smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000000004205 526413988 /nfs/dbraw/zinc/41/39/88/526413988.db2.gz MNXAVQJMUHZRML-UHFFFAOYSA-N 1 0 233.742 3.615 20 30 BHEDRO C=CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000000010229 526413615 /nfs/dbraw/zinc/41/36/15/526413615.db2.gz PHRHDPWFIUXENN-UHFFFAOYSA-N 1 0 233.742 3.615 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]C1CCCCC1 ZINC000006313049 388514316 /nfs/dbraw/zinc/51/43/16/388514316.db2.gz ULAWTGAZEUHUPE-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CCCCC ZINC000006427760 388518939 /nfs/dbraw/zinc/51/89/39/388518939.db2.gz UJXOQDLWEXZDOG-UHFFFAOYSA-N 1 0 233.355 3.531 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CCCCCC ZINC000015416521 642897363 /nfs/dbraw/zinc/89/73/63/642897363.db2.gz FJDBMAMUHVXWJE-UHFFFAOYSA-N 1 0 247.382 3.921 20 30 BHEDRO CC[N@H+](Cc1ccccc1C#N)C1CCCCC1 ZINC000019804714 371189844 /nfs/dbraw/zinc/18/98/44/371189844.db2.gz GRXZISWTJUVFBN-UHFFFAOYSA-N 1 0 242.366 3.713 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000019804722 353164097 /nfs/dbraw/zinc/16/40/97/353164097.db2.gz MOJCZCSCQIMQMD-UHFFFAOYSA-N 1 0 242.366 3.713 20 30 BHEDRO CC[N@H+](Cc1cccc(C#N)c1)C1CCCCC1 ZINC000019804723 353163280 /nfs/dbraw/zinc/16/32/80/353163280.db2.gz PBTYUVYYTWNGDO-UHFFFAOYSA-N 1 0 242.366 3.713 20 30 BHEDRO C=CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000019875794 188058893 /nfs/dbraw/zinc/05/88/93/188058893.db2.gz VOHVDFZCBGKYSV-GFCCVEGCSA-N 1 0 211.308 3.676 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000019875795 385153334 /nfs/dbraw/zinc/15/33/34/385153334.db2.gz VOHVDFZCBGKYSV-LBPRGKRZSA-N 1 0 211.308 3.676 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019875812 385155079 /nfs/dbraw/zinc/15/50/79/385155079.db2.gz YZLVWLGPEVJJIF-INIZCTEOSA-N 1 0 241.309 3.691 20 30 BHEDRO C=CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019875813 166407706 /nfs/dbraw/zinc/40/77/06/166407706.db2.gz YZLVWLGPEVJJIF-MRXNPFEDSA-N 1 0 241.309 3.691 20 30 BHEDRO C=CC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000019875818 188059214 /nfs/dbraw/zinc/05/92/14/188059214.db2.gz DXHUVPDLTQEVTD-SECBINFHSA-N 1 0 229.245 3.542 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000019875819 385155607 /nfs/dbraw/zinc/15/56/07/385155607.db2.gz DXHUVPDLTQEVTD-VIFPVBQESA-N 1 0 229.245 3.542 20 30 BHEDRO C=CC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000019875847 386783243 /nfs/dbraw/zinc/78/32/43/386783243.db2.gz MDOZTRXITDWJHD-GFCCVEGCSA-N 1 0 209.720 3.567 20 30 BHEDRO C=CC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000019875848 386785724 /nfs/dbraw/zinc/78/57/24/386785724.db2.gz MDOZTRXITDWJHD-LBPRGKRZSA-N 1 0 209.720 3.567 20 30 BHEDRO C=CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000019875858 187205620 /nfs/dbraw/zinc/20/56/20/187205620.db2.gz WBBULLVOWYQAPU-SECBINFHSA-N 1 0 229.245 3.542 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019875859 385155677 /nfs/dbraw/zinc/15/56/77/385155677.db2.gz WBBULLVOWYQAPU-VIFPVBQESA-N 1 0 229.245 3.542 20 30 BHEDRO C=CC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000019875860 259391884 /nfs/dbraw/zinc/39/18/84/259391884.db2.gz JTTBXHWQPOMSDO-MRVPVSSYSA-N 1 0 230.138 3.830 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000019875861 541371586 /nfs/dbraw/zinc/37/15/86/541371586.db2.gz JTTBXHWQPOMSDO-QMMMGPOBSA-N 1 0 230.138 3.830 20 30 BHEDRO C=CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000019875862 386785496 /nfs/dbraw/zinc/78/54/96/386785496.db2.gz LGTPOKPBCFORJQ-MRVPVSSYSA-N 1 0 230.138 3.830 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000019875863 386785417 /nfs/dbraw/zinc/78/54/17/386785417.db2.gz LGTPOKPBCFORJQ-QMMMGPOBSA-N 1 0 230.138 3.830 20 30 BHEDRO C=CC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000019875868 386783831 /nfs/dbraw/zinc/78/38/31/386783831.db2.gz SCNONDBZNZWOPL-GFCCVEGCSA-N 1 0 209.720 3.567 20 30 BHEDRO C=CC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000019875869 386785334 /nfs/dbraw/zinc/78/53/34/386785334.db2.gz SCNONDBZNZWOPL-LBPRGKRZSA-N 1 0 209.720 3.567 20 30 BHEDRO C=CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000019875891 188173765 /nfs/dbraw/zinc/17/37/65/188173765.db2.gz FYTPGKXOSSHWNK-CQSZACIVSA-N 1 0 203.329 3.549 20 30 BHEDRO C=CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000019875892 541372072 /nfs/dbraw/zinc/37/20/72/541372072.db2.gz FYTPGKXOSSHWNK-AWEZNQCLSA-N 1 0 203.329 3.549 20 30 BHEDRO C=CC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019876033 187206528 /nfs/dbraw/zinc/20/65/28/187206528.db2.gz MNHISNWDRNHZDR-SECBINFHSA-N 1 0 229.245 3.542 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019876034 386786084 /nfs/dbraw/zinc/78/60/84/386786084.db2.gz MNHISNWDRNHZDR-VIFPVBQESA-N 1 0 229.245 3.542 20 30 BHEDRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(C#N)cc1 ZINC000019878960 388750998 /nfs/dbraw/zinc/75/09/98/388750998.db2.gz VKOPLXBWFFGZSE-GFCCVEGCSA-N 1 0 228.339 3.542 20 30 BHEDRO C[C@H]([NH2+]C1CCCCC1)c1ccc(C#N)cc1 ZINC000019878962 388750801 /nfs/dbraw/zinc/75/08/01/388750801.db2.gz VKOPLXBWFFGZSE-LBPRGKRZSA-N 1 0 228.339 3.542 20 30 BHEDRO N#Cc1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000019909958 590042707 /nfs/dbraw/zinc/04/27/07/590042707.db2.gz GHNAZURSTMMTKA-UHFFFAOYSA-N 1 0 242.366 3.761 20 30 BHEDRO N#Cc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000019910031 181106884 /nfs/dbraw/zinc/10/68/84/181106884.db2.gz MEDKAHXFGDYHFR-UHFFFAOYSA-N 1 0 242.366 3.761 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000019917847 168164173 /nfs/dbraw/zinc/16/41/73/168164173.db2.gz IMKWENMSMYECOJ-UYJPIKCFSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000019917849 168165939 /nfs/dbraw/zinc/16/59/39/168165939.db2.gz IMKWENMSMYECOJ-MFOWVQHXSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000019945251 371205421 /nfs/dbraw/zinc/20/54/21/371205421.db2.gz BPGSJKPPVGTDEW-WWGRRREGSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000019945254 371204800 /nfs/dbraw/zinc/20/48/00/371204800.db2.gz BPGSJKPPVGTDEW-XEZPLFJOSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000019945257 398315148 /nfs/dbraw/zinc/31/51/48/398315148.db2.gz BPGSJKPPVGTDEW-DVOMOZLQSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000019945260 398314798 /nfs/dbraw/zinc/31/47/98/398314798.db2.gz BPGSJKPPVGTDEW-HEHGZKQESA-N 1 0 242.366 3.788 20 30 BHEDRO CCCC[C@@H](CC)C[NH2+]Cc1cccc(C#N)c1 ZINC000020010828 388752751 /nfs/dbraw/zinc/75/27/51/388752751.db2.gz GYRQOOFGXSHUDR-CQSZACIVSA-N 1 0 244.382 3.864 20 30 BHEDRO CCCC[C@H](CC)C[NH2+]Cc1cccc(C#N)c1 ZINC000020010833 387293027 /nfs/dbraw/zinc/29/30/27/387293027.db2.gz GYRQOOFGXSHUDR-AWEZNQCLSA-N 1 0 244.382 3.864 20 30 BHEDRO CC(C)CCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000020022627 259387376 /nfs/dbraw/zinc/38/73/76/259387376.db2.gz RSCMSZWFMIKUMY-CQSZACIVSA-N 1 0 244.382 3.863 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000020022629 259387356 /nfs/dbraw/zinc/38/73/56/259387356.db2.gz RSCMSZWFMIKUMY-AWEZNQCLSA-N 1 0 244.382 3.863 20 30 BHEDRO N#Cc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000020093639 181137592 /nfs/dbraw/zinc/13/75/92/181137592.db2.gz XLGAZENDRCRFDB-UHFFFAOYSA-N 1 0 240.350 3.538 20 30 BHEDRO N#Cc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000020093691 181108820 /nfs/dbraw/zinc/10/88/20/181108820.db2.gz VKZAMGHBPUSGBH-UHFFFAOYSA-N 1 0 240.350 3.538 20 30 BHEDRO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(C#N)cc1 ZINC000020122609 388755033 /nfs/dbraw/zinc/75/50/33/388755033.db2.gz RBPNXYKENDDAOV-CYBMUJFWSA-N 1 0 242.366 3.932 20 30 BHEDRO C[C@H]([NH2+]C1CCCCCC1)c1ccc(C#N)cc1 ZINC000020122610 388754356 /nfs/dbraw/zinc/75/43/56/388754356.db2.gz RBPNXYKENDDAOV-ZDUSSCGKSA-N 1 0 242.366 3.932 20 30 BHEDRO CCCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000020143569 590076808 /nfs/dbraw/zinc/07/68/08/590076808.db2.gz SJOZGBQIFWUXBJ-ZDUSSCGKSA-N 1 0 230.355 3.789 20 30 BHEDRO CCCCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000020143571 590076549 /nfs/dbraw/zinc/07/65/49/590076549.db2.gz SJOZGBQIFWUXBJ-CYBMUJFWSA-N 1 0 230.355 3.789 20 30 BHEDRO C[C@@H](NCCC#N)c1cc(Cl)ccc1Cl ZINC000020199661 385422458 /nfs/dbraw/zinc/42/24/58/385422458.db2.gz PORGADWYUULLAW-MRVPVSSYSA-N 1 0 243.137 3.558 20 30 BHEDRO C[C@H](NCCC#N)c1cc(Cl)ccc1Cl ZINC000020199663 385422302 /nfs/dbraw/zinc/42/23/02/385422302.db2.gz PORGADWYUULLAW-QMMMGPOBSA-N 1 0 243.137 3.558 20 30 BHEDRO C[C@@H](NCCC#N)c1ccc(Cl)cc1Cl ZINC000020199665 385422509 /nfs/dbraw/zinc/42/25/09/385422509.db2.gz HDSTZOWKWFJYAP-MRVPVSSYSA-N 1 0 243.137 3.558 20 30 BHEDRO C[C@H](NCCC#N)c1ccc(Cl)cc1Cl ZINC000020199667 385422547 /nfs/dbraw/zinc/42/25/47/385422547.db2.gz HDSTZOWKWFJYAP-QMMMGPOBSA-N 1 0 243.137 3.558 20 30 BHEDRO N#CCC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000020200170 633810841 /nfs/dbraw/zinc/81/08/41/633810841.db2.gz VLSAFSKUDZRSGX-MRXNPFEDSA-N 1 0 242.366 3.811 20 30 BHEDRO N#CCC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000020200172 633809859 /nfs/dbraw/zinc/80/98/59/633809859.db2.gz VLSAFSKUDZRSGX-INIZCTEOSA-N 1 0 242.366 3.811 20 30 BHEDRO CCCC[NH+](CCCC)Cc1ccc(C#N)cc1 ZINC000020360947 168806703 /nfs/dbraw/zinc/80/67/03/168806703.db2.gz RABVYUNMZITRTM-UHFFFAOYSA-N 1 0 244.382 3.960 20 30 BHEDRO CCCC[NH+](CCCC)Cc1ccccc1C#N ZINC000020360953 259395015 /nfs/dbraw/zinc/39/50/15/259395015.db2.gz HYZLRIGOTHZILM-UHFFFAOYSA-N 1 0 244.382 3.960 20 30 BHEDRO CCCC[NH+](CCCC)Cc1cccc(C#N)c1 ZINC000020360954 259395160 /nfs/dbraw/zinc/39/51/60/259395160.db2.gz FQFOBKOVGLAPTN-UHFFFAOYSA-N 1 0 244.382 3.960 20 30 BHEDRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000020545966 259399453 /nfs/dbraw/zinc/39/94/53/259399453.db2.gz LGVBOKYRPAIGPA-CQSZACIVSA-N 1 0 244.382 3.863 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000020545967 259399805 /nfs/dbraw/zinc/39/98/05/259399805.db2.gz LGVBOKYRPAIGPA-AWEZNQCLSA-N 1 0 244.382 3.863 20 30 BHEDRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(C#N)cc1 ZINC000021009185 398049755 /nfs/dbraw/zinc/04/97/55/398049755.db2.gz VUVGGBAODKWEMM-CQSZACIVSA-N 1 0 244.382 3.864 20 30 BHEDRO CCCC[C@H](CC)C[NH2+]Cc1ccc(C#N)cc1 ZINC000021009186 259418781 /nfs/dbraw/zinc/41/87/81/259418781.db2.gz VUVGGBAODKWEMM-AWEZNQCLSA-N 1 0 244.382 3.864 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C(CC)CC)cc1 ZINC000021013989 386206315 /nfs/dbraw/zinc/20/63/15/386206315.db2.gz SVFIQMUJMWHTJL-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCC)cc1 ZINC000021802627 187205587 /nfs/dbraw/zinc/20/55/87/187205587.db2.gz NNKICIZTEHUYPP-CYBMUJFWSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCC)cc1 ZINC000021802630 187371263 /nfs/dbraw/zinc/37/12/63/187371263.db2.gz NNKICIZTEHUYPP-ZDUSSCGKSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000028243389 166359727 /nfs/dbraw/zinc/35/97/27/166359727.db2.gz PSARTERNWYGCNM-SFHVURJKSA-N 1 0 249.357 3.820 20 30 BHEDRO C=CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000028243396 166358842 /nfs/dbraw/zinc/35/88/42/166358842.db2.gz PSARTERNWYGCNM-GOSISDBHSA-N 1 0 249.357 3.820 20 30 BHEDRO CC(C)[NH+](CC#Cc1ccc(Cl)cc1)C(C)C ZINC000033853840 188233870 /nfs/dbraw/zinc/23/38/70/188233870.db2.gz UIWMMSMQYSULBY-UHFFFAOYSA-N 1 0 249.785 3.810 20 30 BHEDRO C=CCC[N@@H+](CC(=C)C)Cc1ccccc1 ZINC000034597511 357920070 /nfs/dbraw/zinc/92/00/70/357920070.db2.gz VUEKBOTULDUJRI-UHFFFAOYSA-N 1 0 215.340 3.641 20 30 BHEDRO C=CC[N@@H+](CC=C(C)C)Cc1ccccc1 ZINC000034623249 355906224 /nfs/dbraw/zinc/90/62/24/355906224.db2.gz AWSSEJSSMAINFX-UHFFFAOYSA-N 1 0 215.340 3.641 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000034722405 177116855 /nfs/dbraw/zinc/11/68/55/177116855.db2.gz IANFTYXYXIWKJT-OKILXGFUSA-N 1 0 242.366 3.516 20 30 BHEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(CC#N)cc1 ZINC000034722407 177132543 /nfs/dbraw/zinc/13/25/43/177132543.db2.gz IANFTYXYXIWKJT-KBPBESRZSA-N 1 0 242.366 3.516 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(CC#N)cc1 ZINC000034722409 176115971 /nfs/dbraw/zinc/11/59/71/176115971.db2.gz IANFTYXYXIWKJT-ZIAGYGMSSA-N 1 0 242.366 3.516 20 30 BHEDRO C=CCCC[N@H+](CC=C)Cc1ccccc1 ZINC000034874745 342732987 /nfs/dbraw/zinc/73/29/87/342732987.db2.gz CDBLWBFHSKJGIL-UHFFFAOYSA-N 1 0 215.340 3.641 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]C(CC)CC ZINC000034991221 387005475 /nfs/dbraw/zinc/00/54/75/387005475.db2.gz OWNUKLOWBOZONY-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CCC ZINC000034991545 387004939 /nfs/dbraw/zinc/00/49/39/387004939.db2.gz ZAMFVWJZZPVXHC-CYBMUJFWSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CCC ZINC000034991546 387005127 /nfs/dbraw/zinc/00/51/27/387005127.db2.gz ZAMFVWJZZPVXHC-ZDUSSCGKSA-N 1 0 233.355 3.530 20 30 BHEDRO N#CCC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000035009888 636365689 /nfs/dbraw/zinc/36/56/89/636365689.db2.gz ZHAHILHATLIGPI-GJZGRUSLSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000035009889 636365947 /nfs/dbraw/zinc/36/59/47/636365947.db2.gz ZHAHILHATLIGPI-CABCVRRESA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000035009890 636365919 /nfs/dbraw/zinc/36/59/19/636365919.db2.gz ZHAHILHATLIGPI-LSDHHAIUSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCC[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000035009891 636365722 /nfs/dbraw/zinc/36/57/22/636365722.db2.gz ZHAHILHATLIGPI-HUUCEWRRSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045292 384393669 /nfs/dbraw/zinc/39/36/69/384393669.db2.gz FWOSRRUKBZMKLJ-ZETCQYMHSA-N 1 0 248.128 3.969 20 30 BHEDRO C=CC[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045294 384393508 /nfs/dbraw/zinc/39/35/08/384393508.db2.gz FWOSRRUKBZMKLJ-SSDOTTSWSA-N 1 0 248.128 3.969 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046296 384392632 /nfs/dbraw/zinc/39/26/32/384392632.db2.gz STURRBHBFSPOIO-CYBMUJFWSA-N 1 0 221.731 3.567 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046297 384394322 /nfs/dbraw/zinc/39/43/22/384394322.db2.gz STURRBHBFSPOIO-ZDUSSCGKSA-N 1 0 221.731 3.567 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000035141429 636860096 /nfs/dbraw/zinc/86/00/96/636860096.db2.gz OSPOERPILHKZNU-CYBMUJFWSA-N 1 0 230.355 3.617 20 30 BHEDRO CCCCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000035141432 636859187 /nfs/dbraw/zinc/85/91/87/636859187.db2.gz OSPOERPILHKZNU-ZDUSSCGKSA-N 1 0 230.355 3.617 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000035141482 636859997 /nfs/dbraw/zinc/85/99/97/636859997.db2.gz DOONMKWCSIEDQQ-CYBMUJFWSA-N 1 0 230.355 3.617 20 30 BHEDRO CCCCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000035141485 636860211 /nfs/dbraw/zinc/86/02/11/636860211.db2.gz DOONMKWCSIEDQQ-ZDUSSCGKSA-N 1 0 230.355 3.617 20 30 BHEDRO C[N@H+](Cc1ccc(C#N)cc1)C1CCCCCC1 ZINC000035175568 386507084 /nfs/dbraw/zinc/50/70/84/386507084.db2.gz PXVNATMSPKVCGD-UHFFFAOYSA-N 1 0 242.366 3.713 20 30 BHEDRO C[N@H+](Cc1ccccc1C#N)C1CCCCCC1 ZINC000035175662 386512044 /nfs/dbraw/zinc/51/20/44/386512044.db2.gz LJHISJPSQJYNMT-UHFFFAOYSA-N 1 0 242.366 3.713 20 30 BHEDRO C[N@H+](Cc1cccc(C#N)c1)C1CCCCCC1 ZINC000035175664 386512335 /nfs/dbraw/zinc/51/23/35/386512335.db2.gz VLGMYSGUVYFJNU-UHFFFAOYSA-N 1 0 242.366 3.713 20 30 BHEDRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000035256379 262841392 /nfs/dbraw/zinc/84/13/92/262841392.db2.gz ONTZZGAUUPAQOD-ZFWWWQNUSA-N 1 0 240.350 3.565 20 30 BHEDRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000035256380 262841494 /nfs/dbraw/zinc/84/14/94/262841494.db2.gz ONTZZGAUUPAQOD-HIFRSBDPSA-N 1 0 240.350 3.565 20 30 BHEDRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000035256381 398323974 /nfs/dbraw/zinc/32/39/74/398323974.db2.gz ONTZZGAUUPAQOD-DZGCQCFKSA-N 1 0 240.350 3.565 20 30 BHEDRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000035256382 398323969 /nfs/dbraw/zinc/32/39/69/398323969.db2.gz ONTZZGAUUPAQOD-UKRRQHHQSA-N 1 0 240.350 3.565 20 30 BHEDRO CCC(CC)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000035256393 262841523 /nfs/dbraw/zinc/84/15/23/262841523.db2.gz QVMDRAQKQDZJGU-LBPRGKRZSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC(CC)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000035256394 398324152 /nfs/dbraw/zinc/32/41/52/398324152.db2.gz QVMDRAQKQDZJGU-GFCCVEGCSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000035256715 262841529 /nfs/dbraw/zinc/84/15/29/262841529.db2.gz QLPKYMVXNCKMNM-CVEARBPZSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000035256716 262841206 /nfs/dbraw/zinc/84/12/06/262841206.db2.gz QLPKYMVXNCKMNM-HOTGVXAUSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000035256717 398324156 /nfs/dbraw/zinc/32/41/56/398324156.db2.gz QLPKYMVXNCKMNM-HZPDHXFCSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000035256718 398323998 /nfs/dbraw/zinc/32/39/98/398323998.db2.gz QLPKYMVXNCKMNM-JKSUJKDBSA-N 1 0 242.366 3.617 20 30 BHEDRO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000035257244 356450410 /nfs/dbraw/zinc/45/04/10/356450410.db2.gz DQOWRKXYNMRRJD-UHFFFAOYSA-N 1 0 244.382 3.863 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccco1 ZINC000035739027 387806959 /nfs/dbraw/zinc/80/69/59/387806959.db2.gz VVANBVZTMUTVGG-RYUDHWBXSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(C#N)cc1 ZINC000035739028 358789556 /nfs/dbraw/zinc/78/95/56/358789556.db2.gz VVANBVZTMUTVGG-NEPJUHHUSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccco1 ZINC000035739029 358789472 /nfs/dbraw/zinc/78/94/72/358789472.db2.gz VVANBVZTMUTVGG-NWDGAFQWSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccco1 ZINC000035739030 358789459 /nfs/dbraw/zinc/78/94/59/358789459.db2.gz VVANBVZTMUTVGG-VXGBXAGGSA-N 1 0 240.306 3.563 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000036991784 262768071 /nfs/dbraw/zinc/76/80/71/262768071.db2.gz VDDBFLVPDINBOB-XQQFMLRXSA-N 1 0 230.355 3.643 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000036991786 388084943 /nfs/dbraw/zinc/08/49/43/388084943.db2.gz VDDBFLVPDINBOB-AVGNSLFASA-N 1 0 230.355 3.643 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000037031639 324223648 /nfs/dbraw/zinc/22/36/48/324223648.db2.gz HMFWXAMLLPABIU-CVEARBPZSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000037031640 324223537 /nfs/dbraw/zinc/22/35/37/324223537.db2.gz HMFWXAMLLPABIU-HOTGVXAUSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000037031641 361593743 /nfs/dbraw/zinc/59/37/43/361593743.db2.gz HMFWXAMLLPABIU-HZPDHXFCSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000037031642 351916495 /nfs/dbraw/zinc/91/64/95/351916495.db2.gz HMFWXAMLLPABIU-JKSUJKDBSA-N 1 0 242.366 3.617 20 30 BHEDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037100687 361667972 /nfs/dbraw/zinc/66/79/72/361667972.db2.gz LWVZXCOJKNSSGE-UHFFFAOYSA-N 1 0 244.382 3.863 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037118151 323177039 /nfs/dbraw/zinc/17/70/39/323177039.db2.gz LJORMOQZGUDQPQ-OLZOCXBDSA-N 1 0 230.355 3.643 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037118152 323177099 /nfs/dbraw/zinc/17/70/99/323177099.db2.gz LJORMOQZGUDQPQ-STQMWFEESA-N 1 0 230.355 3.643 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037118153 323177023 /nfs/dbraw/zinc/17/70/23/323177023.db2.gz LJORMOQZGUDQPQ-CHWSQXEVSA-N 1 0 230.355 3.643 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037118154 323176994 /nfs/dbraw/zinc/17/69/94/323176994.db2.gz LJORMOQZGUDQPQ-QWHCGFSZSA-N 1 0 230.355 3.643 20 30 BHEDRO C=CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000037184969 323191398 /nfs/dbraw/zinc/19/13/98/323191398.db2.gz AGHDKTJISOXDFT-LLVKDONJSA-N 1 0 215.296 3.578 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000037184970 323191427 /nfs/dbraw/zinc/19/14/27/323191427.db2.gz AGHDKTJISOXDFT-NSHDSACASA-N 1 0 215.296 3.578 20 30 BHEDRO C=CC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000037185077 358469862 /nfs/dbraw/zinc/46/98/62/358469862.db2.gz BSZKEHNPOHMRDH-AWEZNQCLSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000037185078 358469304 /nfs/dbraw/zinc/46/93/04/358469304.db2.gz BSZKEHNPOHMRDH-CQSZACIVSA-N 1 0 217.356 3.940 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C)CC1)c1cccc(C#N)c1 ZINC000037201587 584883114 /nfs/dbraw/zinc/88/31/14/584883114.db2.gz ALAQOPYXDGBSIM-UYJPIKCFSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+]C1CCC(C)CC1)c1cccc(C#N)c1 ZINC000037201588 584882906 /nfs/dbraw/zinc/88/29/06/584882906.db2.gz ALAQOPYXDGBSIM-MFOWVQHXSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000037211573 322902548 /nfs/dbraw/zinc/90/25/48/322902548.db2.gz BYIGTYJYTIGCMK-WWGRRREGSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000037211574 388237427 /nfs/dbraw/zinc/23/74/27/388237427.db2.gz BYIGTYJYTIGCMK-XEZPLFJOSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000037211575 388237640 /nfs/dbraw/zinc/23/76/40/388237640.db2.gz BYIGTYJYTIGCMK-DVOMOZLQSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000037211576 324435845 /nfs/dbraw/zinc/43/58/45/324435845.db2.gz BYIGTYJYTIGCMK-HEHGZKQESA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+]C1CCCCCC1)c1cccc(C#N)c1 ZINC000037218387 388237431 /nfs/dbraw/zinc/23/74/31/388237431.db2.gz UERLYJUKUIVOHP-ZDUSSCGKSA-N 1 0 242.366 3.932 20 30 BHEDRO C[C@@H]([NH2+]C1CCCCCC1)c1cccc(C#N)c1 ZINC000037218388 388237377 /nfs/dbraw/zinc/23/73/77/388237377.db2.gz UERLYJUKUIVOHP-CYBMUJFWSA-N 1 0 242.366 3.932 20 30 BHEDRO CCCCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037232647 712554710 /nfs/dbraw/zinc/55/47/10/712554710.db2.gz FSSBXSUTPHBWMT-ZDUSSCGKSA-N 1 0 230.355 3.789 20 30 BHEDRO CCCCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037232648 712554696 /nfs/dbraw/zinc/55/46/96/712554696.db2.gz FSSBXSUTPHBWMT-CYBMUJFWSA-N 1 0 230.355 3.789 20 30 BHEDRO CC(C)(C)C[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000037240394 383961152 /nfs/dbraw/zinc/96/11/52/383961152.db2.gz IAGAXWIKUHEWTL-AWEZNQCLSA-N 1 0 230.355 3.667 20 30 BHEDRO CC(C)(C)C[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000037240396 383961909 /nfs/dbraw/zinc/96/19/09/383961909.db2.gz IAGAXWIKUHEWTL-CQSZACIVSA-N 1 0 230.355 3.667 20 30 BHEDRO C[C@H]([NH2+]CC1CCCCC1)c1ccc(C#N)cc1 ZINC000037253135 388241946 /nfs/dbraw/zinc/24/19/46/388241946.db2.gz LNJSUVVLRPJRPH-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(C#N)cc1 ZINC000037253137 324485316 /nfs/dbraw/zinc/48/53/16/324485316.db2.gz LNJSUVVLRPJRPH-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000037253139 324485320 /nfs/dbraw/zinc/48/53/20/324485320.db2.gz FMPNDXVUJQPVBJ-WWGRRREGSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000037253144 397999804 /nfs/dbraw/zinc/99/98/04/397999804.db2.gz FMPNDXVUJQPVBJ-DVOMOZLQSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+]CC1CCCCC1)c1cccc(C#N)c1 ZINC000037255319 176838561 /nfs/dbraw/zinc/83/85/61/176838561.db2.gz HBBCMLSUVLRUEK-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@@H]([NH2+]CC1CCCCC1)c1cccc(C#N)c1 ZINC000037255321 175869532 /nfs/dbraw/zinc/86/95/32/175869532.db2.gz HBBCMLSUVLRUEK-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CC(C)C ZINC000037255419 324495943 /nfs/dbraw/zinc/49/59/43/324495943.db2.gz GXNQSMYHDAVKKC-CQSZACIVSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CC(C)C ZINC000037255421 324495931 /nfs/dbraw/zinc/49/59/31/324495931.db2.gz GXNQSMYHDAVKKC-AWEZNQCLSA-N 1 0 247.382 3.776 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037255931 388242140 /nfs/dbraw/zinc/24/21/40/388242140.db2.gz ORWCYBCINBIRAI-OLZOCXBDSA-N 1 0 230.355 3.643 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037255933 388242562 /nfs/dbraw/zinc/24/25/62/388242562.db2.gz ORWCYBCINBIRAI-STQMWFEESA-N 1 0 230.355 3.643 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037255935 324495702 /nfs/dbraw/zinc/49/57/02/324495702.db2.gz ORWCYBCINBIRAI-CHWSQXEVSA-N 1 0 230.355 3.643 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037255937 388242521 /nfs/dbraw/zinc/24/25/21/388242521.db2.gz ORWCYBCINBIRAI-QWHCGFSZSA-N 1 0 230.355 3.643 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000037260559 388245653 /nfs/dbraw/zinc/24/56/53/388245653.db2.gz VXXMIHNHEYEXMQ-RYUDHWBXSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1cccc(C#N)c1 ZINC000037260561 361795311 /nfs/dbraw/zinc/79/53/11/361795311.db2.gz VXXMIHNHEYEXMQ-NEPJUHHUSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000037260563 361795217 /nfs/dbraw/zinc/79/52/17/361795217.db2.gz VXXMIHNHEYEXMQ-NWDGAFQWSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000037260565 361795431 /nfs/dbraw/zinc/79/54/31/361795431.db2.gz VXXMIHNHEYEXMQ-VXGBXAGGSA-N 1 0 240.306 3.563 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](C)CC(C)C)cc1 ZINC000037260737 323204443 /nfs/dbraw/zinc/20/44/43/323204443.db2.gz DXBDNGJJABOIPF-CQSZACIVSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037260739 323204379 /nfs/dbraw/zinc/20/43/79/323204379.db2.gz DXBDNGJJABOIPF-AWEZNQCLSA-N 1 0 247.382 3.776 20 30 BHEDRO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037284459 388247585 /nfs/dbraw/zinc/24/75/85/388247585.db2.gz KNNYHNIZZIJTEG-OLZOCXBDSA-N 1 0 230.355 3.788 20 30 BHEDRO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037284460 324565606 /nfs/dbraw/zinc/56/56/06/324565606.db2.gz KNNYHNIZZIJTEG-STQMWFEESA-N 1 0 230.355 3.788 20 30 BHEDRO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037284461 388247768 /nfs/dbraw/zinc/24/77/68/388247768.db2.gz KNNYHNIZZIJTEG-CHWSQXEVSA-N 1 0 230.355 3.788 20 30 BHEDRO CCCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037284462 388247605 /nfs/dbraw/zinc/24/76/05/388247605.db2.gz KNNYHNIZZIJTEG-QWHCGFSZSA-N 1 0 230.355 3.788 20 30 BHEDRO N#Cc1ccc(C[NH2+]C2CCCCCC2)c(F)c1 ZINC000037389415 181107024 /nfs/dbraw/zinc/10/70/24/181107024.db2.gz FPGAOOGBRVAKSG-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO N#Cc1ccc(F)c(C[NH2+]C2CCCCCC2)c1 ZINC000037389417 181113166 /nfs/dbraw/zinc/11/31/66/181113166.db2.gz GFSIYHIOMHGHTG-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037488847 712651086 /nfs/dbraw/zinc/65/10/86/712651086.db2.gz LBFKZEYZALCTSI-UHFFFAOYSA-N 1 0 249.663 3.548 20 30 BHEDRO N#Cc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000037501041 324570161 /nfs/dbraw/zinc/57/01/61/324570161.db2.gz ZQJIKEICIPRDGY-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO CCC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000037505890 324571057 /nfs/dbraw/zinc/57/10/57/324571057.db2.gz HUDFWBLUYVXXHJ-UHFFFAOYSA-N 1 0 242.366 3.617 20 30 BHEDRO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037508416 169360017 /nfs/dbraw/zinc/36/00/17/169360017.db2.gz QWBIOBVYMAVZQZ-OLZOCXBDSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037508417 388886235 /nfs/dbraw/zinc/88/62/35/388886235.db2.gz QWBIOBVYMAVZQZ-STQMWFEESA-N 1 0 230.355 3.645 20 30 BHEDRO CCC[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037508418 169360822 /nfs/dbraw/zinc/36/08/22/169360822.db2.gz QWBIOBVYMAVZQZ-CHWSQXEVSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037508419 388886572 /nfs/dbraw/zinc/88/65/72/388886572.db2.gz QWBIOBVYMAVZQZ-QWHCGFSZSA-N 1 0 230.355 3.645 20 30 BHEDRO C[C@H]([NH2+]C1CCCCC1)c1cccc(C#N)c1 ZINC000037509936 388889741 /nfs/dbraw/zinc/88/97/41/388889741.db2.gz ONJMLWYYDGKIMG-LBPRGKRZSA-N 1 0 228.339 3.542 20 30 BHEDRO C[C@@H]([NH2+]C1CCCCC1)c1cccc(C#N)c1 ZINC000037509938 175860388 /nfs/dbraw/zinc/86/03/88/175860388.db2.gz ONJMLWYYDGKIMG-GFCCVEGCSA-N 1 0 228.339 3.542 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000037510546 324570620 /nfs/dbraw/zinc/57/06/20/324570620.db2.gz JISFRFXNPKLZDW-WWGRRREGSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000037510549 324570692 /nfs/dbraw/zinc/57/06/92/324570692.db2.gz JISFRFXNPKLZDW-DVOMOZLQSA-N 1 0 242.366 3.788 20 30 BHEDRO C=C(Br)C[NH2+]C1CCCCCCC1 ZINC000037680981 364517021 /nfs/dbraw/zinc/51/70/21/364517021.db2.gz PADPZOVXSCVECG-UHFFFAOYSA-N 1 0 246.192 3.598 20 30 BHEDRO C[C@H]([NH2+]CCC1CCCC1)c1ccc(C#N)cc1 ZINC000037739401 176840993 /nfs/dbraw/zinc/84/09/93/176840993.db2.gz TXMMAUJJLFBEJI-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@@H]([NH2+]CCC1CCCC1)c1ccc(C#N)cc1 ZINC000037739402 388647837 /nfs/dbraw/zinc/64/78/37/388647837.db2.gz TXMMAUJJLFBEJI-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@H]([NH2+]CCC1CCCC1)c1cccc(C#N)c1 ZINC000037739779 388616636 /nfs/dbraw/zinc/61/66/36/388616636.db2.gz PANBZVCMNBYBPA-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@@H]([NH2+]CCC1CCCC1)c1cccc(C#N)c1 ZINC000037739780 388617521 /nfs/dbraw/zinc/61/75/21/388617521.db2.gz PANBZVCMNBYBPA-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO N#Cc1ccc(C[NH2+]CCC2CCCCC2)cc1 ZINC000037739855 181108135 /nfs/dbraw/zinc/10/81/35/181108135.db2.gz YSKGNCVUNVJEAH-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO CCCC(CCC)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748308 712754759 /nfs/dbraw/zinc/75/47/59/712754759.db2.gz WXTDAOVZYBYZMC-UHFFFAOYSA-N 1 0 230.355 3.617 20 30 BHEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748311 712754747 /nfs/dbraw/zinc/75/47/47/712754747.db2.gz AGVXMOANDZPTQV-CZUORRHYSA-N 1 0 244.382 3.863 20 30 BHEDRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748312 171296037 /nfs/dbraw/zinc/29/60/37/171296037.db2.gz AGVXMOANDZPTQV-XJKSGUPXSA-N 1 0 244.382 3.863 20 30 BHEDRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748313 712754665 /nfs/dbraw/zinc/75/46/65/712754665.db2.gz AGVXMOANDZPTQV-CJNGLKHVSA-N 1 0 244.382 3.863 20 30 BHEDRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748314 171298858 /nfs/dbraw/zinc/29/88/58/171298858.db2.gz AGVXMOANDZPTQV-BBRMVZONSA-N 1 0 244.382 3.863 20 30 BHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000037748449 398147740 /nfs/dbraw/zinc/14/77/40/398147740.db2.gz IBHXVVLUCUGFCK-ZDUSSCGKSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000037748450 175896544 /nfs/dbraw/zinc/89/65/44/175896544.db2.gz IBHXVVLUCUGFCK-CYBMUJFWSA-N 1 0 242.366 3.617 20 30 BHEDRO CCC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000037748513 364571729 /nfs/dbraw/zinc/57/17/29/364571729.db2.gz GWHGPIWNUPBYTJ-UHFFFAOYSA-N 1 0 242.366 3.617 20 30 BHEDRO CCCC(CCC)[NH2+]Cc1cccc(C#N)c1 ZINC000037748750 711888528 /nfs/dbraw/zinc/88/85/28/711888528.db2.gz WOGICEGOWHBHAG-UHFFFAOYSA-N 1 0 230.355 3.617 20 30 BHEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000037748753 364570335 /nfs/dbraw/zinc/57/03/35/364570335.db2.gz XQAICACZIGQBQE-CZUORRHYSA-N 1 0 244.382 3.863 20 30 BHEDRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cccc(C#N)c1 ZINC000037748754 171296360 /nfs/dbraw/zinc/29/63/60/171296360.db2.gz XQAICACZIGQBQE-XJKSGUPXSA-N 1 0 244.382 3.863 20 30 BHEDRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000037748755 388618755 /nfs/dbraw/zinc/61/87/55/388618755.db2.gz XQAICACZIGQBQE-CJNGLKHVSA-N 1 0 244.382 3.863 20 30 BHEDRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000037748756 171299530 /nfs/dbraw/zinc/29/95/30/171299530.db2.gz XQAICACZIGQBQE-BBRMVZONSA-N 1 0 244.382 3.863 20 30 BHEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCCCC1 ZINC000037748900 398148462 /nfs/dbraw/zinc/14/84/62/398148462.db2.gz RZGMYPJWWZMISD-ZDUSSCGKSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCCCC1 ZINC000037748901 175899977 /nfs/dbraw/zinc/89/99/77/175899977.db2.gz RZGMYPJWWZMISD-CYBMUJFWSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc(C#N)cc1 ZINC000037749445 324574183 /nfs/dbraw/zinc/57/41/83/324574183.db2.gz OSORZMSCUBMXGF-LBPRGKRZSA-N 1 0 230.355 3.645 20 30 BHEDRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(C#N)cc1 ZINC000037749446 324574148 /nfs/dbraw/zinc/57/41/48/324574148.db2.gz OSORZMSCUBMXGF-GFCCVEGCSA-N 1 0 230.355 3.645 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000037978956 712794108 /nfs/dbraw/zinc/79/41/08/712794108.db2.gz CFJPHVCOBVSVGB-VIFPVBQESA-N 1 0 230.138 3.743 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000037978957 712794134 /nfs/dbraw/zinc/79/41/34/712794134.db2.gz CFJPHVCOBVSVGB-SECBINFHSA-N 1 0 230.138 3.743 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000037978958 712794235 /nfs/dbraw/zinc/79/42/35/712794235.db2.gz MTDCFBHXXWMYHP-LLVKDONJSA-N 1 0 223.747 3.652 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000037978959 712794327 /nfs/dbraw/zinc/79/43/27/712794327.db2.gz MTDCFBHXXWMYHP-NSHDSACASA-N 1 0 223.747 3.652 20 30 BHEDRO C=CCOc1ccc(C[NH2+]CCCC(C)C)cc1 ZINC000037985018 188177121 /nfs/dbraw/zinc/17/71/21/188177121.db2.gz VONVCRHMXRPUEF-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CCCC(C)C ZINC000037985023 350295472 /nfs/dbraw/zinc/29/54/72/350295472.db2.gz PSYPJJVITLQEBP-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO CC(C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000038093314 166815715 /nfs/dbraw/zinc/81/57/15/166815715.db2.gz HBJRIFKDOVLINR-ZDUSSCGKSA-N 1 0 230.355 3.645 20 30 BHEDRO CC(C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000038093315 384494544 /nfs/dbraw/zinc/49/45/44/384494544.db2.gz HBJRIFKDOVLINR-CYBMUJFWSA-N 1 0 230.355 3.645 20 30 BHEDRO CC(C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000038093720 384499560 /nfs/dbraw/zinc/49/95/60/384499560.db2.gz QWSOFQNPRXIQNI-ZDUSSCGKSA-N 1 0 230.355 3.645 20 30 BHEDRO CC(C)CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000038093721 384498543 /nfs/dbraw/zinc/49/85/43/384498543.db2.gz QWSOFQNPRXIQNI-CYBMUJFWSA-N 1 0 230.355 3.645 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccccc1 ZINC000039169160 385087317 /nfs/dbraw/zinc/08/73/17/385087317.db2.gz GSMCIOTVJSEPSR-OCCSQVGLSA-N 1 0 203.329 3.692 20 30 BHEDRO C=C(C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000041582341 342996088 /nfs/dbraw/zinc/99/60/88/342996088.db2.gz AUGWSUOFSVPFER-UHFFFAOYSA-N 1 0 237.346 3.942 20 30 BHEDRO CC(C)C[NH+](Cc1ccc(C#N)cc1)CC(C)C ZINC000041636055 322836391 /nfs/dbraw/zinc/83/63/91/322836391.db2.gz MFVSUANQERPSLC-UHFFFAOYSA-N 1 0 244.382 3.672 20 30 BHEDRO CC(C)C[NH+](Cc1ccccc1C#N)CC(C)C ZINC000041636061 388438098 /nfs/dbraw/zinc/43/80/98/388438098.db2.gz ATPIWIHJYPSPTD-UHFFFAOYSA-N 1 0 244.382 3.672 20 30 BHEDRO CC(C)C[NH+](Cc1cccc(C#N)c1)CC(C)C ZINC000041636083 388438046 /nfs/dbraw/zinc/43/80/46/388438046.db2.gz WIJICZOQBKPEIO-UHFFFAOYSA-N 1 0 244.382 3.672 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C2(C)CCCC2)cc1 ZINC000042176680 342995725 /nfs/dbraw/zinc/99/57/25/342995725.db2.gz XKGPRGHEOZUWTC-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO CC1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000042211409 168159405 /nfs/dbraw/zinc/15/94/05/168159405.db2.gz BTMFREKYCOPTBJ-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO CC1CCC([N@H+](C)Cc2ccccc2C#N)CC1 ZINC000042211412 168159502 /nfs/dbraw/zinc/15/95/02/168159502.db2.gz QCTOXKIDXOHSEH-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO CC1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000042211418 168160065 /nfs/dbraw/zinc/16/00/65/168160065.db2.gz WKESYJMIINFBCV-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)CCCC(C)C ZINC000042222304 637085417 /nfs/dbraw/zinc/08/54/17/637085417.db2.gz ZOTWASGXIMEPOP-LLVKDONJSA-N 1 0 203.757 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)CCCC(C)C ZINC000042222305 637085812 /nfs/dbraw/zinc/08/58/12/637085812.db2.gz ZOTWASGXIMEPOP-NSHDSACASA-N 1 0 203.757 3.543 20 30 BHEDRO CCN(CCCCC#N)c1ccccc1C ZINC000042222646 384208038 /nfs/dbraw/zinc/20/80/38/384208038.db2.gz HXDMUAWRQRYWEH-UHFFFAOYSA-N 1 0 216.328 3.515 20 30 BHEDRO CC(C)[N@H+](CCCCC#N)Cc1ccccc1 ZINC000042223026 384207790 /nfs/dbraw/zinc/20/77/90/384207790.db2.gz UBNPHKOCCYWJNI-UHFFFAOYSA-N 1 0 230.355 3.591 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000042224775 637087972 /nfs/dbraw/zinc/08/79/72/637087972.db2.gz NMDHOPUOVZNDRW-VIFPVBQESA-N 1 0 230.138 3.743 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000042224777 637086321 /nfs/dbraw/zinc/08/63/21/637086321.db2.gz NMDHOPUOVZNDRW-SECBINFHSA-N 1 0 230.138 3.743 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1ccccc1Cl ZINC000042224798 487691485 /nfs/dbraw/zinc/69/14/85/487691485.db2.gz BZTKGHQZSAXUGC-NSHDSACASA-N 1 0 236.746 3.684 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1ccccc1Cl ZINC000042224800 175873939 /nfs/dbraw/zinc/87/39/39/175873939.db2.gz BZTKGHQZSAXUGC-LLVKDONJSA-N 1 0 236.746 3.684 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1cccc(Cl)c1 ZINC000042224802 176842074 /nfs/dbraw/zinc/84/20/74/176842074.db2.gz UTZLEOARDBLNKO-NSHDSACASA-N 1 0 236.746 3.684 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1cccc(Cl)c1 ZINC000042224804 175874159 /nfs/dbraw/zinc/87/41/59/175874159.db2.gz UTZLEOARDBLNKO-LLVKDONJSA-N 1 0 236.746 3.684 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1 ZINC000042224808 487691234 /nfs/dbraw/zinc/69/12/34/487691234.db2.gz APUHTFZVRYKNTH-NSHDSACASA-N 1 0 236.746 3.684 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1 ZINC000042224810 175874189 /nfs/dbraw/zinc/87/41/89/175874189.db2.gz APUHTFZVRYKNTH-LLVKDONJSA-N 1 0 236.746 3.684 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1 ZINC000042224820 487691718 /nfs/dbraw/zinc/69/17/18/487691718.db2.gz IHMJYTFWPVYABI-CYBMUJFWSA-N 1 0 230.355 3.593 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+]CCCCC#N)cc1 ZINC000042224822 487691241 /nfs/dbraw/zinc/69/12/41/487691241.db2.gz IHMJYTFWPVYABI-ZDUSSCGKSA-N 1 0 230.355 3.593 20 30 BHEDRO C[N@@H+](Cc1ccc(C#N)cc1)CC1CCCCC1 ZINC000042238303 388275159 /nfs/dbraw/zinc/27/51/59/388275159.db2.gz HORZJPGSGWCRGN-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C[N@@H+](Cc1ccccc1C#N)CC1CCCCC1 ZINC000042238304 388275015 /nfs/dbraw/zinc/27/50/15/388275015.db2.gz AQYSCJJKWKZWFR-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C[N@@H+](Cc1cccc(C#N)c1)CC1CCCCC1 ZINC000042238499 388274644 /nfs/dbraw/zinc/27/46/44/388274644.db2.gz ZLOJWEAYIBCVMB-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000042240520 176140576 /nfs/dbraw/zinc/14/05/76/176140576.db2.gz HKVOLPLBDCFBOS-CJNGLKHVSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000042240521 177134059 /nfs/dbraw/zinc/13/40/59/177134059.db2.gz HKVOLPLBDCFBOS-BBRMVZONSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000042240522 176120288 /nfs/dbraw/zinc/12/02/88/176120288.db2.gz HKVOLPLBDCFBOS-CZUORRHYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000042240523 177120089 /nfs/dbraw/zinc/12/00/89/177120089.db2.gz HKVOLPLBDCFBOS-XJKSGUPXSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000042240525 177134563 /nfs/dbraw/zinc/13/45/63/177134563.db2.gz QTWCCOHGJHPFOP-BBRMVZONSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000042240526 176121201 /nfs/dbraw/zinc/12/12/01/176121201.db2.gz QTWCCOHGJHPFOP-CZUORRHYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000042240527 177121173 /nfs/dbraw/zinc/12/11/73/177121173.db2.gz QTWCCOHGJHPFOP-XJKSGUPXSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000042240528 388275032 /nfs/dbraw/zinc/27/50/32/388275032.db2.gz PQTQXLPLLYWNLK-CJNGLKHVSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000042240529 388274721 /nfs/dbraw/zinc/27/47/21/388274721.db2.gz PQTQXLPLLYWNLK-BBRMVZONSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000042240530 388274976 /nfs/dbraw/zinc/27/49/76/388274976.db2.gz PQTQXLPLLYWNLK-CZUORRHYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000042240531 388274833 /nfs/dbraw/zinc/27/48/33/388274833.db2.gz PQTQXLPLLYWNLK-XJKSGUPXSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1C#N ZINC000042254575 361977886 /nfs/dbraw/zinc/97/78/86/361977886.db2.gz PRYDYFILWVDSPM-UHFFFAOYSA-N 1 0 244.382 3.863 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000042269255 641549881 /nfs/dbraw/zinc/54/98/81/641549881.db2.gz WNGXYFFJAGPEAT-GFCCVEGCSA-N 1 0 248.345 3.756 20 30 BHEDRO CCCCC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000042269258 641549983 /nfs/dbraw/zinc/54/99/83/641549983.db2.gz WNGXYFFJAGPEAT-LBPRGKRZSA-N 1 0 248.345 3.756 20 30 BHEDRO CCC(CC)C[N@H+](CC)Cc1cccc(C#N)c1 ZINC000042270319 388275361 /nfs/dbraw/zinc/27/53/61/388275361.db2.gz NFYZHIKJVBOJMY-UHFFFAOYSA-N 1 0 244.382 3.816 20 30 BHEDRO CCC(CC)C[N@H+](CC)Cc1ccc(C#N)cc1 ZINC000042337954 342996683 /nfs/dbraw/zinc/99/66/83/342996683.db2.gz HTCUSCKBHAKQPT-UHFFFAOYSA-N 1 0 244.382 3.816 20 30 BHEDRO CCC(CC)C[N@H+](CC)Cc1ccccc1C#N ZINC000042337955 342996830 /nfs/dbraw/zinc/99/68/30/342996830.db2.gz DYUYKSOJHNJBDF-UHFFFAOYSA-N 1 0 244.382 3.816 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](C)CC)cc1 ZINC000042552966 384642948 /nfs/dbraw/zinc/64/29/48/384642948.db2.gz VENNXVSOEJYWEP-ZIAGYGMSSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)CC)cc1 ZINC000042552969 342999921 /nfs/dbraw/zinc/99/99/21/342999921.db2.gz VENNXVSOEJYWEP-UONOGXRCSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)CC)cc1 ZINC000042552972 188396735 /nfs/dbraw/zinc/39/67/35/188396735.db2.gz VENNXVSOEJYWEP-KGLIPLIRSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)cc1 ZINC000042552975 384641714 /nfs/dbraw/zinc/64/17/14/384641714.db2.gz VENNXVSOEJYWEP-KBPBESRZSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)[C@H](C)CC ZINC000042553766 386686743 /nfs/dbraw/zinc/68/67/43/386686743.db2.gz IZIUEWYCJQANGX-ZIAGYGMSSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)[C@@H](C)CC ZINC000042553769 384642181 /nfs/dbraw/zinc/64/21/81/384642181.db2.gz IZIUEWYCJQANGX-UONOGXRCSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)[C@H](C)CC ZINC000042553772 384643637 /nfs/dbraw/zinc/64/36/37/384643637.db2.gz IZIUEWYCJQANGX-KGLIPLIRSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)[C@@H](C)CC ZINC000042553775 384642781 /nfs/dbraw/zinc/64/27/81/384642781.db2.gz IZIUEWYCJQANGX-KBPBESRZSA-N 1 0 247.382 3.776 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000042554195 171367011 /nfs/dbraw/zinc/36/70/11/171367011.db2.gz ONNGVTUEAINFHU-XQQFMLRXSA-N 1 0 230.355 3.643 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000042554201 171390116 /nfs/dbraw/zinc/39/01/16/171390116.db2.gz ONNGVTUEAINFHU-AVGNSLFASA-N 1 0 230.355 3.643 20 30 BHEDRO CCCCC[N@H+](CCCCC#N)C(C)C ZINC000042556956 344458390 /nfs/dbraw/zinc/45/83/90/344458390.db2.gz NWZMBAOWZGEOJL-UHFFFAOYSA-N 1 0 210.365 3.581 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000042570410 637284097 /nfs/dbraw/zinc/28/40/97/637284097.db2.gz YBESLRZPTLUJJM-GFCCVEGCSA-N 1 0 248.345 3.756 20 30 BHEDRO CCCCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000042570413 637283755 /nfs/dbraw/zinc/28/37/55/637283755.db2.gz YBESLRZPTLUJJM-LBPRGKRZSA-N 1 0 248.345 3.756 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000042579576 362009261 /nfs/dbraw/zinc/00/92/61/362009261.db2.gz VFBJKSHNFUPLHI-CJNGLKHVSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000042579579 374276351 /nfs/dbraw/zinc/27/63/51/374276351.db2.gz VFBJKSHNFUPLHI-BBRMVZONSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000042579582 362009226 /nfs/dbraw/zinc/00/92/26/362009226.db2.gz VFBJKSHNFUPLHI-CZUORRHYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000042579585 171612061 /nfs/dbraw/zinc/61/20/61/171612061.db2.gz VFBJKSHNFUPLHI-XJKSGUPXSA-N 1 0 242.366 3.617 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)C(C)C)cc1 ZINC000042585184 343000439 /nfs/dbraw/zinc/00/04/39/343000439.db2.gz YGUAZNYHVZXZSC-INIZCTEOSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](CC)C(C)C)cc1 ZINC000042585187 322839008 /nfs/dbraw/zinc/83/90/08/322839008.db2.gz YGUAZNYHVZXZSC-MRXNPFEDSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)C(C)C ZINC000042585919 166425515 /nfs/dbraw/zinc/42/55/15/166425515.db2.gz ZEDCVLFNKCXKPX-HNNXBMFYSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)C(C)C ZINC000042585922 384641703 /nfs/dbraw/zinc/64/17/03/384641703.db2.gz ZEDCVLFNKCXKPX-OAHLLOKOSA-N 1 0 247.382 3.776 20 30 BHEDRO C=C(Br)C[NH2+][C@H](C)CCCC(C)C ZINC000042589664 641555470 /nfs/dbraw/zinc/55/54/70/641555470.db2.gz RJFVMJYHRHINFP-LLVKDONJSA-N 1 0 248.208 3.699 20 30 BHEDRO C=C(Br)C[NH2+][C@@H](C)CCCC(C)C ZINC000042589667 641555821 /nfs/dbraw/zinc/55/58/21/641555821.db2.gz RJFVMJYHRHINFP-NSHDSACASA-N 1 0 248.208 3.699 20 30 BHEDRO CC#CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000043194140 356420315 /nfs/dbraw/zinc/42/03/15/356420315.db2.gz VPKVYBUPKWFUPD-CYBMUJFWSA-N 1 0 223.319 3.514 20 30 BHEDRO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1C ZINC000043419735 638311080 /nfs/dbraw/zinc/31/10/80/638311080.db2.gz DRWNBVBNLNRCOD-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO C=C(Br)C[NH2+]C(C)(C)CC(C)(C)C ZINC000043434744 711582699 /nfs/dbraw/zinc/58/26/99/711582699.db2.gz CPAKSZLINOVPBQ-UHFFFAOYSA-N 1 0 248.208 3.699 20 30 BHEDRO C=C(Cl)C[NH2+]C(C)(C)CC(C)(C)C ZINC000043434746 711583125 /nfs/dbraw/zinc/58/31/25/711583125.db2.gz HGPIRIZJPZARMH-UHFFFAOYSA-N 1 0 203.757 3.543 20 30 BHEDRO CCCC[C@@H](CC)C[N@H+](CC)C[C@@H](C)C#N ZINC000043455090 343001491 /nfs/dbraw/zinc/00/14/91/343001491.db2.gz IRWMTXRNDCRMOE-UONOGXRCSA-N 1 0 224.392 3.684 20 30 BHEDRO CCCC[C@H](CC)C[N@H+](CC)C[C@@H](C)C#N ZINC000043455092 343001639 /nfs/dbraw/zinc/00/16/39/343001639.db2.gz IRWMTXRNDCRMOE-KBPBESRZSA-N 1 0 224.392 3.684 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643940 343479607 /nfs/dbraw/zinc/47/96/07/343479607.db2.gz KJLVDGUOTBESMZ-UHFFFAOYSA-N 1 0 243.272 3.713 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089808 487807040 /nfs/dbraw/zinc/80/70/40/487807040.db2.gz CFBVMTDIFDQUCY-NSHDSACASA-N 1 0 215.296 3.612 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089809 410111891 /nfs/dbraw/zinc/11/18/91/410111891.db2.gz CFBVMTDIFDQUCY-LLVKDONJSA-N 1 0 215.296 3.612 20 30 BHEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCCC#N ZINC000044089879 639572725 /nfs/dbraw/zinc/57/27/25/639572725.db2.gz PYBHJAHQTPXTNA-GFCCVEGCSA-N 1 0 242.322 3.729 20 30 BHEDRO CC(C)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000044898411 387950026 /nfs/dbraw/zinc/95/00/26/387950026.db2.gz RZYAYSQXPDGIJH-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007417 411143093 /nfs/dbraw/zinc/14/30/93/411143093.db2.gz MBBXYIUQDHNMII-JTQLQIEISA-N 1 0 209.720 3.519 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000045007420 411143023 /nfs/dbraw/zinc/14/30/23/411143023.db2.gz MBBXYIUQDHNMII-SNVBAGLBSA-N 1 0 209.720 3.519 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007534 411143054 /nfs/dbraw/zinc/14/30/54/411143054.db2.gz CDZHHHIMSZYNQY-NSHDSACASA-N 1 0 223.747 3.909 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000045007537 411143017 /nfs/dbraw/zinc/14/30/17/411143017.db2.gz CDZHHHIMSZYNQY-LLVKDONJSA-N 1 0 223.747 3.909 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045007794 411143012 /nfs/dbraw/zinc/14/30/12/411143012.db2.gz XTLJTQDLMDJWQD-CYBMUJFWSA-N 1 0 221.731 3.663 20 30 BHEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000045007796 411143057 /nfs/dbraw/zinc/14/30/57/411143057.db2.gz XTLJTQDLMDJWQD-ZDUSSCGKSA-N 1 0 221.731 3.663 20 30 BHEDRO CC(C)c1ccc(C[NH2+]CCCCC#N)cc1 ZINC000045044522 136209494 /nfs/dbraw/zinc/20/94/94/136209494.db2.gz AKIBDQZQHISTIV-UHFFFAOYSA-N 1 0 230.355 3.593 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000045044830 631829302 /nfs/dbraw/zinc/82/93/02/631829302.db2.gz UWXYRCNPHOKMMM-UHFFFAOYSA-N 1 0 223.747 3.652 20 30 BHEDRO CC1([NH2+]Cc2ccc(C#N)cc2F)CCCCC1 ZINC000045045802 384665209 /nfs/dbraw/zinc/66/52/09/384665209.db2.gz YSVYDPCMSRNGPG-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000045629216 384400581 /nfs/dbraw/zinc/40/05/81/384400581.db2.gz BAISLEUPNYYHFO-KBPBESRZSA-N 1 0 240.350 3.565 20 30 BHEDRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000045629217 200655678 /nfs/dbraw/zinc/65/56/78/200655678.db2.gz BAISLEUPNYYHFO-KGLIPLIRSA-N 1 0 240.350 3.565 20 30 BHEDRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000045629218 384400982 /nfs/dbraw/zinc/40/09/82/384400982.db2.gz BAISLEUPNYYHFO-UONOGXRCSA-N 1 0 240.350 3.565 20 30 BHEDRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000045629219 384399223 /nfs/dbraw/zinc/39/92/23/384399223.db2.gz BAISLEUPNYYHFO-ZIAGYGMSSA-N 1 0 240.350 3.565 20 30 BHEDRO CC(C)CC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000045751711 387722024 /nfs/dbraw/zinc/72/20/24/387722024.db2.gz VVONHCYCNADOEU-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)CC[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000045751757 387722242 /nfs/dbraw/zinc/72/22/42/387722242.db2.gz MYZFDUPYTCEEFL-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCC#N ZINC000045915464 176014252 /nfs/dbraw/zinc/01/42/52/176014252.db2.gz WAHBOACAHUFPIM-NSHDSACASA-N 1 0 236.746 3.637 20 30 BHEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCC#N ZINC000045915466 177033148 /nfs/dbraw/zinc/03/31/48/177033148.db2.gz WAHBOACAHUFPIM-LLVKDONJSA-N 1 0 236.746 3.637 20 30 BHEDRO CCc1ccc(C[N@H+](CCCC#N)C2CC2)cc1 ZINC000045944358 368434141 /nfs/dbraw/zinc/43/41/41/368434141.db2.gz WQHICKWCPKGHAW-UHFFFAOYSA-N 1 0 242.366 3.517 20 30 BHEDRO C=CC[N@@H+](C)Cc1csc2ccccc12 ZINC000046089600 368436127 /nfs/dbraw/zinc/43/61/27/368436127.db2.gz QAOYLCYBGFZYJT-UHFFFAOYSA-N 1 0 217.337 3.519 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1csc2ccccc12 ZINC000046089610 359753217 /nfs/dbraw/zinc/75/32/17/359753217.db2.gz MGRXDIMDCPMMLJ-UHFFFAOYSA-N 1 0 231.364 3.909 20 30 BHEDRO CCCCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000047833885 356265678 /nfs/dbraw/zinc/26/56/78/356265678.db2.gz MSNSERSUMLBAAW-UHFFFAOYSA-N 1 0 244.382 3.959 20 30 BHEDRO CC(C)C[N@H+](Cc1cc(C#N)ccc1F)C(C)C ZINC000047833917 356265763 /nfs/dbraw/zinc/26/57/63/356265763.db2.gz KBNRYNRCLZOFEA-UHFFFAOYSA-N 1 0 248.345 3.564 20 30 BHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1F)C(C)C ZINC000047878697 358605028 /nfs/dbraw/zinc/60/50/28/358605028.db2.gz XYXMMIXZFBPHIQ-UHFFFAOYSA-N 1 0 248.345 3.564 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000047944009 384668721 /nfs/dbraw/zinc/66/87/21/384668721.db2.gz KWXRJDQUQBHKID-SNVBAGLBSA-N 1 0 209.358 3.592 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000047944011 384668537 /nfs/dbraw/zinc/66/85/37/384668537.db2.gz KWXRJDQUQBHKID-JTQLQIEISA-N 1 0 209.358 3.592 20 30 BHEDRO CCCCC[N@H+](Cc1cccc(C#N)c1)C(C)C ZINC000047958709 342692172 /nfs/dbraw/zinc/69/21/72/342692172.db2.gz BQRVTOOXJLHRGX-UHFFFAOYSA-N 1 0 244.382 3.959 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000047959638 350784152 /nfs/dbraw/zinc/78/41/52/350784152.db2.gz BKPQSPKALBRREN-CYBMUJFWSA-N 1 0 203.329 3.564 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000047959639 350784092 /nfs/dbraw/zinc/78/40/92/350784092.db2.gz BKPQSPKALBRREN-ZDUSSCGKSA-N 1 0 203.329 3.564 20 30 BHEDRO C[C@H](C#N)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000047979720 343014770 /nfs/dbraw/zinc/01/47/70/343014770.db2.gz QSRLSCPSHCLHOG-CYBMUJFWSA-N 1 0 244.382 3.576 20 30 BHEDRO C=CC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000048043330 343704305 /nfs/dbraw/zinc/70/43/05/343704305.db2.gz ZSMJSSCGAJYACW-RISCZKNCSA-N 1 0 231.339 3.553 20 30 BHEDRO C=CC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043332 343704166 /nfs/dbraw/zinc/70/41/66/343704166.db2.gz ZSMJSSCGAJYACW-FZMZJTMJSA-N 1 0 231.339 3.553 20 30 BHEDRO C=CC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000048043334 343704886 /nfs/dbraw/zinc/70/48/86/343704886.db2.gz ZSMJSSCGAJYACW-BXUZGUMPSA-N 1 0 231.339 3.553 20 30 BHEDRO C=CC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043336 343705112 /nfs/dbraw/zinc/70/51/12/343705112.db2.gz ZSMJSSCGAJYACW-SMDDNHRTSA-N 1 0 231.339 3.553 20 30 BHEDRO CCCCC[N@H+](Cc1ccccc1C#N)C(C)C ZINC000048231342 342933455 /nfs/dbraw/zinc/93/34/55/342933455.db2.gz GLCGGMHVWZLUPA-UHFFFAOYSA-N 1 0 244.382 3.959 20 30 BHEDRO CCC(C)(C)C1CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000048484547 168269969 /nfs/dbraw/zinc/26/99/69/168269969.db2.gz WTRBTGVGZGUXPG-HSBZDZAISA-N 1 0 236.403 3.731 20 30 BHEDRO CCC(C)(C)C1CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000048484549 168270211 /nfs/dbraw/zinc/27/02/11/168270211.db2.gz WTRBTGVGZGUXPG-IYXRBSQSSA-N 1 0 236.403 3.731 20 30 BHEDRO CCCCCC[C@@H](C)[NH2+][C@@H](CC)CC#N ZINC000049202519 711775620 /nfs/dbraw/zinc/77/56/20/711775620.db2.gz JJYYNXTWVDCHOK-OLZOCXBDSA-N 1 0 210.365 3.627 20 30 BHEDRO CCCCCC[C@H](C)[NH2+][C@@H](CC)CC#N ZINC000049202523 631871823 /nfs/dbraw/zinc/87/18/23/631871823.db2.gz JJYYNXTWVDCHOK-STQMWFEESA-N 1 0 210.365 3.627 20 30 BHEDRO CCCCCC[C@@H](C)[NH2+][C@H](CC)CC#N ZINC000049202527 711775622 /nfs/dbraw/zinc/77/56/22/711775622.db2.gz JJYYNXTWVDCHOK-CHWSQXEVSA-N 1 0 210.365 3.627 20 30 BHEDRO CCCCCC[C@H](C)[NH2+][C@H](CC)CC#N ZINC000049202532 711775613 /nfs/dbraw/zinc/77/56/13/711775613.db2.gz JJYYNXTWVDCHOK-QWHCGFSZSA-N 1 0 210.365 3.627 20 30 BHEDRO C=C(Br)C[NH2+][C@H](C)CCCCCC ZINC000049202645 711775626 /nfs/dbraw/zinc/77/56/26/711775626.db2.gz CPMHQORWNQWCJP-LLVKDONJSA-N 1 0 248.208 3.844 20 30 BHEDRO C=C(Br)C[NH2+][C@@H](C)CCCCCC ZINC000049202649 711775599 /nfs/dbraw/zinc/77/55/99/711775599.db2.gz CPMHQORWNQWCJP-NSHDSACASA-N 1 0 248.208 3.844 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000049507123 188327156 /nfs/dbraw/zinc/32/71/56/188327156.db2.gz BDUNMCKLIQVQJS-SECBINFHSA-N 1 0 229.776 3.768 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC)c1cccs1 ZINC000049530583 631886229 /nfs/dbraw/zinc/88/62/29/631886229.db2.gz HMQZQUCUZSZWRN-VIFPVBQESA-N 1 0 215.749 3.541 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC)c1cccs1 ZINC000049530584 631886313 /nfs/dbraw/zinc/88/63/13/631886313.db2.gz HMQZQUCUZSZWRN-SECBINFHSA-N 1 0 215.749 3.541 20 30 BHEDRO CCCC1CCC([NH2+][C@@H](CC)CC#N)CC1 ZINC000049545272 711448796 /nfs/dbraw/zinc/44/87/96/711448796.db2.gz NNTNWGSOHRMNEF-MOKVOYLWSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCC1CCC([NH2+][C@H](CC)CC#N)CC1 ZINC000049545274 711448875 /nfs/dbraw/zinc/44/88/75/711448875.db2.gz NNTNWGSOHRMNEF-ROKHWSDSSA-N 1 0 222.376 3.627 20 30 BHEDRO C=C(Cl)C[NH2+]C1CCC(CCC)CC1 ZINC000049545328 711448706 /nfs/dbraw/zinc/44/87/06/711448706.db2.gz VGXPGOYCQKYKEL-UHFFFAOYSA-N 1 0 215.768 3.687 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(Cl)s1 ZINC000049578537 383960933 /nfs/dbraw/zinc/96/09/33/383960933.db2.gz LOKVZGNTGPXACE-VIFPVBQESA-N 1 0 242.775 3.746 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)s1 ZINC000049578538 383960538 /nfs/dbraw/zinc/96/05/38/383960538.db2.gz LOKVZGNTGPXACE-SECBINFHSA-N 1 0 242.775 3.746 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)c(C)s1 ZINC000049578564 133469076 /nfs/dbraw/zinc/46/90/76/133469076.db2.gz NMDFIEXPDMJTQN-LLVKDONJSA-N 1 0 236.384 3.709 20 30 BHEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)c(C)s1 ZINC000049578565 384549945 /nfs/dbraw/zinc/54/99/45/384549945.db2.gz NMDFIEXPDMJTQN-NSHDSACASA-N 1 0 236.384 3.709 20 30 BHEDRO CCCC1CCC([NH2+]CCCCC#N)CC1 ZINC000049578574 643088583 /nfs/dbraw/zinc/08/85/83/643088583.db2.gz JXQYSSZLRXVARO-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC1CCC([N@H+](C)CCCCC#N)CC1 ZINC000049579457 348814748 /nfs/dbraw/zinc/81/47/48/348814748.db2.gz NABKGGVORRFTGP-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)[N@H+](CCCCC#N)Cc1cccs1 ZINC000049579463 398051667 /nfs/dbraw/zinc/05/16/67/398051667.db2.gz ZODMZEFFNDJLMC-UHFFFAOYSA-N 1 0 236.384 3.652 20 30 BHEDRO Cc1ccc(C)c(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000049800812 643442656 /nfs/dbraw/zinc/44/26/56/643442656.db2.gz UXBOUZDEZXJZFZ-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO Cc1cc(C)cc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000049800846 643444379 /nfs/dbraw/zinc/44/43/79/643444379.db2.gz IITXVVUDSQSZIP-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000049855298 386656694 /nfs/dbraw/zinc/65/66/94/386656694.db2.gz UUCBZYNUTCMABB-SNVBAGLBSA-N 1 0 209.720 3.567 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049855300 386667124 /nfs/dbraw/zinc/66/71/24/386667124.db2.gz OJMIBXILIZBWCJ-JTQLQIEISA-N 1 0 209.720 3.567 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000049855303 386656806 /nfs/dbraw/zinc/65/68/06/386656806.db2.gz OJMIBXILIZBWCJ-SNVBAGLBSA-N 1 0 209.720 3.567 20 30 BHEDRO CC[N@@H+](Cc1c(C)cc(C)cc1C)C[C@@H](C)C#N ZINC000049899154 384686318 /nfs/dbraw/zinc/68/63/18/384686318.db2.gz CKYNSUZDPPALEM-ZDUSSCGKSA-N 1 0 244.382 3.593 20 30 BHEDRO CC[N@@H+](Cc1c(C)cc(C)cc1C)C[C@H](C)C#N ZINC000049899155 384685364 /nfs/dbraw/zinc/68/53/64/384685364.db2.gz CKYNSUZDPPALEM-CYBMUJFWSA-N 1 0 244.382 3.593 20 30 BHEDRO CCc1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC000049961523 387804059 /nfs/dbraw/zinc/80/40/59/387804059.db2.gz YDYJAUZOIILFMP-UHFFFAOYSA-N 1 0 244.382 3.621 20 30 BHEDRO C[N@H+](CCCC#N)Cc1ccc2ccccc2c1 ZINC000049967903 350269385 /nfs/dbraw/zinc/26/93/85/350269385.db2.gz DDKPCUMGBORVER-UHFFFAOYSA-N 1 0 238.334 3.575 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000049968021 352649430 /nfs/dbraw/zinc/64/94/30/352649430.db2.gz PSJSJVMZDZUYCF-UHFFFAOYSA-N 1 0 241.334 3.858 20 30 BHEDRO C=CC[N@@H+](CC=C(C)C)Cc1cccs1 ZINC000050274356 350318274 /nfs/dbraw/zinc/31/82/74/350318274.db2.gz ULGDLERIJCWRBV-UHFFFAOYSA-N 1 0 221.369 3.702 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000050400436 169379818 /nfs/dbraw/zinc/37/98/18/169379818.db2.gz ZSAOPTWHBQQBLR-SWLSCSKDSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000050400438 387052076 /nfs/dbraw/zinc/05/20/76/387052076.db2.gz ZSAOPTWHBQQBLR-WFASDCNBSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000050400440 169380580 /nfs/dbraw/zinc/38/05/80/169380580.db2.gz ZSAOPTWHBQQBLR-IUODEOHRSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000050400443 387053014 /nfs/dbraw/zinc/05/30/14/387053014.db2.gz ZSAOPTWHBQQBLR-DOMZBBRYSA-N 1 0 230.355 3.788 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](CC)CCC)cc1 ZINC000050401136 384697540 /nfs/dbraw/zinc/69/75/40/384697540.db2.gz ZSPUGXGEIIJMAI-OAHLLOKOSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)CCC)cc1 ZINC000050401139 384697685 /nfs/dbraw/zinc/69/76/85/384697685.db2.gz ZSPUGXGEIIJMAI-HNNXBMFYSA-N 1 0 247.382 3.920 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000050402401 387052738 /nfs/dbraw/zinc/05/27/38/387052738.db2.gz QFIZYMOMYIOTFC-SWLSCSKDSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000050402403 387053018 /nfs/dbraw/zinc/05/30/18/387053018.db2.gz QFIZYMOMYIOTFC-WFASDCNBSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000050402405 322850037 /nfs/dbraw/zinc/85/00/37/322850037.db2.gz QFIZYMOMYIOTFC-IUODEOHRSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000050402407 322850096 /nfs/dbraw/zinc/85/00/96/322850096.db2.gz QFIZYMOMYIOTFC-DOMZBBRYSA-N 1 0 230.355 3.788 20 30 BHEDRO CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000050887649 345586463 /nfs/dbraw/zinc/58/64/63/345586463.db2.gz DUFBAWRUVHPQDK-OLZOCXBDSA-N 1 0 230.355 3.788 20 30 BHEDRO CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000050887650 345586566 /nfs/dbraw/zinc/58/65/66/345586566.db2.gz DUFBAWRUVHPQDK-STQMWFEESA-N 1 0 230.355 3.788 20 30 BHEDRO CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000050887651 345586493 /nfs/dbraw/zinc/58/64/93/345586493.db2.gz DUFBAWRUVHPQDK-CHWSQXEVSA-N 1 0 230.355 3.788 20 30 BHEDRO CCCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000050887652 345586475 /nfs/dbraw/zinc/58/64/75/345586475.db2.gz DUFBAWRUVHPQDK-QWHCGFSZSA-N 1 0 230.355 3.788 20 30 BHEDRO N#CCCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000051423092 358752465 /nfs/dbraw/zinc/75/24/65/358752465.db2.gz ZAWLNBDLOGDNMF-AWEZNQCLSA-N 1 0 248.757 3.781 20 30 BHEDRO N#CCCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000051423093 358752722 /nfs/dbraw/zinc/75/27/22/358752722.db2.gz ZAWLNBDLOGDNMF-CQSZACIVSA-N 1 0 248.757 3.781 20 30 BHEDRO CC#CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000051662952 322851093 /nfs/dbraw/zinc/85/10/93/322851093.db2.gz KUWQEOMMJCZSBN-VIFPVBQESA-N 1 0 242.149 3.667 20 30 BHEDRO CC#CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000051662953 322851248 /nfs/dbraw/zinc/85/12/48/322851248.db2.gz KUWQEOMMJCZSBN-SECBINFHSA-N 1 0 242.149 3.667 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814273 384706122 /nfs/dbraw/zinc/70/61/22/384706122.db2.gz YDZSYZCHKHKCCG-SJORKVTESA-N 1 0 241.378 3.597 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814274 384707458 /nfs/dbraw/zinc/70/74/58/384707458.db2.gz YDZSYZCHKHKCCG-IRXDYDNUSA-N 1 0 241.378 3.597 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814275 322851903 /nfs/dbraw/zinc/85/19/03/322851903.db2.gz YDZSYZCHKHKCCG-IAGOWNOFSA-N 1 0 241.378 3.597 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814276 384706656 /nfs/dbraw/zinc/70/66/56/384706656.db2.gz YDZSYZCHKHKCCG-DLBZAZTESA-N 1 0 241.378 3.597 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2)cc1 ZINC000051814342 384706708 /nfs/dbraw/zinc/70/67/08/384706708.db2.gz NPUWNHLADVAKCO-MRXNPFEDSA-N 1 0 249.357 3.697 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2)cc1 ZINC000051814343 322851930 /nfs/dbraw/zinc/85/19/30/322851930.db2.gz NPUWNHLADVAKCO-INIZCTEOSA-N 1 0 249.357 3.697 20 30 BHEDRO C[N@H+](CCCC#N)Cc1cccc2ccccc21 ZINC000051993076 134385250 /nfs/dbraw/zinc/38/52/50/134385250.db2.gz QKNFEMJCLDRLMR-UHFFFAOYSA-N 1 0 238.334 3.575 20 30 BHEDRO C=C(C)C[N@H+](C)CCCCc1ccccc1 ZINC000052037379 350891078 /nfs/dbraw/zinc/89/10/78/350891078.db2.gz JBAZFRNSMYWSPW-UHFFFAOYSA-N 1 0 217.356 3.517 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000052047825 355759677 /nfs/dbraw/zinc/75/96/77/355759677.db2.gz ZBMMOZKBHHEWIL-UHFFFAOYSA-N 1 0 243.272 3.713 20 30 BHEDRO C=C(C)C[NH2+]Cc1cccc2ccccc21 ZINC000052061525 384710088 /nfs/dbraw/zinc/71/00/88/384710088.db2.gz MHKUEHTXPCYVPR-UHFFFAOYSA-N 1 0 211.308 3.506 20 30 BHEDRO N#CCCCC[NH2+]Cc1cccc2ccccc21 ZINC000052061582 384713214 /nfs/dbraw/zinc/71/32/14/384713214.db2.gz BKONLMADQQTFDH-UHFFFAOYSA-N 1 0 238.334 3.623 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc2ccccc21 ZINC000052061607 535726655 /nfs/dbraw/zinc/72/66/55/535726655.db2.gz VXIJRUPZZSOJBE-HNNXBMFYSA-N 1 0 238.334 3.622 20 30 BHEDRO CC[C@H](CC#N)[NH2+]Cc1cccc2ccccc21 ZINC000052061609 536057053 /nfs/dbraw/zinc/05/70/53/536057053.db2.gz VXIJRUPZZSOJBE-OAHLLOKOSA-N 1 0 238.334 3.622 20 30 BHEDRO C=CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070686 350905732 /nfs/dbraw/zinc/90/57/32/350905732.db2.gz ZRENJPPZBQIOCA-UHFFFAOYSA-N 1 0 230.138 3.611 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000052074969 350906446 /nfs/dbraw/zinc/90/64/46/350906446.db2.gz NTMCNUPRJBMFNP-JTQLQIEISA-N 1 0 225.282 3.534 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000052074970 350906693 /nfs/dbraw/zinc/90/66/93/350906693.db2.gz NTMCNUPRJBMFNP-SNVBAGLBSA-N 1 0 225.282 3.534 20 30 BHEDRO N#CCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000052075834 350931920 /nfs/dbraw/zinc/93/19/20/350931920.db2.gz LBIQUJIOACJDSL-UHFFFAOYSA-N 1 0 248.757 3.608 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000052076982 350908121 /nfs/dbraw/zinc/90/81/21/350908121.db2.gz MQYUNEQYVNTBCS-UHFFFAOYSA-N 1 0 219.328 3.600 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077647 350933501 /nfs/dbraw/zinc/93/35/01/350933501.db2.gz OXAGWHGXJISDPO-CYBMUJFWSA-N 1 0 221.731 3.663 20 30 BHEDRO C=CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000052077648 350933528 /nfs/dbraw/zinc/93/35/28/350933528.db2.gz OXAGWHGXJISDPO-ZDUSSCGKSA-N 1 0 221.731 3.663 20 30 BHEDRO N#CCCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000052077809 181036037 /nfs/dbraw/zinc/03/60/37/181036037.db2.gz KMGOFUGVEIXECH-AWEZNQCLSA-N 1 0 248.757 3.781 20 30 BHEDRO N#CCCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077810 181036151 /nfs/dbraw/zinc/03/61/51/181036151.db2.gz KMGOFUGVEIXECH-CQSZACIVSA-N 1 0 248.757 3.781 20 30 BHEDRO CCC1CCC([N@H+](CCCC#N)C2CC2)CC1 ZINC000052103672 350937320 /nfs/dbraw/zinc/93/73/20/350937320.db2.gz ZYRNINCZKPOSGZ-UHFFFAOYSA-N 1 0 234.387 3.723 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162184 350936367 /nfs/dbraw/zinc/93/63/67/350936367.db2.gz RYAOHJMBLJPNEN-NSHDSACASA-N 1 0 223.747 3.909 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162185 355761294 /nfs/dbraw/zinc/76/12/94/355761294.db2.gz RYAOHJMBLJPNEN-LLVKDONJSA-N 1 0 223.747 3.909 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162217 343632760 /nfs/dbraw/zinc/63/27/60/343632760.db2.gz CSPVLAJDFSMZMZ-JTQLQIEISA-N 1 0 209.720 3.519 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162218 350958363 /nfs/dbraw/zinc/95/83/63/350958363.db2.gz CSPVLAJDFSMZMZ-SNVBAGLBSA-N 1 0 209.720 3.519 20 30 BHEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCC#N ZINC000052162378 134385080 /nfs/dbraw/zinc/38/50/80/134385080.db2.gz MYHQLGNZRWEMDP-NSHDSACASA-N 1 0 236.746 3.637 20 30 BHEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCC#N ZINC000052162379 134385161 /nfs/dbraw/zinc/38/51/61/134385161.db2.gz MYHQLGNZRWEMDP-LLVKDONJSA-N 1 0 236.746 3.637 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000052162766 350940110 /nfs/dbraw/zinc/94/01/10/350940110.db2.gz VUGSTHBOMGPSIT-NSHDSACASA-N 1 0 223.747 3.909 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000052162767 350940567 /nfs/dbraw/zinc/94/05/67/350940567.db2.gz VUGSTHBOMGPSIT-LLVKDONJSA-N 1 0 223.747 3.909 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000052162855 343632745 /nfs/dbraw/zinc/63/27/45/343632745.db2.gz NBIYUAVZNIBIRI-JTQLQIEISA-N 1 0 209.720 3.519 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000052162856 350958406 /nfs/dbraw/zinc/95/84/06/350958406.db2.gz NBIYUAVZNIBIRI-SNVBAGLBSA-N 1 0 209.720 3.519 20 30 BHEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCCC#N ZINC000052163034 176023710 /nfs/dbraw/zinc/02/37/10/176023710.db2.gz ACOUSPNLHMQIMV-NSHDSACASA-N 1 0 236.746 3.637 20 30 BHEDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCCC#N ZINC000052163035 177041340 /nfs/dbraw/zinc/04/13/40/177041340.db2.gz ACOUSPNLHMQIMV-LLVKDONJSA-N 1 0 236.746 3.637 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052210570 343632831 /nfs/dbraw/zinc/63/28/31/343632831.db2.gz CLIDOTUSTIZCMF-CYBMUJFWSA-N 1 0 221.731 3.663 20 30 BHEDRO N#CCCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000052211216 350939429 /nfs/dbraw/zinc/93/94/29/350939429.db2.gz PKTYXTQMLDOTJD-AWEZNQCLSA-N 1 0 248.757 3.781 20 30 BHEDRO N#CCCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052211218 350939467 /nfs/dbraw/zinc/93/94/67/350939467.db2.gz PKTYXTQMLDOTJD-CQSZACIVSA-N 1 0 248.757 3.781 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000052212233 350967804 /nfs/dbraw/zinc/96/78/04/350967804.db2.gz BZEMORMJARZQIJ-HNNXBMFYSA-N 1 0 215.340 3.708 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000052212234 350967735 /nfs/dbraw/zinc/96/77/35/350967735.db2.gz BZEMORMJARZQIJ-OAHLLOKOSA-N 1 0 215.340 3.708 20 30 BHEDRO C[C@H]([NH2+]CC#Cc1ccccc1)C1CCCCC1 ZINC000052336864 322854431 /nfs/dbraw/zinc/85/44/31/322854431.db2.gz LGPPOSBAPWEZHL-HNNXBMFYSA-N 1 0 241.378 3.597 20 30 BHEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)C1CCCCC1 ZINC000052336867 322854576 /nfs/dbraw/zinc/85/45/76/322854576.db2.gz LGPPOSBAPWEZHL-OAHLLOKOSA-N 1 0 241.378 3.597 20 30 BHEDRO C[C@H]([NH2+]Cc1ccccc1C#N)C1CCCCC1 ZINC000052338278 322854617 /nfs/dbraw/zinc/85/46/17/322854617.db2.gz OENLNKGLLCJFQO-ZDUSSCGKSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)C1CCCCC1 ZINC000052338279 322854457 /nfs/dbraw/zinc/85/44/57/322854457.db2.gz OENLNKGLLCJFQO-CYBMUJFWSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]([NH2+]CCCCC#N)C1CCCCC1 ZINC000052338327 535900434 /nfs/dbraw/zinc/90/04/34/535900434.db2.gz BKEUAEHOSPHHJC-AWEZNQCLSA-N 1 0 222.376 3.629 20 30 BHEDRO CC[C@@H]([NH2+]CCCCC#N)C1CCCCC1 ZINC000052338329 358780296 /nfs/dbraw/zinc/78/02/96/358780296.db2.gz BKEUAEHOSPHHJC-CQSZACIVSA-N 1 0 222.376 3.629 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000052339313 636026331 /nfs/dbraw/zinc/02/63/31/636026331.db2.gz WLQQAODRDZCCNQ-LBPRGKRZSA-N 1 0 215.768 3.687 20 30 BHEDRO C=C(Br)C[N@@H+](C)C1CCCCCC1 ZINC000052440052 632408590 /nfs/dbraw/zinc/40/85/90/632408590.db2.gz ROWJIIIXANOTBI-UHFFFAOYSA-N 1 0 246.192 3.550 20 30 BHEDRO C=C(Br)C[N@@H+](CC)C1CCCCC1 ZINC000052441388 632410555 /nfs/dbraw/zinc/41/05/55/632410555.db2.gz KCBFYEQUHVMPGP-UHFFFAOYSA-N 1 0 246.192 3.550 20 30 BHEDRO C=CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000052774553 487935489 /nfs/dbraw/zinc/93/54/89/487935489.db2.gz MZRHKHMYLJGRJM-UHFFFAOYSA-N 1 0 249.404 3.998 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccc(SC)cc1 ZINC000052868468 351074432 /nfs/dbraw/zinc/07/44/32/351074432.db2.gz NPIUWWYKLIBTNP-UHFFFAOYSA-N 1 0 233.380 3.583 20 30 BHEDRO CC(C)CC[NH+](CCCC#N)CCC(C)C ZINC000052872085 358798342 /nfs/dbraw/zinc/79/83/42/358798342.db2.gz SWJGKJGZLGAHBD-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO CCCCC[NH+](CCC#N)CCCCC ZINC000052889964 358236168 /nfs/dbraw/zinc/23/61/68/358236168.db2.gz QGDLYOJSSSYLFP-UHFFFAOYSA-N 1 0 210.365 3.582 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCc1ccccc1 ZINC000052890396 487943750 /nfs/dbraw/zinc/94/37/50/487943750.db2.gz JJRYDXTTXKBPHO-UHFFFAOYSA-N 1 0 217.356 3.517 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000052890536 355808444 /nfs/dbraw/zinc/80/84/44/355808444.db2.gz BWUSNGPOGZBBQQ-LBPRGKRZSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000052890538 355808205 /nfs/dbraw/zinc/80/82/05/355808205.db2.gz BWUSNGPOGZBBQQ-GFCCVEGCSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(C)CN(Cc1ccco1)Cc1cccs1 ZINC000052921006 343118013 /nfs/dbraw/zinc/11/80/13/343118013.db2.gz GKGNECIGAIBKDU-UHFFFAOYSA-N 1 0 247.363 3.919 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052921250 488022773 /nfs/dbraw/zinc/02/27/73/488022773.db2.gz RKAUWLFEAUDQOA-UHFFFAOYSA-N 1 0 243.272 3.713 20 30 BHEDRO CC(C)c1ccc(C[N@H+](C)CCCC#N)cc1 ZINC000052922698 134386056 /nfs/dbraw/zinc/38/60/56/134386056.db2.gz OBASEOVKSBAYLR-UHFFFAOYSA-N 1 0 230.355 3.546 20 30 BHEDRO C[N@H+](CCCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000052922912 358248468 /nfs/dbraw/zinc/24/84/68/358248468.db2.gz XATSBOQPOOXJMP-UHFFFAOYSA-N 1 0 244.382 3.720 20 30 BHEDRO C[C@@H](C1CC1)[N@H+](CCCC#N)Cc1ccccc1 ZINC000052928093 351079514 /nfs/dbraw/zinc/07/95/14/351079514.db2.gz XOYKVYGLHCMWDL-AWEZNQCLSA-N 1 0 242.366 3.591 20 30 BHEDRO C[C@H](C1CC1)[N@H+](CCCC#N)Cc1ccccc1 ZINC000052928096 351079297 /nfs/dbraw/zinc/07/92/97/351079297.db2.gz XOYKVYGLHCMWDL-CQSZACIVSA-N 1 0 242.366 3.591 20 30 BHEDRO CC[N@H+](CCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000053088400 358808051 /nfs/dbraw/zinc/80/80/51/358808051.db2.gz JSPDYQIGUARWKA-LBPRGKRZSA-N 1 0 234.318 3.512 20 30 BHEDRO CC[N@H+](CCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000053088401 358807625 /nfs/dbraw/zinc/80/76/25/358807625.db2.gz JSPDYQIGUARWKA-GFCCVEGCSA-N 1 0 234.318 3.512 20 30 BHEDRO C=C(C)C[N@@H+]1CCc2sccc2[C@H]1CC ZINC000053139828 353247491 /nfs/dbraw/zinc/24/74/91/353247491.db2.gz FDNLLFXBPGJXJQ-GFCCVEGCSA-N 1 0 221.369 3.633 20 30 BHEDRO C=C(C)C[N@@H+]1CCc2sccc2[C@@H]1CC ZINC000053139832 355836491 /nfs/dbraw/zinc/83/64/91/355836491.db2.gz FDNLLFXBPGJXJQ-LBPRGKRZSA-N 1 0 221.369 3.633 20 30 BHEDRO C[C@@H](c1ccc2ccccc2c1)N(C)CCC#N ZINC000053643181 323160451 /nfs/dbraw/zinc/16/04/51/323160451.db2.gz XXPZKIBBKPWQBO-ZDUSSCGKSA-N 1 0 238.334 3.746 20 30 BHEDRO C[C@H](c1ccc2ccccc2c1)N(C)CCC#N ZINC000053643183 323160492 /nfs/dbraw/zinc/16/04/92/323160492.db2.gz XXPZKIBBKPWQBO-CYBMUJFWSA-N 1 0 238.334 3.746 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(C#N)cc1 ZINC000054079160 387337558 /nfs/dbraw/zinc/33/75/58/387337558.db2.gz CZFPOHVXAPCZOK-STQMWFEESA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(C#N)cc1 ZINC000054079162 387339756 /nfs/dbraw/zinc/33/97/56/387339756.db2.gz CZFPOHVXAPCZOK-QWHCGFSZSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1CCCC1 ZINC000054079165 387339158 /nfs/dbraw/zinc/33/91/58/387339158.db2.gz CZFPOHVXAPCZOK-OLZOCXBDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(C#N)cc1 ZINC000054079166 175920368 /nfs/dbraw/zinc/92/03/68/175920368.db2.gz CZFPOHVXAPCZOK-CHWSQXEVSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H](C#N)C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000054181127 176553768 /nfs/dbraw/zinc/55/37/68/176553768.db2.gz VWTNMBFUVFIYHP-FVQBIDKESA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](C#N)C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000054181130 385598743 /nfs/dbraw/zinc/59/87/43/385598743.db2.gz VWTNMBFUVFIYHP-BMFZPTHFSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000054181954 636047421 /nfs/dbraw/zinc/04/74/21/636047421.db2.gz HMTVYLOSTFFLDV-MOKVOYLWSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000054181956 636048898 /nfs/dbraw/zinc/04/88/98/636048898.db2.gz HMTVYLOSTFFLDV-ROKHWSDSSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C(CC(C)C)CC(C)C ZINC000054182734 397972601 /nfs/dbraw/zinc/97/26/01/397972601.db2.gz LLKAOYLRTQALDT-ZDUSSCGKSA-N 1 0 224.392 3.729 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C(CC(C)C)CC(C)C ZINC000054182736 322857005 /nfs/dbraw/zinc/85/70/05/322857005.db2.gz LLKAOYLRTQALDT-CYBMUJFWSA-N 1 0 224.392 3.729 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000054182992 398028884 /nfs/dbraw/zinc/02/88/84/398028884.db2.gz URSFVERZCRJBGU-GJZGRUSLSA-N 1 0 244.382 3.955 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000054182995 398028908 /nfs/dbraw/zinc/02/89/08/398028908.db2.gz URSFVERZCRJBGU-LSDHHAIUSA-N 1 0 244.382 3.955 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000054182998 398028861 /nfs/dbraw/zinc/02/88/61/398028861.db2.gz URSFVERZCRJBGU-CABCVRRESA-N 1 0 244.382 3.955 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000054183001 398028971 /nfs/dbraw/zinc/02/89/71/398028971.db2.gz URSFVERZCRJBGU-HUUCEWRRSA-N 1 0 244.382 3.955 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000054183053 348909146 /nfs/dbraw/zinc/90/91/46/348909146.db2.gz JLGUHPHETCHVDE-KBPBESRZSA-N 1 0 234.318 3.559 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000054183055 348909523 /nfs/dbraw/zinc/90/95/23/348909523.db2.gz JLGUHPHETCHVDE-KGLIPLIRSA-N 1 0 234.318 3.559 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](CC)CC#N)c1ccc(F)cc1 ZINC000054183057 348909551 /nfs/dbraw/zinc/90/95/51/348909551.db2.gz JLGUHPHETCHVDE-UONOGXRCSA-N 1 0 234.318 3.559 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000054183060 348909454 /nfs/dbraw/zinc/90/94/54/348909454.db2.gz JLGUHPHETCHVDE-ZIAGYGMSSA-N 1 0 234.318 3.559 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000054183481 134387624 /nfs/dbraw/zinc/38/76/24/134387624.db2.gz RRWXFXSESRVSIN-PCKAHOCUSA-N 1 0 242.366 3.523 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000054183482 536055964 /nfs/dbraw/zinc/05/59/64/536055964.db2.gz RRWXFXSESRVSIN-HWOWSKLDSA-N 1 0 242.366 3.523 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000054183499 411192123 /nfs/dbraw/zinc/19/21/23/411192123.db2.gz NYGAVBJKBKUQQL-PCKAHOCUSA-N 1 0 242.366 3.523 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000054183500 411191862 /nfs/dbraw/zinc/19/18/62/411191862.db2.gz NYGAVBJKBKUQQL-HWOWSKLDSA-N 1 0 242.366 3.523 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C1CC(c2ccccc2C)C1 ZINC000054183503 353331563 /nfs/dbraw/zinc/33/15/63/353331563.db2.gz BRZJHMQGIBMASZ-SLTAFYQDSA-N 1 0 242.366 3.523 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C1CC(c2ccccc2C)C1 ZINC000054183504 353331925 /nfs/dbraw/zinc/33/19/25/353331925.db2.gz BRZJHMQGIBMASZ-SHARSMKWSA-N 1 0 242.366 3.523 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000054183682 636048823 /nfs/dbraw/zinc/04/88/23/636048823.db2.gz IWXISXPBWQFNKF-GBJTYRQASA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000054184001 535726099 /nfs/dbraw/zinc/72/60/99/535726099.db2.gz LMAWIAISEKHFDX-HOCLYGCPSA-N 1 0 244.382 3.598 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000054184002 134387570 /nfs/dbraw/zinc/38/75/70/134387570.db2.gz LMAWIAISEKHFDX-GOEBONIOSA-N 1 0 244.382 3.598 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000054184003 535726755 /nfs/dbraw/zinc/72/67/55/535726755.db2.gz LMAWIAISEKHFDX-ZBFHGGJFSA-N 1 0 244.382 3.598 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000054184004 134387299 /nfs/dbraw/zinc/38/72/99/134387299.db2.gz LMAWIAISEKHFDX-GDBMZVCRSA-N 1 0 244.382 3.598 20 30 BHEDRO N#CCC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000054338633 323204124 /nfs/dbraw/zinc/20/41/24/323204124.db2.gz WEILWEOBAGVDMW-UHFFFAOYSA-N 1 0 242.366 3.735 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000054340012 323204075 /nfs/dbraw/zinc/20/40/75/323204075.db2.gz MKYIWCCBVPKNON-ZDUSSCGKSA-N 1 0 233.355 3.654 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000054340014 323204127 /nfs/dbraw/zinc/20/41/27/323204127.db2.gz MKYIWCCBVPKNON-CYBMUJFWSA-N 1 0 233.355 3.654 20 30 BHEDRO CC[N@H+](C/C=C/Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340517 411509125 /nfs/dbraw/zinc/50/91/25/411509125.db2.gz RUPVBMXCGHHROJ-KFRNIWOLSA-N 1 0 248.757 3.694 20 30 BHEDRO CC[N@H+](C/C=C/Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000054340519 411509584 /nfs/dbraw/zinc/50/95/84/411509584.db2.gz RUPVBMXCGHHROJ-OXFRDRNISA-N 1 0 248.757 3.694 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cccc2cccnc21 ZINC000055104958 359811745 /nfs/dbraw/zinc/81/17/45/359811745.db2.gz GFBQQHJQFIGZCN-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000055386458 176079326 /nfs/dbraw/zinc/07/93/26/176079326.db2.gz BYRQBPZWWONLPS-CJNGLKHVSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000055386462 384739593 /nfs/dbraw/zinc/73/95/93/384739593.db2.gz BYRQBPZWWONLPS-BBRMVZONSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000055386466 176086945 /nfs/dbraw/zinc/08/69/45/176086945.db2.gz BYRQBPZWWONLPS-CZUORRHYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000055386469 177086725 /nfs/dbraw/zinc/08/67/25/177086725.db2.gz BYRQBPZWWONLPS-XJKSGUPXSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1C#N ZINC000055386561 176079435 /nfs/dbraw/zinc/07/94/35/176079435.db2.gz CAEUMDWDJWYMQV-CJNGLKHVSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1C#N ZINC000055386567 177081203 /nfs/dbraw/zinc/08/12/03/177081203.db2.gz CAEUMDWDJWYMQV-BBRMVZONSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1C#N ZINC000055386569 176086947 /nfs/dbraw/zinc/08/69/47/176086947.db2.gz CAEUMDWDJWYMQV-CZUORRHYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1C#N ZINC000055386571 177087062 /nfs/dbraw/zinc/08/70/62/177087062.db2.gz CAEUMDWDJWYMQV-XJKSGUPXSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000055386620 176079130 /nfs/dbraw/zinc/07/91/30/176079130.db2.gz ZLALQEINLGODHN-CJNGLKHVSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000055386623 177080494 /nfs/dbraw/zinc/08/04/94/177080494.db2.gz ZLALQEINLGODHN-BBRMVZONSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000055386627 176086335 /nfs/dbraw/zinc/08/63/35/176086335.db2.gz ZLALQEINLGODHN-CZUORRHYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000055386633 177086752 /nfs/dbraw/zinc/08/67/52/177086752.db2.gz ZLALQEINLGODHN-XJKSGUPXSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]([N@H+](C)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000055481935 388599051 /nfs/dbraw/zinc/59/90/51/388599051.db2.gz NKRIXTZSDLOVMK-NSHDSACASA-N 1 0 248.345 3.564 20 30 BHEDRO C[C@@H]([N@H+](C)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000055481937 388598454 /nfs/dbraw/zinc/59/84/54/388598454.db2.gz NKRIXTZSDLOVMK-LLVKDONJSA-N 1 0 248.345 3.564 20 30 BHEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000055481938 388598587 /nfs/dbraw/zinc/59/85/87/388598587.db2.gz YXWSRCOVYJCFLI-NSHDSACASA-N 1 0 248.345 3.564 20 30 BHEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000055481943 388578031 /nfs/dbraw/zinc/57/80/31/388578031.db2.gz YXWSRCOVYJCFLI-LLVKDONJSA-N 1 0 248.345 3.564 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506465 411399454 /nfs/dbraw/zinc/39/94/54/411399454.db2.gz SDFWAWFHJJYPER-CQSZACIVSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506468 411399791 /nfs/dbraw/zinc/39/97/91/411399791.db2.gz SDFWAWFHJJYPER-AWEZNQCLSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000056305150 369356632 /nfs/dbraw/zinc/35/66/32/369356632.db2.gz CZLPVUZZVUWGOL-HNNXBMFYSA-N 1 0 215.340 3.708 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000056305153 369356646 /nfs/dbraw/zinc/35/66/46/369356646.db2.gz CZLPVUZZVUWGOL-OAHLLOKOSA-N 1 0 215.340 3.708 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000057598674 134391032 /nfs/dbraw/zinc/39/10/32/134391032.db2.gz RGVPZQYPZQLCOF-LBPRGKRZSA-N 1 0 234.368 3.579 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057598676 134391047 /nfs/dbraw/zinc/39/10/47/134391047.db2.gz RGVPZQYPZQLCOF-GFCCVEGCSA-N 1 0 234.368 3.579 20 30 BHEDRO C=CC[N@@H+](CCCC)Cc1cccs1 ZINC000057621008 488061344 /nfs/dbraw/zinc/06/13/44/488061344.db2.gz RTZIYWSIZCOJLG-UHFFFAOYSA-N 1 0 209.358 3.536 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000057621525 487579294 /nfs/dbraw/zinc/57/92/94/487579294.db2.gz ZDNHXPZJRWXRBQ-UHFFFAOYSA-N 1 0 229.367 3.960 20 30 BHEDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCCCC#N ZINC000057626281 368497979 /nfs/dbraw/zinc/49/79/79/368497979.db2.gz MWTVLODBDIELJY-CYBMUJFWSA-N 1 0 248.395 3.751 20 30 BHEDRO CC[C@H]1c2ccsc2CC[N@H+]1CCCCC#N ZINC000057626285 368498326 /nfs/dbraw/zinc/49/83/26/368498326.db2.gz MWTVLODBDIELJY-ZDUSSCGKSA-N 1 0 248.395 3.751 20 30 BHEDRO C=C(C)C[N@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000057626531 487584494 /nfs/dbraw/zinc/58/44/94/487584494.db2.gz UHPQQVQXZCNDOG-INIZCTEOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=C(C)C[N@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000057626533 487583209 /nfs/dbraw/zinc/58/32/09/487583209.db2.gz UHPQQVQXZCNDOG-MRXNPFEDSA-N 1 0 245.366 3.798 20 30 BHEDRO CC(C)[C@H]([NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000057627969 368497954 /nfs/dbraw/zinc/49/79/54/368497954.db2.gz ZYQJIGXGRCKAON-HNNXBMFYSA-N 1 0 248.345 3.806 20 30 BHEDRO CC(C)[C@@H]([NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000057627971 368498348 /nfs/dbraw/zinc/49/83/48/368498348.db2.gz ZYQJIGXGRCKAON-OAHLLOKOSA-N 1 0 248.345 3.806 20 30 BHEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000057661431 350131073 /nfs/dbraw/zinc/13/10/73/350131073.db2.gz CJIMNOUCGDPBPO-MRXNPFEDSA-N 1 0 242.366 3.517 20 30 BHEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000057661433 385939422 /nfs/dbraw/zinc/93/94/22/385939422.db2.gz CJIMNOUCGDPBPO-INIZCTEOSA-N 1 0 242.366 3.517 20 30 BHEDRO C[N@H+](Cc1ccc(CC#N)cc1)C1CCCCC1 ZINC000057661492 385938476 /nfs/dbraw/zinc/93/84/76/385938476.db2.gz VSPRESRQBWNMRL-UHFFFAOYSA-N 1 0 242.366 3.517 20 30 BHEDRO C=C(Br)C[NH+](CCCC)CCCC ZINC000057753001 636062691 /nfs/dbraw/zinc/06/26/91/636062691.db2.gz ABGXNJKWLMQVJN-UHFFFAOYSA-N 1 0 248.208 3.797 20 30 BHEDRO C=C(Br)C[NH+](CC(C)C)CC(C)C ZINC000057753634 640633921 /nfs/dbraw/zinc/63/39/21/640633921.db2.gz CBALTDANIJKZKO-UHFFFAOYSA-N 1 0 248.208 3.509 20 30 BHEDRO C=C(Br)C[N@@H+](CC)CC(CC)CC ZINC000057754172 640634400 /nfs/dbraw/zinc/63/44/00/640634400.db2.gz UHMHYGLPJVAXHI-UHFFFAOYSA-N 1 0 248.208 3.653 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000057871704 358907719 /nfs/dbraw/zinc/90/77/19/358907719.db2.gz PELRMHYWNHCXTI-HNNXBMFYSA-N 1 0 234.387 3.725 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000057871706 358907964 /nfs/dbraw/zinc/90/79/64/358907964.db2.gz PELRMHYWNHCXTI-OAHLLOKOSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C#N)CC1 ZINC000057872865 323935999 /nfs/dbraw/zinc/93/59/99/323935999.db2.gz FMQCIIMBSWFLLQ-NSHDSACASA-N 1 0 248.757 3.637 20 30 BHEDRO C[C@H](c1cccc(Cl)c1)[NH+]1CCC(C#N)CC1 ZINC000057872871 323935838 /nfs/dbraw/zinc/93/58/38/323935838.db2.gz FMQCIIMBSWFLLQ-LLVKDONJSA-N 1 0 248.757 3.637 20 30 BHEDRO CC(C)c1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000057907133 535371431 /nfs/dbraw/zinc/37/14/31/535371431.db2.gz OFMKAJGEDKQXGV-UHFFFAOYSA-N 1 0 242.366 3.546 20 30 BHEDRO C=CC[NH+](CC=C)Cc1cccc(Cl)c1 ZINC000058337443 368509504 /nfs/dbraw/zinc/50/95/04/368509504.db2.gz AHGXZVHBSPKNRR-UHFFFAOYSA-N 1 0 221.731 3.514 20 30 BHEDRO CC(C)[N@H+](C/C=C/Cl)Cc1ccc(C#N)cc1 ZINC000058397143 640705617 /nfs/dbraw/zinc/70/56/17/640705617.db2.gz ADRYZGHUXJEQJG-FPYGCLRLSA-N 1 0 248.757 3.521 20 30 BHEDRO CCCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058398234 372020847 /nfs/dbraw/zinc/02/08/47/372020847.db2.gz CJNHIRPGPUYCTQ-UHFFFAOYSA-N 1 0 230.355 3.569 20 30 BHEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC#N ZINC000058523933 368513286 /nfs/dbraw/zinc/51/32/86/368513286.db2.gz DCEFVGSTDBKCAM-HZPDHXFCSA-N 1 0 242.366 3.558 20 30 BHEDRO C=CC[N@H+]1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000058523937 372048951 /nfs/dbraw/zinc/04/89/51/372048951.db2.gz VJSYUCJEHIEUNA-CVEARBPZSA-N 1 0 229.367 3.831 20 30 BHEDRO CCCCCCC[NH2+]Cc1cccc(F)c1 ZINC000059055180 640778175 /nfs/dbraw/zinc/77/81/75/640778175.db2.gz AXGMAUJJABYKEC-UHFFFAOYSA-N 1 0 223.335 3.886 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1ccccn1 ZINC000059055609 640778689 /nfs/dbraw/zinc/77/86/89/640778689.db2.gz UBJGGLRKQULRCM-UHFFFAOYSA-N 1 0 234.387 3.922 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1cccnc1 ZINC000059055611 640777458 /nfs/dbraw/zinc/77/74/58/640777458.db2.gz OSSWSFBVBCLNPD-UHFFFAOYSA-N 1 0 234.387 3.922 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1ccncc1 ZINC000059055632 640779304 /nfs/dbraw/zinc/77/93/04/640779304.db2.gz SOQXZDKZVYAZON-UHFFFAOYSA-N 1 0 234.387 3.922 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CCc1ccccn1 ZINC000059089844 640783733 /nfs/dbraw/zinc/78/37/33/640783733.db2.gz VBXKGHAETJVFTI-OAHLLOKOSA-N 1 0 248.414 3.963 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CCc1ccccn1 ZINC000059089845 640784732 /nfs/dbraw/zinc/78/47/32/640784732.db2.gz VBXKGHAETJVFTI-HNNXBMFYSA-N 1 0 248.414 3.963 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000059089855 640784475 /nfs/dbraw/zinc/78/44/75/640784475.db2.gz WLKYRTPCILCBSC-WLYUNCDWSA-N 1 0 241.419 3.629 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000059089856 640784815 /nfs/dbraw/zinc/78/48/15/640784815.db2.gz WLKYRTPCILCBSC-NFOMZHRRSA-N 1 0 241.419 3.629 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000059089976 640783931 /nfs/dbraw/zinc/78/39/31/640783931.db2.gz NNQQSVBGVAWJJP-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000059089977 640784676 /nfs/dbraw/zinc/78/46/76/640784676.db2.gz NNQQSVBGVAWJJP-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000059089979 640784422 /nfs/dbraw/zinc/78/44/22/640784422.db2.gz NNQQSVBGVAWJJP-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000059089980 640784590 /nfs/dbraw/zinc/78/45/90/640784590.db2.gz NNQQSVBGVAWJJP-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC000059090243 640784631 /nfs/dbraw/zinc/78/46/31/640784631.db2.gz MQBXBAIVNWXDQP-CQSZACIVSA-N 1 0 234.387 3.920 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]Cc1cccnc1 ZINC000059090244 640784680 /nfs/dbraw/zinc/78/46/80/640784680.db2.gz MQBXBAIVNWXDQP-AWEZNQCLSA-N 1 0 234.387 3.920 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1ccncc1 ZINC000059090583 641162318 /nfs/dbraw/zinc/16/23/18/641162318.db2.gz FDBUNQVYTSVMFP-ZDUSSCGKSA-N 1 0 220.360 3.703 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1ccncc1 ZINC000059090584 640784217 /nfs/dbraw/zinc/78/42/17/640784217.db2.gz FDBUNQVYTSVMFP-CYBMUJFWSA-N 1 0 220.360 3.703 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1ccccn1 ZINC000059090600 534988112 /nfs/dbraw/zinc/98/81/12/534988112.db2.gz RBYPAZLCYJDVBG-ZDUSSCGKSA-N 1 0 220.360 3.703 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1ccccn1 ZINC000059090601 534987295 /nfs/dbraw/zinc/98/72/95/534987295.db2.gz RBYPAZLCYJDVBG-CYBMUJFWSA-N 1 0 220.360 3.703 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1cccnc1 ZINC000059090623 640783628 /nfs/dbraw/zinc/78/36/28/640783628.db2.gz BVLGPVNUAFCFAE-ZDUSSCGKSA-N 1 0 220.360 3.703 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1cccnc1 ZINC000059090624 640784042 /nfs/dbraw/zinc/78/40/42/640784042.db2.gz BVLGPVNUAFCFAE-CYBMUJFWSA-N 1 0 220.360 3.703 20 30 BHEDRO CCCCCCC[NH2+]C(C1CC1)C1CC1 ZINC000059090646 640784713 /nfs/dbraw/zinc/78/47/13/640784713.db2.gz NOZXILXNCIMXBQ-UHFFFAOYSA-N 1 0 209.377 3.735 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000059090771 640783341 /nfs/dbraw/zinc/78/33/41/640783341.db2.gz NWCWSXLFQBLFGD-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000059090772 640783654 /nfs/dbraw/zinc/78/36/54/640783654.db2.gz NWCWSXLFQBLFGD-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000059090773 640784698 /nfs/dbraw/zinc/78/46/98/640784698.db2.gz NWCWSXLFQBLFGD-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000059090774 640784649 /nfs/dbraw/zinc/78/46/49/640784649.db2.gz NWCWSXLFQBLFGD-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+]Cc1ccccc1O ZINC000059111328 711831570 /nfs/dbraw/zinc/83/15/70/711831570.db2.gz PDGHEZXMKHAHRY-UHFFFAOYSA-N 1 0 235.371 3.842 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1ccco1 ZINC000059313737 640802673 /nfs/dbraw/zinc/80/26/73/640802673.db2.gz LPHWXOPPZKZOPZ-LBPRGKRZSA-N 1 0 209.333 3.901 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1ccco1 ZINC000059313739 640802599 /nfs/dbraw/zinc/80/25/99/640802599.db2.gz LPHWXOPPZKZOPZ-GFCCVEGCSA-N 1 0 209.333 3.901 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]C1CCOCC1 ZINC000059373108 640807539 /nfs/dbraw/zinc/80/75/39/640807539.db2.gz MNLCVCPXRULYED-CYBMUJFWSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]C1CCOCC1 ZINC000059373110 640807802 /nfs/dbraw/zinc/80/78/02/640807802.db2.gz MNLCVCPXRULYED-ZDUSSCGKSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCCC[NH2+]C1CCOCC1 ZINC000059373135 640808192 /nfs/dbraw/zinc/80/81/92/640808192.db2.gz DMVIQYLWAFGONR-UHFFFAOYSA-N 1 0 227.392 3.506 20 30 BHEDRO N#Cc1ccc(C[NH+]2CCCCCC2)c(Cl)c1 ZINC000059422219 354835464 /nfs/dbraw/zinc/83/54/64/354835464.db2.gz GGSVFULPSIGHTB-UHFFFAOYSA-N 1 0 248.757 3.588 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000059514975 640815940 /nfs/dbraw/zinc/81/59/40/640815940.db2.gz PBHGFDNVTHSBDS-UHFFFAOYSA-N 1 0 249.663 3.548 20 30 BHEDRO CC(C)CC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000060208173 360174971 /nfs/dbraw/zinc/17/49/71/360174971.db2.gz YPVWPVIVAKSHRT-UHFFFAOYSA-N 1 0 244.382 3.815 20 30 BHEDRO CC[N@H+](CCCCC#N)Cc1ccccc1C ZINC000060332688 343717581 /nfs/dbraw/zinc/71/75/81/343717581.db2.gz ZHIIYLFEPYUPCC-UHFFFAOYSA-N 1 0 230.355 3.511 20 30 BHEDRO CC[N@H+](CCC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060477301 368544595 /nfs/dbraw/zinc/54/45/95/368544595.db2.gz XEFXMKJQSXEVNA-CQSZACIVSA-N 1 0 244.382 3.987 20 30 BHEDRO CC[N@H+](CC=C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060477457 324037040 /nfs/dbraw/zinc/03/70/40/324037040.db2.gz SDTKBGVRAMNSQK-CQSZACIVSA-N 1 0 242.366 3.907 20 30 BHEDRO CCC[N@H+](CCCC#N)CC1CCCCC1 ZINC000060495556 324033684 /nfs/dbraw/zinc/03/36/84/324033684.db2.gz IGKCDEGSUQRQQL-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO C=C(C)C[N@H+](CCC)CC1CCCCC1 ZINC000060599038 360248264 /nfs/dbraw/zinc/24/82/64/360248264.db2.gz HSYDGCNYVYONGS-UHFFFAOYSA-N 1 0 209.377 3.855 20 30 BHEDRO C=CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000060892771 344481767 /nfs/dbraw/zinc/48/17/67/344481767.db2.gz UAMZMMLVOBVXRQ-AWEZNQCLSA-N 1 0 207.361 3.607 20 30 BHEDRO CCC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000060941629 369567527 /nfs/dbraw/zinc/56/75/27/369567527.db2.gz WZODUIXAAGNNHZ-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CCC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC000060941645 369568348 /nfs/dbraw/zinc/56/83/48/369568348.db2.gz CBKXGWZOAPWYPN-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CCC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000060941660 369568790 /nfs/dbraw/zinc/56/87/90/369568790.db2.gz FVVDEUJGIQONMJ-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000060942697 368557257 /nfs/dbraw/zinc/55/72/57/368557257.db2.gz ZNYFVINLFKJIIH-UHFFFAOYSA-N 1 0 243.375 3.936 20 30 BHEDRO C=CC[N@@H+](CCC)Cc1ccc(Cl)s1 ZINC000060961520 409980615 /nfs/dbraw/zinc/98/06/15/409980615.db2.gz AXDXCAOKPXIDOA-UHFFFAOYSA-N 1 0 229.776 3.800 20 30 BHEDRO CCCC[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000061001591 369580082 /nfs/dbraw/zinc/58/00/82/369580082.db2.gz IHSQHFCVOYXMNG-UHFFFAOYSA-N 1 0 230.355 3.570 20 30 BHEDRO N#CCCCC[NH+]1CCC2(CCCCC2)CC1 ZINC000061559684 192088820 /nfs/dbraw/zinc/08/88/20/192088820.db2.gz WSSRINSPDIAAAK-UHFFFAOYSA-N 1 0 234.387 3.727 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000061758531 349403056 /nfs/dbraw/zinc/40/30/56/349403056.db2.gz YOAADOCFMSGALC-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1Cl ZINC000061758532 369844221 /nfs/dbraw/zinc/84/42/21/369844221.db2.gz FQTIOCRIRSGGCQ-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=C(C)C[N@H+](CC)CCOc1c(C)cccc1C ZINC000061758547 369844178 /nfs/dbraw/zinc/84/41/78/369844178.db2.gz BULKKVFVWNQTGW-UHFFFAOYSA-N 1 0 247.382 3.580 20 30 BHEDRO C=C(C)C[N@H+](CC)CCOc1cc(C)cc(C)c1 ZINC000061758653 345780137 /nfs/dbraw/zinc/78/01/37/345780137.db2.gz PYFLVHLCBZKCQS-UHFFFAOYSA-N 1 0 247.382 3.580 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)ccc1C ZINC000061758710 343118312 /nfs/dbraw/zinc/11/83/12/343118312.db2.gz IORPIFVUAIQJAY-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(SC)cc1 ZINC000061758717 353530729 /nfs/dbraw/zinc/53/07/29/353530729.db2.gz FPGATOPQXJDJPC-UHFFFAOYSA-N 1 0 235.396 3.807 20 30 BHEDRO C=C(C)C[N@H+](CC)C/C=C/c1ccccc1 ZINC000061758718 343118406 /nfs/dbraw/zinc/11/84/06/343118406.db2.gz VTHSXSYOCRAMLK-DHZHZOJOSA-N 1 0 215.340 3.598 20 30 BHEDRO C=CC[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC000061758789 349402986 /nfs/dbraw/zinc/40/29/86/349402986.db2.gz IKMYYVOQLIAYDC-UHFFFAOYSA-N 1 0 237.346 3.894 20 30 BHEDRO C=CCN(C)Cc1cccc(Cl)c1Cl ZINC000061779646 360404340 /nfs/dbraw/zinc/40/43/40/360404340.db2.gz IKINHEDRVDJTTL-UHFFFAOYSA-N 1 0 230.138 3.611 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000061780603 369850137 /nfs/dbraw/zinc/85/01/37/369850137.db2.gz FWSMNBLQJJLEPZ-UHFFFAOYSA-N 1 0 217.356 3.602 20 30 BHEDRO CCCCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000061948132 641012383 /nfs/dbraw/zinc/01/23/83/641012383.db2.gz YYBBIQLIFTVFKM-UHFFFAOYSA-N 1 0 230.355 3.570 20 30 BHEDRO C=CC[N@H+](CCCC)CCc1ccccc1 ZINC000062364963 346243252 /nfs/dbraw/zinc/24/32/52/346243252.db2.gz UXWQMTCQXTVLBE-UHFFFAOYSA-N 1 0 217.356 3.517 20 30 BHEDRO CCC1(CC)CC[NH+](CCCCC#N)CC1 ZINC000062953850 387187018 /nfs/dbraw/zinc/18/70/18/387187018.db2.gz VMONDXLSVOMAEB-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO C=CC[N@@H+](CC=C(C)C)Cc1cccc(C#N)c1 ZINC000063300403 384338703 /nfs/dbraw/zinc/33/87/03/384338703.db2.gz QEOJNQOUHHOUHL-UHFFFAOYSA-N 1 0 240.350 3.512 20 30 BHEDRO CCCCC[N@H+](CCC#N)[C@@H](C)CCC ZINC000063608827 388663564 /nfs/dbraw/zinc/66/35/64/388663564.db2.gz BBBZKYZAGWKCKW-ZDUSSCGKSA-N 1 0 210.365 3.581 20 30 BHEDRO CCCCC[N@H+](CCCC#N)[C@@H](C)CCC ZINC000063614323 368590556 /nfs/dbraw/zinc/59/05/56/368590556.db2.gz GKQMDNMJHZOBRM-AWEZNQCLSA-N 1 0 224.392 3.971 20 30 BHEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCC#N)cc1C ZINC000063619542 387293590 /nfs/dbraw/zinc/29/35/90/387293590.db2.gz HUCXWCBICDXGCF-INIZCTEOSA-N 1 0 242.366 3.744 20 30 BHEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063625984 368590848 /nfs/dbraw/zinc/59/08/48/368590848.db2.gz ZBCIWTBDBWNPDJ-HNNXBMFYSA-N 1 0 215.340 3.626 20 30 BHEDRO CC(C)=CC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063750863 323162382 /nfs/dbraw/zinc/16/23/82/323162382.db2.gz ZMYIVUIYFJAGOK-UHFFFAOYSA-N 1 0 242.366 3.735 20 30 BHEDRO CCCC[N@H+](CCCC#N)Cc1ccccc1F ZINC000063755241 357715704 /nfs/dbraw/zinc/71/57/04/357715704.db2.gz WXZKQVMFOGLHCL-UHFFFAOYSA-N 1 0 248.345 3.732 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249466 368603647 /nfs/dbraw/zinc/60/36/47/368603647.db2.gz OUFMUTOXBFSYOJ-CYBMUJFWSA-N 1 0 235.758 3.533 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000064571650 636058446 /nfs/dbraw/zinc/05/84/46/636058446.db2.gz CYPIOYGSAJEANZ-UHFFFAOYSA-N 1 0 243.322 3.619 20 30 BHEDRO N#CCN1CCC[C@@H]1c1cccc2ccccc21 ZINC000064637327 343760443 /nfs/dbraw/zinc/76/04/43/343760443.db2.gz XCFFKAIZJXWDLW-MRXNPFEDSA-N 1 0 236.318 3.500 20 30 BHEDRO C=CC[NH+](CC=C)Cc1c(C)cc(C)cc1C ZINC000065040898 368618009 /nfs/dbraw/zinc/61/80/09/368618009.db2.gz NTZXCKDECQRSSN-UHFFFAOYSA-N 1 0 229.367 3.786 20 30 BHEDRO N#CCCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000065161341 368619654 /nfs/dbraw/zinc/61/96/54/368619654.db2.gz IUCXWBFGMMBZAW-UHFFFAOYSA-N 1 0 242.366 3.592 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCOc1ccccc1C ZINC000065222925 363936448 /nfs/dbraw/zinc/93/64/48/363936448.db2.gz HKMIRTSJZFHDTA-UHFFFAOYSA-N 1 0 247.382 3.662 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000065261067 349854469 /nfs/dbraw/zinc/85/44/69/349854469.db2.gz NAJDKGPUBIAWBA-QGZVFWFLSA-N 1 0 243.394 3.826 20 30 BHEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)C(C)C ZINC000065298640 388676684 /nfs/dbraw/zinc/67/66/84/388676684.db2.gz JEKLBCIICBUOBR-LBPRGKRZSA-N 1 0 248.345 3.564 20 30 BHEDRO CCCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000065432869 388676100 /nfs/dbraw/zinc/67/61/00/388676100.db2.gz DBPWNFQZEPDAHM-CYBMUJFWSA-N 1 0 230.355 3.741 20 30 BHEDRO C=CC[N@H+](CC=C(C)C)CCc1ccccc1 ZINC000065959637 368636423 /nfs/dbraw/zinc/63/64/23/368636423.db2.gz NZCDDPISNVSUTD-UHFFFAOYSA-N 1 0 229.367 3.683 20 30 BHEDRO Cc1cc(C)c2c(c1)N(CCCCC#N)CCC2 ZINC000066854764 388724630 /nfs/dbraw/zinc/72/46/30/388724630.db2.gz OHEVIIIUVUMUJF-UHFFFAOYSA-N 1 0 242.366 3.750 20 30 BHEDRO CC[C@@H](C)[N@H+](CCCC#N)Cc1ccccc1 ZINC000066864789 353818533 /nfs/dbraw/zinc/81/85/33/353818533.db2.gz YQVLIMQGGZCWEH-CQSZACIVSA-N 1 0 230.355 3.591 20 30 BHEDRO CC[C@H](C)[N@H+](CCCC#N)Cc1ccccc1 ZINC000066864790 353818858 /nfs/dbraw/zinc/81/88/58/353818858.db2.gz YQVLIMQGGZCWEH-AWEZNQCLSA-N 1 0 230.355 3.591 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066898349 387091327 /nfs/dbraw/zinc/09/13/27/387091327.db2.gz XFHNMBYWCRGEOH-MRXNPFEDSA-N 1 0 242.366 3.560 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066898352 387091419 /nfs/dbraw/zinc/09/14/19/387091419.db2.gz XFHNMBYWCRGEOH-INIZCTEOSA-N 1 0 242.366 3.560 20 30 BHEDRO CCCCC[N@H+](CCC#N)[C@H](C)CCC ZINC000067984044 383966172 /nfs/dbraw/zinc/96/61/72/383966172.db2.gz BBBZKYZAGWKCKW-CYBMUJFWSA-N 1 0 210.365 3.581 20 30 BHEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCCC#N)cc1C ZINC000067984939 387097025 /nfs/dbraw/zinc/09/70/25/387097025.db2.gz HUCXWCBICDXGCF-MRXNPFEDSA-N 1 0 242.366 3.744 20 30 BHEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)C1CCCC1 ZINC000068448835 388712303 /nfs/dbraw/zinc/71/23/03/388712303.db2.gz WTAKDVJKQHQXKT-UHFFFAOYSA-N 1 0 242.366 3.711 20 30 BHEDRO CC(C)[N@H+](Cc1cccc(C#N)c1)C1CCCC1 ZINC000068449044 384893452 /nfs/dbraw/zinc/89/34/52/384893452.db2.gz NLMXWPKHRWOZSX-UHFFFAOYSA-N 1 0 242.366 3.711 20 30 BHEDRO CC(C)[N@H+](Cc1ccccc1C#N)C1CCCC1 ZINC000068449172 384891234 /nfs/dbraw/zinc/89/12/34/384891234.db2.gz QMZJYGFNBSNVOY-UHFFFAOYSA-N 1 0 242.366 3.711 20 30 BHEDRO C[C@@H](CC#N)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000068608470 134399060 /nfs/dbraw/zinc/39/90/60/134399060.db2.gz UESSCZMNMFUGRX-STQMWFEESA-N 1 0 238.334 3.793 20 30 BHEDRO C[C@H](CC#N)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000068608474 134399074 /nfs/dbraw/zinc/39/90/74/134399074.db2.gz UESSCZMNMFUGRX-OLZOCXBDSA-N 1 0 238.334 3.793 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CC#N)c1cccc2ccccc21 ZINC000068608479 134398627 /nfs/dbraw/zinc/39/86/27/134398627.db2.gz UESSCZMNMFUGRX-QWHCGFSZSA-N 1 0 238.334 3.793 20 30 BHEDRO C[C@H](CC#N)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000068608481 134398232 /nfs/dbraw/zinc/39/82/32/134398232.db2.gz UESSCZMNMFUGRX-CHWSQXEVSA-N 1 0 238.334 3.793 20 30 BHEDRO N#CCCCC[N@H+](CC1CC1)C1CCCCC1 ZINC000069078921 370880765 /nfs/dbraw/zinc/88/07/65/370880765.db2.gz PEIPCQHZCDLSFC-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000069376904 642860248 /nfs/dbraw/zinc/86/02/48/642860248.db2.gz KIHNIEAZRJRPTC-OAHLLOKOSA-N 1 0 230.355 3.617 20 30 BHEDRO CCCC[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000069376910 642860183 /nfs/dbraw/zinc/86/01/83/642860183.db2.gz KIHNIEAZRJRPTC-HNNXBMFYSA-N 1 0 230.355 3.617 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000069376916 323114788 /nfs/dbraw/zinc/11/47/88/323114788.db2.gz AFRPBEMHDAOZEX-OAHLLOKOSA-N 1 0 230.355 3.617 20 30 BHEDRO CCCC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000069376922 323114846 /nfs/dbraw/zinc/11/48/46/323114846.db2.gz AFRPBEMHDAOZEX-HNNXBMFYSA-N 1 0 230.355 3.617 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC#N)[C@H]2CCCC[C@H]12 ZINC000069608237 370961280 /nfs/dbraw/zinc/96/12/80/370961280.db2.gz RDXIOAJKKMDYHY-KFWWJZLASA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC#N ZINC000069679575 368758032 /nfs/dbraw/zinc/75/80/32/368758032.db2.gz DCEFVGSTDBKCAM-HOTGVXAUSA-N 1 0 242.366 3.558 20 30 BHEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC#N ZINC000069679577 368757324 /nfs/dbraw/zinc/75/73/24/368757324.db2.gz DCEFVGSTDBKCAM-CVEARBPZSA-N 1 0 242.366 3.558 20 30 BHEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC#N ZINC000069679580 368757778 /nfs/dbraw/zinc/75/77/78/368757778.db2.gz DCEFVGSTDBKCAM-JKSUJKDBSA-N 1 0 242.366 3.558 20 30 BHEDRO C=CC[N@H+](CCCCC#N)CC1CCCCC1 ZINC000069859711 388869633 /nfs/dbraw/zinc/86/96/33/388869633.db2.gz IXIKGUISCGNJAV-UHFFFAOYSA-N 1 0 234.387 3.749 20 30 BHEDRO C=CC[N@@H+](Cc1cc(C)no1)CC1CCCCC1 ZINC000069860136 343944104 /nfs/dbraw/zinc/94/41/04/343944104.db2.gz LPJZKQRORLSRIB-UHFFFAOYSA-N 1 0 248.370 3.551 20 30 BHEDRO C=CC[N@@H+](Cc1cccnc1)CC1CCCCC1 ZINC000070015774 368760724 /nfs/dbraw/zinc/76/07/24/368760724.db2.gz AFIWFSSIFMLAHB-UHFFFAOYSA-N 1 0 244.382 3.650 20 30 BHEDRO C=CC[N@@H+](Cc1ccccn1)CC1CCCCC1 ZINC000070015922 371002811 /nfs/dbraw/zinc/00/28/11/371002811.db2.gz YNXSJTFGXVEABQ-UHFFFAOYSA-N 1 0 244.382 3.650 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1 ZINC000070101514 324994710 /nfs/dbraw/zinc/99/47/10/324994710.db2.gz NFPNTRCFMHWHGT-ZDUSSCGKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](C)CC2CC2)cc1 ZINC000070101515 388876596 /nfs/dbraw/zinc/87/65/96/388876596.db2.gz NFPNTRCFMHWHGT-CYBMUJFWSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CC1CC1 ZINC000070101542 388876133 /nfs/dbraw/zinc/87/61/33/388876133.db2.gz HPSPDKYWIDEFJG-ZDUSSCGKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CC1CC1 ZINC000070101543 388876656 /nfs/dbraw/zinc/87/66/56/388876656.db2.gz HPSPDKYWIDEFJG-CYBMUJFWSA-N 1 0 245.366 3.530 20 30 BHEDRO C#CCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000070159409 642979584 /nfs/dbraw/zinc/97/95/84/642979584.db2.gz MBUCJBVFORZDIK-VIFPVBQESA-N 1 0 242.149 3.667 20 30 BHEDRO C#CCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000070159410 642979401 /nfs/dbraw/zinc/97/94/01/642979401.db2.gz MBUCJBVFORZDIK-SECBINFHSA-N 1 0 242.149 3.667 20 30 BHEDRO C#CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000070160774 642980198 /nfs/dbraw/zinc/98/01/98/642980198.db2.gz WRWACUYMPITBRB-UHFFFAOYSA-N 1 0 249.357 3.712 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000070186165 323172132 /nfs/dbraw/zinc/17/21/32/323172132.db2.gz QIANGGUSKNECRD-GFCCVEGCSA-N 1 0 248.345 3.612 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000070186166 323172091 /nfs/dbraw/zinc/17/20/91/323172091.db2.gz QIANGGUSKNECRD-LBPRGKRZSA-N 1 0 248.345 3.612 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000070186167 632532226 /nfs/dbraw/zinc/53/22/26/632532226.db2.gz BFZQQUKSAGSGQP-GFCCVEGCSA-N 1 0 248.345 3.612 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000070186168 642993155 /nfs/dbraw/zinc/99/31/55/642993155.db2.gz BFZQQUKSAGSGQP-LBPRGKRZSA-N 1 0 248.345 3.612 20 30 BHEDRO C#CCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000070197439 642996262 /nfs/dbraw/zinc/99/62/62/642996262.db2.gz LXFXJOOAJXBUFY-ZDUSSCGKSA-N 1 0 223.319 3.514 20 30 BHEDRO C#CCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000070197440 642994874 /nfs/dbraw/zinc/99/48/74/642994874.db2.gz LXFXJOOAJXBUFY-CYBMUJFWSA-N 1 0 223.319 3.514 20 30 BHEDRO C#CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000070197459 643460160 /nfs/dbraw/zinc/46/01/60/643460160.db2.gz XQTGKJCLVVUUSO-SFHVURJKSA-N 1 0 249.357 3.583 20 30 BHEDRO C#CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000070197460 643461888 /nfs/dbraw/zinc/46/18/88/643461888.db2.gz XQTGKJCLVVUUSO-GOSISDBHSA-N 1 0 249.357 3.583 20 30 BHEDRO C#CCC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000070246081 643004806 /nfs/dbraw/zinc/00/48/06/643004806.db2.gz HFQKSGJWXNUPGN-HNNXBMFYSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CCC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000070246082 643005335 /nfs/dbraw/zinc/00/53/35/643005335.db2.gz HFQKSGJWXNUPGN-OAHLLOKOSA-N 1 0 229.367 3.777 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1cccc(C#N)c1 ZINC000070305577 323185240 /nfs/dbraw/zinc/18/52/40/323185240.db2.gz DHUPDXMNSGJRPQ-STQMWFEESA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1cccc(C#N)c1 ZINC000070305578 323185287 /nfs/dbraw/zinc/18/52/87/323185287.db2.gz DHUPDXMNSGJRPQ-QWHCGFSZSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000070305579 323185286 /nfs/dbraw/zinc/18/52/86/323185286.db2.gz DHUPDXMNSGJRPQ-OLZOCXBDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1cccc(C#N)c1 ZINC000070305580 323185485 /nfs/dbraw/zinc/18/54/85/323185485.db2.gz DHUPDXMNSGJRPQ-CHWSQXEVSA-N 1 0 242.366 3.788 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000070591679 359059883 /nfs/dbraw/zinc/05/98/83/359059883.db2.gz VHKWTWGBUSEFFZ-OAHLLOKOSA-N 1 0 215.340 3.620 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000070591680 359059441 /nfs/dbraw/zinc/05/94/41/359059441.db2.gz VHKWTWGBUSEFFZ-HNNXBMFYSA-N 1 0 215.340 3.620 20 30 BHEDRO C=CCCC[NH2+]CC(C)(C)c1ccccc1 ZINC000070591747 490224099 /nfs/dbraw/zinc/22/40/99/490224099.db2.gz JUAXKZYDRGUPFO-UHFFFAOYSA-N 1 0 217.356 3.520 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000070591760 323202306 /nfs/dbraw/zinc/20/23/06/323202306.db2.gz ITGYKPURNQFOOH-CYBMUJFWSA-N 1 0 217.356 3.866 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000070591761 323202284 /nfs/dbraw/zinc/20/22/84/323202284.db2.gz ITGYKPURNQFOOH-ZDUSSCGKSA-N 1 0 217.356 3.866 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000070591796 323202282 /nfs/dbraw/zinc/20/22/82/323202282.db2.gz CJXUMPPAVXTWIP-JTQLQIEISA-N 1 0 209.720 3.567 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000070591797 323202204 /nfs/dbraw/zinc/20/22/04/323202204.db2.gz CJXUMPPAVXTWIP-SNVBAGLBSA-N 1 0 209.720 3.567 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000070591798 323202226 /nfs/dbraw/zinc/20/22/26/323202226.db2.gz PXMAZNJTSGKVGN-NSHDSACASA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000070591799 323202227 /nfs/dbraw/zinc/20/22/27/323202227.db2.gz PXMAZNJTSGKVGN-LLVKDONJSA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000070591913 323202275 /nfs/dbraw/zinc/20/22/75/323202275.db2.gz GFTOFEHCCZXTHR-QMMMGPOBSA-N 1 0 215.749 3.628 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000070591914 323202318 /nfs/dbraw/zinc/20/23/18/323202318.db2.gz GFTOFEHCCZXTHR-MRVPVSSYSA-N 1 0 215.749 3.628 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000070591941 323202274 /nfs/dbraw/zinc/20/22/74/323202274.db2.gz HJLJVVRCWSERSM-LLVKDONJSA-N 1 0 209.358 3.673 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000070591942 323202214 /nfs/dbraw/zinc/20/22/14/323202214.db2.gz HJLJVVRCWSERSM-NSHDSACASA-N 1 0 209.358 3.673 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000070591983 134920787 /nfs/dbraw/zinc/92/07/87/134920787.db2.gz HKTJUYHRERFBTQ-SNVBAGLBSA-N 1 0 209.358 3.592 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000070591984 343333523 /nfs/dbraw/zinc/33/35/23/343333523.db2.gz HKTJUYHRERFBTQ-JTQLQIEISA-N 1 0 209.358 3.592 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000070591985 323202235 /nfs/dbraw/zinc/20/22/35/323202235.db2.gz LEFCOTJKOPAMJO-LLVKDONJSA-N 1 0 223.385 3.982 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000070591986 323202406 /nfs/dbraw/zinc/20/24/06/323202406.db2.gz LEFCOTJKOPAMJO-NSHDSACASA-N 1 0 223.385 3.982 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000070591991 323202367 /nfs/dbraw/zinc/20/23/67/323202367.db2.gz YHKXVZKSFVFCDO-JTQLQIEISA-N 1 0 209.720 3.567 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccccc1Cl ZINC000070591992 323202378 /nfs/dbraw/zinc/20/23/78/323202378.db2.gz YHKXVZKSFVFCDO-SNVBAGLBSA-N 1 0 209.720 3.567 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000070591993 323202450 /nfs/dbraw/zinc/20/24/50/323202450.db2.gz JUDARWHYKCKJEG-NSHDSACASA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccccc1Cl ZINC000070591994 323202375 /nfs/dbraw/zinc/20/23/75/323202375.db2.gz JUDARWHYKCKJEG-LLVKDONJSA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000070591995 323202430 /nfs/dbraw/zinc/20/24/30/323202430.db2.gz SLQIEWDVULNSSW-JTQLQIEISA-N 1 0 209.720 3.567 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000070591996 323202441 /nfs/dbraw/zinc/20/24/41/323202441.db2.gz SLQIEWDVULNSSW-SNVBAGLBSA-N 1 0 209.720 3.567 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000070591997 323202454 /nfs/dbraw/zinc/20/24/54/323202454.db2.gz CHGZUIIBXCBHMX-NSHDSACASA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000070591998 323202345 /nfs/dbraw/zinc/20/23/45/323202345.db2.gz CHGZUIIBXCBHMX-LLVKDONJSA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccccc1C ZINC000070592005 323202373 /nfs/dbraw/zinc/20/23/73/323202373.db2.gz LBZXITOYSDFAAF-CYBMUJFWSA-N 1 0 203.329 3.612 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccccc1C ZINC000070592006 323202384 /nfs/dbraw/zinc/20/23/84/323202384.db2.gz LBZXITOYSDFAAF-ZDUSSCGKSA-N 1 0 203.329 3.612 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1cccs1 ZINC000070592019 323201900 /nfs/dbraw/zinc/20/19/00/323201900.db2.gz VNIQRNZPPRDKPM-NSHDSACASA-N 1 0 209.358 3.755 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1cccs1 ZINC000070592020 322902196 /nfs/dbraw/zinc/90/21/96/322902196.db2.gz VNIQRNZPPRDKPM-LLVKDONJSA-N 1 0 209.358 3.755 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000070592041 323201895 /nfs/dbraw/zinc/20/18/95/323201895.db2.gz BSCVALYTOYUNKH-CYBMUJFWSA-N 1 0 203.329 3.612 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000070592042 323201905 /nfs/dbraw/zinc/20/19/05/323201905.db2.gz BSCVALYTOYUNKH-ZDUSSCGKSA-N 1 0 203.329 3.612 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000070592100 353259941 /nfs/dbraw/zinc/25/99/41/353259941.db2.gz JVAQLCJHTBQCRY-AWEZNQCLSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCCC[NH2+][C@H](C)CCc1ccccc1 ZINC000070592101 323201909 /nfs/dbraw/zinc/20/19/09/323201909.db2.gz JVAQLCJHTBQCRY-CQSZACIVSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000070592138 534736789 /nfs/dbraw/zinc/73/67/89/534736789.db2.gz CRSPBNLFCWYFDU-LLVKDONJSA-N 1 0 207.317 3.513 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000070592139 534733800 /nfs/dbraw/zinc/73/38/00/534733800.db2.gz CRSPBNLFCWYFDU-NSHDSACASA-N 1 0 207.317 3.513 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccccc1 ZINC000070592240 343333762 /nfs/dbraw/zinc/33/37/62/343333762.db2.gz IJCNCQABAZSOJO-AWEZNQCLSA-N 1 0 203.329 3.694 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccccc1 ZINC000070592241 343333936 /nfs/dbraw/zinc/33/39/36/343333936.db2.gz IJCNCQABAZSOJO-CQSZACIVSA-N 1 0 203.329 3.694 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000070592317 323201907 /nfs/dbraw/zinc/20/19/07/323201907.db2.gz JFZARGHYIAOOTA-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000070592342 343333852 /nfs/dbraw/zinc/33/38/52/343333852.db2.gz DVSGYJFMAPOKRY-GFCCVEGCSA-N 1 0 221.369 3.681 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCc2sccc21 ZINC000070592343 343333661 /nfs/dbraw/zinc/33/36/61/343333661.db2.gz DVSGYJFMAPOKRY-LBPRGKRZSA-N 1 0 221.369 3.681 20 30 BHEDRO C=CCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000070592360 323201831 /nfs/dbraw/zinc/20/18/31/323201831.db2.gz GDHSZHMKFKWOKL-AWEZNQCLSA-N 1 0 217.356 3.736 20 30 BHEDRO C=CCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000070592361 323201793 /nfs/dbraw/zinc/20/17/93/323201793.db2.gz GDHSZHMKFKWOKL-CQSZACIVSA-N 1 0 217.356 3.736 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC)c1ccccc1 ZINC000070594398 134992693 /nfs/dbraw/zinc/99/26/93/134992693.db2.gz BMONPGIAELYUEQ-AWEZNQCLSA-N 1 0 203.329 3.694 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC)c1ccccc1 ZINC000070594399 343333655 /nfs/dbraw/zinc/33/36/55/343333655.db2.gz BMONPGIAELYUEQ-CQSZACIVSA-N 1 0 203.329 3.694 20 30 BHEDRO CC[C@@H](C)[N@H+](CCCCC#N)Cc1ccccc1 ZINC000070977438 343341310 /nfs/dbraw/zinc/34/13/10/343341310.db2.gz FALOLQQIXUKQDG-OAHLLOKOSA-N 1 0 244.382 3.981 20 30 BHEDRO CC[C@H](C)[N@H+](CCCCC#N)Cc1ccccc1 ZINC000070977440 343341346 /nfs/dbraw/zinc/34/13/46/343341346.db2.gz FALOLQQIXUKQDG-HNNXBMFYSA-N 1 0 244.382 3.981 20 30 BHEDRO CCC[N@H+](CCCCC#N)Cc1ccccc1 ZINC000071016084 384148758 /nfs/dbraw/zinc/14/87/58/384148758.db2.gz HQXLULMXLWKNPF-UHFFFAOYSA-N 1 0 230.355 3.592 20 30 BHEDRO CC(C)c1ccc(C[N@H+](C)CCCCC#N)cc1 ZINC000071016260 384149033 /nfs/dbraw/zinc/14/90/33/384149033.db2.gz NOTXILXXVMYRJT-UHFFFAOYSA-N 1 0 244.382 3.936 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000071203001 359073790 /nfs/dbraw/zinc/07/37/90/359073790.db2.gz OVKHPFKDDSNCIM-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000071203002 359073663 /nfs/dbraw/zinc/07/36/63/359073663.db2.gz OVKHPFKDDSNCIM-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000071205954 325061496 /nfs/dbraw/zinc/06/14/96/325061496.db2.gz MEXMVCVPXIYWOU-CJNGLKHVSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000071205955 325061747 /nfs/dbraw/zinc/06/17/47/325061747.db2.gz MEXMVCVPXIYWOU-BBRMVZONSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000071205956 325061617 /nfs/dbraw/zinc/06/16/17/325061617.db2.gz MEXMVCVPXIYWOU-CZUORRHYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000071205957 325061761 /nfs/dbraw/zinc/06/17/61/325061761.db2.gz MEXMVCVPXIYWOU-XJKSGUPXSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1C ZINC000071206458 388068466 /nfs/dbraw/zinc/06/84/66/388068466.db2.gz HMIVFEUPDKCFQD-HIFRSBDPSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000071206459 323888385 /nfs/dbraw/zinc/88/83/85/323888385.db2.gz HMIVFEUPDKCFQD-ZFWWWQNUSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000071206460 388068606 /nfs/dbraw/zinc/06/86/06/388068606.db2.gz HMIVFEUPDKCFQD-UKRRQHHQSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000071206461 388068163 /nfs/dbraw/zinc/06/81/63/388068163.db2.gz HMIVFEUPDKCFQD-DZGCQCFKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000071275344 325065736 /nfs/dbraw/zinc/06/57/36/325065736.db2.gz JBWUXVXTRIBJHV-UHFFFAOYSA-N 1 0 243.272 3.761 20 30 BHEDRO C=CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000071275403 325064309 /nfs/dbraw/zinc/06/43/09/325064309.db2.gz AITBFWJXLPEWII-UHFFFAOYSA-N 1 0 237.346 3.942 20 30 BHEDRO C=CCCC[NH2+]Cc1cccc2ccccc21 ZINC000071275487 323907784 /nfs/dbraw/zinc/90/77/84/323907784.db2.gz OPDCHSDNODORCH-UHFFFAOYSA-N 1 0 225.335 3.896 20 30 BHEDRO C=CCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000071275490 323907638 /nfs/dbraw/zinc/90/76/38/323907638.db2.gz GHDMBSNAIWJKPG-UHFFFAOYSA-N 1 0 243.272 3.761 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000071275492 323907826 /nfs/dbraw/zinc/90/78/26/323907826.db2.gz OIIVSFIPINPRRI-UHFFFAOYSA-N 1 0 243.272 3.761 20 30 BHEDRO CCCCCCC[NH2+]Cc1nc2ccccc2o1 ZINC000071341705 645888909 /nfs/dbraw/zinc/88/89/09/645888909.db2.gz IJNXXLGAHQAANG-UHFFFAOYSA-N 1 0 246.354 3.888 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)cc(C)c1 ZINC000071805263 323174110 /nfs/dbraw/zinc/17/41/10/323174110.db2.gz CORHIENETXXRDW-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072666117 368776959 /nfs/dbraw/zinc/77/69/59/368776959.db2.gz QDWNGWFVPDKDRM-LBPRGKRZSA-N 1 0 248.326 3.554 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072666118 368777093 /nfs/dbraw/zinc/77/70/93/368777093.db2.gz QDWNGWFVPDKDRM-GFCCVEGCSA-N 1 0 248.326 3.554 20 30 BHEDRO C=CCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072802764 353278305 /nfs/dbraw/zinc/27/83/05/353278305.db2.gz WGTULNKBRFTAEI-GFCCVEGCSA-N 1 0 244.363 3.619 20 30 BHEDRO C=CCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000072802766 353278354 /nfs/dbraw/zinc/27/83/54/353278354.db2.gz WGTULNKBRFTAEI-LBPRGKRZSA-N 1 0 244.363 3.619 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000073432230 364228434 /nfs/dbraw/zinc/22/84/34/364228434.db2.gz SQODMXBXNFBXGQ-JTQLQIEISA-N 1 0 225.282 3.534 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000073432232 364228829 /nfs/dbraw/zinc/22/88/29/364228829.db2.gz SQODMXBXNFBXGQ-SNVBAGLBSA-N 1 0 225.282 3.534 20 30 BHEDRO CCCCC[N@H+](CCCSCC#N)C(C)C ZINC000074981585 325273390 /nfs/dbraw/zinc/27/33/90/325273390.db2.gz YZSLIOAPHXHEBN-UHFFFAOYSA-N 1 0 242.432 3.534 20 30 BHEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCC#N)C1 ZINC000075842794 359226931 /nfs/dbraw/zinc/22/69/31/359226931.db2.gz UKAZKYHVZQYCMF-IUODEOHRSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCC#N)C1 ZINC000075842795 359227209 /nfs/dbraw/zinc/22/72/09/359227209.db2.gz UKAZKYHVZQYCMF-SWLSCSKDSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCC#N)C1 ZINC000075842796 359226526 /nfs/dbraw/zinc/22/65/26/359226526.db2.gz UKAZKYHVZQYCMF-DOMZBBRYSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCC#N)C1 ZINC000075842797 359227026 /nfs/dbraw/zinc/22/70/26/359227026.db2.gz UKAZKYHVZQYCMF-WFASDCNBSA-N 1 0 246.329 3.512 20 30 BHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CCC#N ZINC000075885696 344786444 /nfs/dbraw/zinc/78/64/44/344786444.db2.gz KPBHUBUZTJSENB-INIZCTEOSA-N 1 0 244.382 3.552 20 30 BHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CCC#N ZINC000075885697 344786768 /nfs/dbraw/zinc/78/67/68/344786768.db2.gz KPBHUBUZTJSENB-MRXNPFEDSA-N 1 0 244.382 3.552 20 30 BHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCCC#N ZINC000075885824 359232853 /nfs/dbraw/zinc/23/28/53/359232853.db2.gz XGOCGGWOVWKZJM-INIZCTEOSA-N 1 0 244.382 3.552 20 30 BHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCCC#N ZINC000075885825 359232689 /nfs/dbraw/zinc/23/26/89/359232689.db2.gz XGOCGGWOVWKZJM-MRXNPFEDSA-N 1 0 244.382 3.552 20 30 BHEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCCC#N)C1 ZINC000075900216 359247182 /nfs/dbraw/zinc/24/71/82/359247182.db2.gz VADRZNQMXXOLCW-IUODEOHRSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCCC#N)C1 ZINC000075900218 359246946 /nfs/dbraw/zinc/24/69/46/359246946.db2.gz VADRZNQMXXOLCW-SWLSCSKDSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCCC#N)C1 ZINC000075900219 359247154 /nfs/dbraw/zinc/24/71/54/359247154.db2.gz VADRZNQMXXOLCW-DOMZBBRYSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCCC#N)C1 ZINC000075900220 359247195 /nfs/dbraw/zinc/24/71/95/359247195.db2.gz VADRZNQMXXOLCW-WFASDCNBSA-N 1 0 246.329 3.512 20 30 BHEDRO C=CCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964033 325323660 /nfs/dbraw/zinc/32/36/60/325323660.db2.gz VTFUNGNTFQALRL-AWEZNQCLSA-N 1 0 247.407 3.677 20 30 BHEDRO C=CCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964035 325323602 /nfs/dbraw/zinc/32/36/02/325323602.db2.gz VTFUNGNTFQALRL-CQSZACIVSA-N 1 0 247.407 3.677 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000076071423 534714361 /nfs/dbraw/zinc/71/43/61/534714361.db2.gz UPUUQAOTDNWJPB-QWHCGFSZSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000076071424 166234557 /nfs/dbraw/zinc/23/45/57/166234557.db2.gz UPUUQAOTDNWJPB-STQMWFEESA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000076071425 166233037 /nfs/dbraw/zinc/23/30/37/166233037.db2.gz UPUUQAOTDNWJPB-CHWSQXEVSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000076071426 166232835 /nfs/dbraw/zinc/23/28/35/166232835.db2.gz UPUUQAOTDNWJPB-OLZOCXBDSA-N 1 0 227.417 3.559 20 30 BHEDRO CCC[C@]1(C)CCC[N@H+](CCCCC#N)C1 ZINC000076145939 135013108 /nfs/dbraw/zinc/01/31/08/135013108.db2.gz MOONMTPFDCOFRH-CQSZACIVSA-N 1 0 222.376 3.582 20 30 BHEDRO CCC[C@@]1(C)CCC[N@H+](CCCCC#N)C1 ZINC000076145940 535553660 /nfs/dbraw/zinc/55/36/60/535553660.db2.gz MOONMTPFDCOFRH-AWEZNQCLSA-N 1 0 222.376 3.582 20 30 BHEDRO C=CC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000076692951 344031633 /nfs/dbraw/zinc/03/16/33/344031633.db2.gz XSRGUNSMPVKXHS-UHFFFAOYSA-N 1 0 243.272 3.716 20 30 BHEDRO N#CCCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000076748369 398246057 /nfs/dbraw/zinc/24/60/57/398246057.db2.gz HKRSUIMQTQMDBJ-INIZCTEOSA-N 1 0 242.366 3.907 20 30 BHEDRO N#CCCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000076748370 398246086 /nfs/dbraw/zinc/24/60/86/398246086.db2.gz HKRSUIMQTQMDBJ-MRXNPFEDSA-N 1 0 242.366 3.907 20 30 BHEDRO C=C(C)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076804360 370356086 /nfs/dbraw/zinc/35/60/86/370356086.db2.gz ZWQCLUSCUGIZSN-CYBMUJFWSA-N 1 0 219.328 3.773 20 30 BHEDRO C=C(C)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000076804364 370356041 /nfs/dbraw/zinc/35/60/41/370356041.db2.gz ZWQCLUSCUGIZSN-ZDUSSCGKSA-N 1 0 219.328 3.773 20 30 BHEDRO N#CCCCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000076804521 487840259 /nfs/dbraw/zinc/84/02/59/487840259.db2.gz SDJXKEFHCJJWTA-AWEZNQCLSA-N 1 0 246.354 3.891 20 30 BHEDRO N#CCCCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076804525 487840320 /nfs/dbraw/zinc/84/03/20/487840320.db2.gz SDJXKEFHCJJWTA-CQSZACIVSA-N 1 0 246.354 3.891 20 30 BHEDRO C=CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000077250820 325371659 /nfs/dbraw/zinc/37/16/59/325371659.db2.gz GEVFOZAFTUITNJ-UHFFFAOYSA-N 1 0 243.272 3.627 20 30 BHEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCCC#N ZINC000077364341 135062904 /nfs/dbraw/zinc/06/29/04/135062904.db2.gz GZNLRESGEZLIOD-AWEZNQCLSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCCC#N ZINC000077364343 135063123 /nfs/dbraw/zinc/06/31/23/135063123.db2.gz GZNLRESGEZLIOD-CQSZACIVSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@@H](c1ccccc1)[N@H+](CCC#N)CC1CCC1 ZINC000077372585 135063331 /nfs/dbraw/zinc/06/33/31/135063331.db2.gz IPBXDMBPKHKBDK-AWEZNQCLSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H](c1ccccc1)[N@H+](CCC#N)CC1CCC1 ZINC000077372587 135063275 /nfs/dbraw/zinc/06/32/75/135063275.db2.gz IPBXDMBPKHKBDK-CQSZACIVSA-N 1 0 242.366 3.763 20 30 BHEDRO CC(C)(C)[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000077409818 135066260 /nfs/dbraw/zinc/06/62/60/135066260.db2.gz CXORGMGZKXJUQJ-CQSZACIVSA-N 1 0 230.355 3.667 20 30 BHEDRO CC(C)(C)[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000077409819 535056230 /nfs/dbraw/zinc/05/62/30/535056230.db2.gz CXORGMGZKXJUQJ-AWEZNQCLSA-N 1 0 230.355 3.667 20 30 BHEDRO Cc1cccc(CN(CCC#N)CC(C)(C)C)c1 ZINC000078643646 136273005 /nfs/dbraw/zinc/27/30/05/136273005.db2.gz NBJMUPAHINMUQX-UHFFFAOYSA-N 1 0 244.382 3.757 20 30 BHEDRO C=CC[N@@H+](CCCCC)Cc1cccc(C#N)c1 ZINC000078775013 370599627 /nfs/dbraw/zinc/59/96/27/370599627.db2.gz LSACBXPNEXAFCE-UHFFFAOYSA-N 1 0 242.366 3.736 20 30 BHEDRO N#CCCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000078830682 181036140 /nfs/dbraw/zinc/03/61/40/181036140.db2.gz STLYBWXCOIRBLA-ZDUSSCGKSA-N 1 0 232.327 3.500 20 30 BHEDRO N#CCCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000078830694 181036198 /nfs/dbraw/zinc/03/61/98/181036198.db2.gz STLYBWXCOIRBLA-CYBMUJFWSA-N 1 0 232.327 3.500 20 30 BHEDRO CC[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000079054280 388689897 /nfs/dbraw/zinc/68/98/97/388689897.db2.gz ZIYUDJXIQFLSBR-CQSZACIVSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000079054283 388689182 /nfs/dbraw/zinc/68/91/82/388689182.db2.gz ZIYUDJXIQFLSBR-AWEZNQCLSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000079054563 388689437 /nfs/dbraw/zinc/68/94/37/388689437.db2.gz JRZGPVPQVNGPLW-CQSZACIVSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000079054569 388691482 /nfs/dbraw/zinc/69/14/82/388691482.db2.gz JRZGPVPQVNGPLW-AWEZNQCLSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000079054647 388690915 /nfs/dbraw/zinc/69/09/15/388690915.db2.gz MULSPGIDIQEUMX-CQSZACIVSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000079054651 388690937 /nfs/dbraw/zinc/69/09/37/388690937.db2.gz MULSPGIDIQEUMX-AWEZNQCLSA-N 1 0 242.366 3.570 20 30 BHEDRO CC1(C)CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000079627058 135342620 /nfs/dbraw/zinc/34/26/20/135342620.db2.gz JFXBZQBJAPMSGW-UHFFFAOYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000079627066 135342985 /nfs/dbraw/zinc/34/29/85/135342985.db2.gz GUFJSJHTMVSSQW-UHFFFAOYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000079678689 636794108 /nfs/dbraw/zinc/79/41/08/636794108.db2.gz DURHNQMQOYOUKD-UHFFFAOYSA-N 1 0 241.378 3.597 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000079977558 388703014 /nfs/dbraw/zinc/70/30/14/388703014.db2.gz AQEYKIGBMCPAHT-HNNXBMFYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000079977563 388703252 /nfs/dbraw/zinc/70/32/52/388703252.db2.gz AQEYKIGBMCPAHT-OAHLLOKOSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000079977566 388703260 /nfs/dbraw/zinc/70/32/60/388703260.db2.gz RLALLZUWBXEQAO-HNNXBMFYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000079977568 323784239 /nfs/dbraw/zinc/78/42/39/323784239.db2.gz RLALLZUWBXEQAO-OAHLLOKOSA-N 1 0 242.366 3.617 20 30 BHEDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000081045573 385016056 /nfs/dbraw/zinc/01/60/56/385016056.db2.gz AWDWFUBIAHYYLR-STQMWFEESA-N 1 0 230.355 3.501 20 30 BHEDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000081045577 385016003 /nfs/dbraw/zinc/01/60/03/385016003.db2.gz AWDWFUBIAHYYLR-OLZOCXBDSA-N 1 0 230.355 3.501 20 30 BHEDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000081045581 325489067 /nfs/dbraw/zinc/48/90/67/325489067.db2.gz AWDWFUBIAHYYLR-QWHCGFSZSA-N 1 0 230.355 3.501 20 30 BHEDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000081045583 385015555 /nfs/dbraw/zinc/01/55/55/385015555.db2.gz AWDWFUBIAHYYLR-CHWSQXEVSA-N 1 0 230.355 3.501 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1 ZINC000081045951 388567279 /nfs/dbraw/zinc/56/72/79/388567279.db2.gz SIJCYEZFLSPAPO-AWEZNQCLSA-N 1 0 247.382 3.633 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000081045954 325489434 /nfs/dbraw/zinc/48/94/34/325489434.db2.gz SIJCYEZFLSPAPO-CQSZACIVSA-N 1 0 247.382 3.633 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)C(C)C ZINC000081046087 388566480 /nfs/dbraw/zinc/56/64/80/388566480.db2.gz KCKZFIUUJFQVGX-AWEZNQCLSA-N 1 0 247.382 3.633 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](C)C(C)C ZINC000081046090 325489407 /nfs/dbraw/zinc/48/94/07/325489407.db2.gz KCKZFIUUJFQVGX-CQSZACIVSA-N 1 0 247.382 3.633 20 30 BHEDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000081046310 322812157 /nfs/dbraw/zinc/81/21/57/322812157.db2.gz OVMDGDOGDPVEPP-STQMWFEESA-N 1 0 230.355 3.501 20 30 BHEDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000081046311 322812258 /nfs/dbraw/zinc/81/22/58/322812258.db2.gz OVMDGDOGDPVEPP-OLZOCXBDSA-N 1 0 230.355 3.501 20 30 BHEDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000081046313 388717229 /nfs/dbraw/zinc/71/72/29/388717229.db2.gz OVMDGDOGDPVEPP-QWHCGFSZSA-N 1 0 230.355 3.501 20 30 BHEDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000081046315 388716807 /nfs/dbraw/zinc/71/68/07/388716807.db2.gz OVMDGDOGDPVEPP-CHWSQXEVSA-N 1 0 230.355 3.501 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000083435772 343601710 /nfs/dbraw/zinc/60/17/10/343601710.db2.gz XTJQRJOCTLMAGV-RDBSUJKOSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000083435774 343602176 /nfs/dbraw/zinc/60/21/76/343602176.db2.gz XTJQRJOCTLMAGV-HZSPNIEDSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000083435776 343602191 /nfs/dbraw/zinc/60/21/91/343602191.db2.gz UTUQEKYJYVWXDO-QWHCGFSZSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000083435777 343602187 /nfs/dbraw/zinc/60/21/87/343602187.db2.gz UTUQEKYJYVWXDO-CHWSQXEVSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000083435778 343601670 /nfs/dbraw/zinc/60/16/70/343601670.db2.gz UTUQEKYJYVWXDO-STQMWFEESA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000083435779 343602167 /nfs/dbraw/zinc/60/21/67/343602167.db2.gz UTUQEKYJYVWXDO-OLZOCXBDSA-N 1 0 222.376 3.627 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)s1 ZINC000083638513 643601348 /nfs/dbraw/zinc/60/13/48/643601348.db2.gz PXSRIBMVRKQBRL-LLVKDONJSA-N 1 0 236.384 3.647 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)s1 ZINC000083638514 643601472 /nfs/dbraw/zinc/60/14/72/643601472.db2.gz PXSRIBMVRKQBRL-NSHDSACASA-N 1 0 236.384 3.647 20 30 BHEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)c1cccs1 ZINC000083638566 387418476 /nfs/dbraw/zinc/41/84/76/387418476.db2.gz LRJGFUHYLLLMFL-NSHDSACASA-N 1 0 236.384 3.729 20 30 BHEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)c1cccs1 ZINC000083638567 387417599 /nfs/dbraw/zinc/41/75/99/387417599.db2.gz LRJGFUHYLLLMFL-LLVKDONJSA-N 1 0 236.384 3.729 20 30 BHEDRO CC(C)(C)CC(C)(C)[NH2+]CCC(C)(C)C#N ZINC000083638607 259338429 /nfs/dbraw/zinc/33/84/29/259338429.db2.gz LWNWXOPVAXYXJV-UHFFFAOYSA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000083640178 384798309 /nfs/dbraw/zinc/79/83/09/384798309.db2.gz QAYFZUFCEBZXPE-CJNGLKHVSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000083640180 384798177 /nfs/dbraw/zinc/79/81/77/384798177.db2.gz QAYFZUFCEBZXPE-BBRMVZONSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000083640182 384798445 /nfs/dbraw/zinc/79/84/45/384798445.db2.gz QAYFZUFCEBZXPE-CZUORRHYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000083640185 384797528 /nfs/dbraw/zinc/79/75/28/384797528.db2.gz QAYFZUFCEBZXPE-XJKSGUPXSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000083640187 256754127 /nfs/dbraw/zinc/75/41/27/256754127.db2.gz FQVXAWDRGZQDIP-CJNGLKHVSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000083640188 384796833 /nfs/dbraw/zinc/79/68/33/384796833.db2.gz FQVXAWDRGZQDIP-BBRMVZONSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000083640191 384797939 /nfs/dbraw/zinc/79/79/39/384797939.db2.gz FQVXAWDRGZQDIP-CZUORRHYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000083640194 256754375 /nfs/dbraw/zinc/75/43/75/256754375.db2.gz FQVXAWDRGZQDIP-XJKSGUPXSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccsc1 ZINC000083641051 384800565 /nfs/dbraw/zinc/80/05/65/384800565.db2.gz ANBYSUDSJVXFBE-NSHDSACASA-N 1 0 236.384 3.729 20 30 BHEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccsc1 ZINC000083641052 384801439 /nfs/dbraw/zinc/80/14/39/384801439.db2.gz ANBYSUDSJVXFBE-LLVKDONJSA-N 1 0 236.384 3.729 20 30 BHEDRO CCC(CC)(CC)[NH2+]CCCC(C)(C)C#N ZINC000083641156 256754069 /nfs/dbraw/zinc/75/40/69/256754069.db2.gz OVSKNVSYMCFERN-UHFFFAOYSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCCC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000083853975 631430125 /nfs/dbraw/zinc/43/01/25/631430125.db2.gz KQTKMIFUAYNDAW-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000083853976 631430565 /nfs/dbraw/zinc/43/05/65/631430565.db2.gz KQTKMIFUAYNDAW-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084137536 387437401 /nfs/dbraw/zinc/43/74/01/387437401.db2.gz RZCWUVRKXHVLLY-UHFFFAOYSA-N 1 0 235.293 3.617 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000085057704 387470928 /nfs/dbraw/zinc/47/09/28/387470928.db2.gz JBCMOLAISDEMEJ-NSHDSACASA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000085057708 387471454 /nfs/dbraw/zinc/47/14/54/387471454.db2.gz JBCMOLAISDEMEJ-LLVKDONJSA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000085057893 387470234 /nfs/dbraw/zinc/47/02/34/387470234.db2.gz JLZLEKHYTGOQSX-NSHDSACASA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000085057895 387470695 /nfs/dbraw/zinc/47/06/95/387470695.db2.gz JLZLEKHYTGOQSX-LLVKDONJSA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000085057952 387471011 /nfs/dbraw/zinc/47/10/11/387471011.db2.gz GQFIZCQLDMCBJJ-NSHDSACASA-N 1 0 223.385 3.982 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000085057955 387470811 /nfs/dbraw/zinc/47/08/11/387470811.db2.gz GQFIZCQLDMCBJJ-LLVKDONJSA-N 1 0 223.385 3.982 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000085057964 322924254 /nfs/dbraw/zinc/92/42/54/322924254.db2.gz JOIAPPDFKRBSQN-NSHDSACASA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccccc1Cl ZINC000085057967 387471506 /nfs/dbraw/zinc/47/15/06/387471506.db2.gz JOIAPPDFKRBSQN-LLVKDONJSA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000085057969 387470917 /nfs/dbraw/zinc/47/09/17/387470917.db2.gz ZCTDZGPWXWBHBQ-NSHDSACASA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000085057971 387470833 /nfs/dbraw/zinc/47/08/33/387470833.db2.gz ZCTDZGPWXWBHBQ-LLVKDONJSA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccccc1C ZINC000085057979 387471037 /nfs/dbraw/zinc/47/10/37/387471037.db2.gz JTEJMLHTXWUEQL-ZDUSSCGKSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccccc1C ZINC000085057982 256766185 /nfs/dbraw/zinc/76/61/85/256766185.db2.gz JTEJMLHTXWUEQL-CYBMUJFWSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1cccs1 ZINC000085058006 387470612 /nfs/dbraw/zinc/47/06/12/387470612.db2.gz MWPKCKMKWLCZDH-NSHDSACASA-N 1 0 209.358 3.755 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1cccs1 ZINC000085058010 387470471 /nfs/dbraw/zinc/47/04/71/387470471.db2.gz MWPKCKMKWLCZDH-LLVKDONJSA-N 1 0 209.358 3.755 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000085058039 387471591 /nfs/dbraw/zinc/47/15/91/387471591.db2.gz PNLVRDSMINNENS-ZDUSSCGKSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000085058041 387470964 /nfs/dbraw/zinc/47/09/64/387470964.db2.gz PNLVRDSMINNENS-CYBMUJFWSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000085058121 256766413 /nfs/dbraw/zinc/76/64/13/256766413.db2.gz KYQAIBZMBBXGPX-AWEZNQCLSA-N 1 0 217.356 3.564 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)CCc1ccccc1 ZINC000085058122 387471284 /nfs/dbraw/zinc/47/12/84/387471284.db2.gz KYQAIBZMBBXGPX-CQSZACIVSA-N 1 0 217.356 3.564 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000085058171 384481040 /nfs/dbraw/zinc/48/10/40/384481040.db2.gz QUUVKIZPQHVRLM-NSHDSACASA-N 1 0 207.317 3.513 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000085058175 384479851 /nfs/dbraw/zinc/47/98/51/384479851.db2.gz QUUVKIZPQHVRLM-LLVKDONJSA-N 1 0 207.317 3.513 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccccc1 ZINC000085058310 534420187 /nfs/dbraw/zinc/42/01/87/534420187.db2.gz CSVDHWMNKWTXLT-AWEZNQCLSA-N 1 0 203.329 3.694 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1ccccc1 ZINC000085058314 534420509 /nfs/dbraw/zinc/42/05/09/534420509.db2.gz CSVDHWMNKWTXLT-CQSZACIVSA-N 1 0 203.329 3.694 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCCc2sccc21 ZINC000085058454 534419872 /nfs/dbraw/zinc/41/98/72/534419872.db2.gz WXCBXSZMMVWPRG-GFCCVEGCSA-N 1 0 221.369 3.681 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCCc2sccc21 ZINC000085058457 534420325 /nfs/dbraw/zinc/42/03/25/534420325.db2.gz WXCBXSZMMVWPRG-LBPRGKRZSA-N 1 0 221.369 3.681 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000085065072 636874676 /nfs/dbraw/zinc/87/46/76/636874676.db2.gz PVGSLGWPMMNRSJ-WBVHZDCISA-N 1 0 241.378 3.597 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000085065073 636875167 /nfs/dbraw/zinc/87/51/67/636875167.db2.gz PVGSLGWPMMNRSJ-RDJZCZTQSA-N 1 0 241.378 3.597 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000085065076 636874918 /nfs/dbraw/zinc/87/49/18/636874918.db2.gz PVGSLGWPMMNRSJ-NVXWUHKLSA-N 1 0 241.378 3.597 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000085065077 644434864 /nfs/dbraw/zinc/43/48/64/644434864.db2.gz PVGSLGWPMMNRSJ-DOTOQJQBSA-N 1 0 241.378 3.597 20 30 BHEDRO C=C(C)[C@@H]([NH2+]CCC)c1ccc(F)c(F)c1 ZINC000086026057 387514504 /nfs/dbraw/zinc/51/45/04/387514504.db2.gz YGOBRIBQYFTTHL-CYBMUJFWSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)[C@H]([NH2+]CCC)c1ccc(F)c(F)c1 ZINC000086026061 387513554 /nfs/dbraw/zinc/51/35/54/387513554.db2.gz YGOBRIBQYFTTHL-ZDUSSCGKSA-N 1 0 225.282 3.582 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500101 644144063 /nfs/dbraw/zinc/14/40/63/644144063.db2.gz YKWVOESDFXNEKW-LLVKDONJSA-N 1 0 236.384 3.678 20 30 BHEDRO CCCCC[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500102 644144402 /nfs/dbraw/zinc/14/44/02/644144402.db2.gz YKWVOESDFXNEKW-NSHDSACASA-N 1 0 236.384 3.678 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500104 386162872 /nfs/dbraw/zinc/16/28/72/386162872.db2.gz UWVDPHYSNMCPER-LLVKDONJSA-N 1 0 236.384 3.534 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500105 386162496 /nfs/dbraw/zinc/16/24/96/386162496.db2.gz UWVDPHYSNMCPER-NSHDSACASA-N 1 0 236.384 3.534 20 30 BHEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccs1 ZINC000086500129 388368288 /nfs/dbraw/zinc/36/82/88/388368288.db2.gz XTWKVNSANSIUIC-SECBINFHSA-N 1 0 248.376 3.532 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1cc(C#N)cs1 ZINC000086500344 386161519 /nfs/dbraw/zinc/16/15/19/386161519.db2.gz IHBLWBPXJMPYJU-UHFFFAOYSA-N 1 0 236.384 3.678 20 30 BHEDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500346 386160014 /nfs/dbraw/zinc/16/00/14/386160014.db2.gz KNDXGACFZFTYKG-GHMZBOCLSA-N 1 0 236.384 3.534 20 30 BHEDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500347 386161268 /nfs/dbraw/zinc/16/12/68/386161268.db2.gz KNDXGACFZFTYKG-WDEREUQCSA-N 1 0 236.384 3.534 20 30 BHEDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500348 256569777 /nfs/dbraw/zinc/56/97/77/256569777.db2.gz KNDXGACFZFTYKG-MNOVXSKESA-N 1 0 236.384 3.534 20 30 BHEDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500349 386162103 /nfs/dbraw/zinc/16/21/03/386162103.db2.gz KNDXGACFZFTYKG-QWRGUYRKSA-N 1 0 236.384 3.534 20 30 BHEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccsc1 ZINC000086573720 352348405 /nfs/dbraw/zinc/34/84/05/352348405.db2.gz ZXTZYTBEIRXMSO-VIFPVBQESA-N 1 0 248.376 3.532 20 30 BHEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccsc1 ZINC000086573721 352348425 /nfs/dbraw/zinc/34/84/25/352348425.db2.gz ZXTZYTBEIRXMSO-SECBINFHSA-N 1 0 248.376 3.532 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000086642265 386216207 /nfs/dbraw/zinc/21/62/07/386216207.db2.gz BKYNHLWSRAXGCQ-UHFFFAOYSA-N 1 0 230.355 3.617 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1cccc(C#N)c1 ZINC000086642374 386217116 /nfs/dbraw/zinc/21/71/16/386217116.db2.gz XWBNMCRLXZQRAF-UHFFFAOYSA-N 1 0 230.355 3.617 20 30 BHEDRO CCC(CC)(CC)[NH2+]CC#Cc1ccccc1 ZINC000086642613 256797369 /nfs/dbraw/zinc/79/73/69/256797369.db2.gz LKZHCBCLCNJMQH-UHFFFAOYSA-N 1 0 229.367 3.597 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1cc(C#N)ccc1F ZINC000086642617 386214748 /nfs/dbraw/zinc/21/47/48/386214748.db2.gz NPOSOAMBSDQYOU-UHFFFAOYSA-N 1 0 248.345 3.756 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000086642670 256797268 /nfs/dbraw/zinc/79/72/68/256797268.db2.gz UIFCYTZQRPGFLB-UHFFFAOYSA-N 1 0 248.345 3.756 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000086887786 386999937 /nfs/dbraw/zinc/99/99/37/386999937.db2.gz LAXDFBPMXQHUFH-CJNGLKHVSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000086887790 135498599 /nfs/dbraw/zinc/49/85/99/135498599.db2.gz LAXDFBPMXQHUFH-BBRMVZONSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000086887792 387000466 /nfs/dbraw/zinc/00/04/66/387000466.db2.gz LAXDFBPMXQHUFH-CZUORRHYSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000086887794 387000450 /nfs/dbraw/zinc/00/04/50/387000450.db2.gz LAXDFBPMXQHUFH-XJKSGUPXSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000086887798 387001125 /nfs/dbraw/zinc/00/11/25/387001125.db2.gz SAQGMTHPXNSDNW-CJNGLKHVSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000086887801 387003443 /nfs/dbraw/zinc/00/34/43/387003443.db2.gz SAQGMTHPXNSDNW-BBRMVZONSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000086887804 135498620 /nfs/dbraw/zinc/49/86/20/135498620.db2.gz SAQGMTHPXNSDNW-CZUORRHYSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000086887808 387001367 /nfs/dbraw/zinc/00/13/67/387001367.db2.gz SAQGMTHPXNSDNW-XJKSGUPXSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H](C#N)C[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000086958183 385059610 /nfs/dbraw/zinc/05/96/10/385059610.db2.gz LQFGXXMQBUQRAA-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](C#N)C[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000086958186 388693974 /nfs/dbraw/zinc/69/39/74/388693974.db2.gz LQFGXXMQBUQRAA-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087369073 384922446 /nfs/dbraw/zinc/92/24/46/384922446.db2.gz BGEOBFVVIUYPEU-LBPRGKRZSA-N 1 0 221.319 3.751 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087369077 256523322 /nfs/dbraw/zinc/52/33/22/256523322.db2.gz BGEOBFVVIUYPEU-GFCCVEGCSA-N 1 0 221.319 3.751 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087369630 256523289 /nfs/dbraw/zinc/52/32/89/256523289.db2.gz LADXXYNNWGTVND-GFCCVEGCSA-N 1 0 221.319 3.751 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087369632 384933010 /nfs/dbraw/zinc/93/30/10/384933010.db2.gz LADXXYNNWGTVND-LBPRGKRZSA-N 1 0 221.319 3.751 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087369705 643656673 /nfs/dbraw/zinc/65/66/73/643656673.db2.gz YOPPDJDDTOTEAY-SNVBAGLBSA-N 1 0 227.710 3.537 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087369707 644492906 /nfs/dbraw/zinc/49/29/06/644492906.db2.gz YOPPDJDDTOTEAY-JTQLQIEISA-N 1 0 227.710 3.537 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000087591724 136211915 /nfs/dbraw/zinc/21/19/15/136211915.db2.gz FOQMUTBUKWWPEI-CYBMUJFWSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000087591767 136211921 /nfs/dbraw/zinc/21/19/21/136211921.db2.gz PIAGCHWMXCSXAJ-CYBMUJFWSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000087591768 136211930 /nfs/dbraw/zinc/21/19/30/136211930.db2.gz PIAGCHWMXCSXAJ-ZDUSSCGKSA-N 1 0 230.355 3.586 20 30 BHEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000087591901 535899052 /nfs/dbraw/zinc/89/90/52/535899052.db2.gz BHHYKVHNIXVCEQ-AWEZNQCLSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000087591902 535803411 /nfs/dbraw/zinc/80/34/11/535803411.db2.gz BHHYKVHNIXVCEQ-CQSZACIVSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)C1CCCCC1 ZINC000087591922 355397272 /nfs/dbraw/zinc/39/72/72/355397272.db2.gz YHCYZOFMTFNCMM-AWEZNQCLSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)C1CCCCC1 ZINC000087591923 355397147 /nfs/dbraw/zinc/39/71/47/355397147.db2.gz YHCYZOFMTFNCMM-CQSZACIVSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)[N@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000087595036 384398154 /nfs/dbraw/zinc/39/81/54/384398154.db2.gz SLWNUKUDSVNYHE-UHFFFAOYSA-N 1 0 244.382 3.837 20 30 BHEDRO CC[N@H+](CCC(C)(C)C#N)C1CCCCC1 ZINC000087595077 383850520 /nfs/dbraw/zinc/85/05/20/383850520.db2.gz CTCVZVBPHPQOHV-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CCCC[NH+](CCCC)CCC(C)(C)C#N ZINC000087595130 256572605 /nfs/dbraw/zinc/57/26/05/256572605.db2.gz ZTDKEMGICOWTMI-UHFFFAOYSA-N 1 0 224.392 3.828 20 30 BHEDRO C[N@H+](CCC(C)(C)C#N)C1CCCCCC1 ZINC000087595191 383849860 /nfs/dbraw/zinc/84/98/60/383849860.db2.gz NRLZRIDUYKJMSV-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000087595196 256572754 /nfs/dbraw/zinc/57/27/54/256572754.db2.gz SPFQLPXQRMZHEK-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000087595200 383851356 /nfs/dbraw/zinc/85/13/56/383851356.db2.gz SPFQLPXQRMZHEK-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)C[NH+](CCC(C)(C)C#N)CC(C)C ZINC000087595214 383850514 /nfs/dbraw/zinc/85/05/14/383850514.db2.gz VBORJJGMUGMACM-UHFFFAOYSA-N 1 0 224.392 3.540 20 30 BHEDRO CC[N@H+](CCC(C)(C)C#N)Cc1cccs1 ZINC000087595283 383851441 /nfs/dbraw/zinc/85/14/41/383851441.db2.gz LFSFCNRGERXKRA-UHFFFAOYSA-N 1 0 236.384 3.510 20 30 BHEDRO CCC(CC)C[N@H+](CC)CCC(C)(C)C#N ZINC000087595285 383849916 /nfs/dbraw/zinc/84/99/16/383849916.db2.gz XYDREYPRGGYNRJ-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO CC(C)(C#N)CC[N@H+](Cc1cccs1)C1CC1 ZINC000087595314 534985639 /nfs/dbraw/zinc/98/56/39/534985639.db2.gz UXZWGAPSROWGAK-UHFFFAOYSA-N 1 0 248.395 3.652 20 30 BHEDRO CCC1CCC([N@H+](C)CCC(C)(C)C#N)CC1 ZINC000087595316 256572560 /nfs/dbraw/zinc/57/25/60/256572560.db2.gz UKRAYGDUWKBISI-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H](c1cccs1)[N@H+](C)CCC(C)(C)C#N ZINC000087595329 383851614 /nfs/dbraw/zinc/85/16/14/383851614.db2.gz ULYNAJPRRMZLRR-NSHDSACASA-N 1 0 236.384 3.681 20 30 BHEDRO C[C@H](c1cccs1)[N@H+](C)CCC(C)(C)C#N ZINC000087595331 383850097 /nfs/dbraw/zinc/85/00/97/383850097.db2.gz ULYNAJPRRMZLRR-LLVKDONJSA-N 1 0 236.384 3.681 20 30 BHEDRO CCCCC[N@H+](CCC(C)(C)C#N)C(C)C ZINC000087595386 383850194 /nfs/dbraw/zinc/85/01/94/383850194.db2.gz JGLVWPDDJFFYLY-UHFFFAOYSA-N 1 0 224.392 3.827 20 30 BHEDRO C[C@@H]1c2ccsc2CC[N@H+]1CCC(C)(C)C#N ZINC000087595452 383851846 /nfs/dbraw/zinc/85/18/46/383851846.db2.gz IWEPXKGTRUHWHX-LLVKDONJSA-N 1 0 248.395 3.607 20 30 BHEDRO C[C@H]1c2ccsc2CC[N@H+]1CCC(C)(C)C#N ZINC000087595453 383851944 /nfs/dbraw/zinc/85/19/44/383851944.db2.gz IWEPXKGTRUHWHX-NSHDSACASA-N 1 0 248.395 3.607 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000087595477 383849843 /nfs/dbraw/zinc/84/98/43/383849843.db2.gz OJGOSEYGUQPPCQ-CQSZACIVSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000087595479 383850667 /nfs/dbraw/zinc/85/06/67/383850667.db2.gz OJGOSEYGUQPPCQ-AWEZNQCLSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000087595514 256572669 /nfs/dbraw/zinc/57/26/69/256572669.db2.gz NZPFNHZJGIQNGQ-UHFFFAOYSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)(C#N)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000087595549 383851029 /nfs/dbraw/zinc/85/10/29/383851029.db2.gz CQOSTXUEEAOFKI-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C[C@@H](c1ccccc1F)[N@H+](C)CCC(C)(C)C#N ZINC000087595575 134426238 /nfs/dbraw/zinc/42/62/38/134426238.db2.gz JCBKXOKCTWLMBA-LBPRGKRZSA-N 1 0 248.345 3.758 20 30 BHEDRO C[C@H](c1ccccc1F)[N@H+](C)CCC(C)(C)C#N ZINC000087595577 383851336 /nfs/dbraw/zinc/85/13/36/383851336.db2.gz JCBKXOKCTWLMBA-GFCCVEGCSA-N 1 0 248.345 3.758 20 30 BHEDRO CCC1(CC)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000087595595 383849566 /nfs/dbraw/zinc/84/95/66/383849566.db2.gz NSUSMKUCSPAOLO-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CC(C)(C#N)CC[NH+]1CCC2(CCCC2)CC1 ZINC000087595596 359919832 /nfs/dbraw/zinc/91/98/32/359919832.db2.gz LBEFREQXZYRPKG-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000087595701 383851108 /nfs/dbraw/zinc/85/11/08/383851108.db2.gz YMAJRBMPTBUEIY-CQSZACIVSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)[C@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000087595703 383849932 /nfs/dbraw/zinc/84/99/32/383849932.db2.gz YMAJRBMPTBUEIY-AWEZNQCLSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1 ZINC000087596929 383853525 /nfs/dbraw/zinc/85/35/25/383853525.db2.gz ZAJRNGISLAWHQQ-ZDUSSCGKSA-N 1 0 230.355 3.667 20 30 BHEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1 ZINC000087596931 383853336 /nfs/dbraw/zinc/85/33/36/383853336.db2.gz ZAJRNGISLAWHQQ-CYBMUJFWSA-N 1 0 230.355 3.667 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1C ZINC000087597190 256572822 /nfs/dbraw/zinc/57/28/22/256572822.db2.gz JGNQGJZJPBVTDO-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1C ZINC000087597194 383854211 /nfs/dbraw/zinc/85/42/11/383854211.db2.gz JGNQGJZJPBVTDO-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000087597627 256527231 /nfs/dbraw/zinc/52/72/31/256527231.db2.gz LEVUOKJFUAYFEB-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000087597629 398040282 /nfs/dbraw/zinc/04/02/82/398040282.db2.gz LEVUOKJFUAYFEB-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000087597631 256527288 /nfs/dbraw/zinc/52/72/88/256527288.db2.gz LEVUOKJFUAYFEB-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000087597632 398040184 /nfs/dbraw/zinc/04/01/84/398040184.db2.gz LEVUOKJFUAYFEB-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+]CCCC(C)(C)C#N ZINC000087597739 134425632 /nfs/dbraw/zinc/42/56/32/134425632.db2.gz YZCPDDCGDRVNOY-CQSZACIVSA-N 1 0 244.382 3.976 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CCCC(C)(C)C#N)c(C)o1 ZINC000087597918 135159265 /nfs/dbraw/zinc/15/92/65/135159265.db2.gz IMQZDICPBNFUAE-GFCCVEGCSA-N 1 0 248.370 3.877 20 30 BHEDRO Cc1cc([C@H](C)[NH2+]CCCC(C)(C)C#N)c(C)o1 ZINC000087597920 135159208 /nfs/dbraw/zinc/15/92/08/135159208.db2.gz IMQZDICPBNFUAE-LBPRGKRZSA-N 1 0 248.370 3.877 20 30 BHEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)C1CCCCC1 ZINC000087598115 398041080 /nfs/dbraw/zinc/04/10/80/398041080.db2.gz UQJLPPVVHZBBHD-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)C1CCCCC1 ZINC000087598117 398041005 /nfs/dbraw/zinc/04/10/05/398041005.db2.gz UQJLPPVVHZBBHD-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@H](C)C1 ZINC000087598413 398040939 /nfs/dbraw/zinc/04/09/39/398040939.db2.gz GUMJZGGCKWBUII-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H](C)C1 ZINC000087598417 398041048 /nfs/dbraw/zinc/04/10/48/398041048.db2.gz GUMJZGGCKWBUII-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)C1CCCCC1 ZINC000087608427 383853980 /nfs/dbraw/zinc/85/39/80/383853980.db2.gz DTCBSPVNVJHCDD-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[N@H+](CCCC(C)(C)C#N)C1CCCCC1 ZINC000087608429 383854194 /nfs/dbraw/zinc/85/41/94/383854194.db2.gz DFTAHMJYKMLSBD-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000087608440 359919409 /nfs/dbraw/zinc/91/94/09/359919409.db2.gz PBRNZVUVYHMULH-BETUJISGSA-N 1 0 222.376 3.579 20 30 BHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCCC(C)(C)C#N ZINC000087608441 135509823 /nfs/dbraw/zinc/50/98/23/135509823.db2.gz PBRNZVUVYHMULH-STQMWFEESA-N 1 0 222.376 3.579 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCC(C)(C)C#N ZINC000087608442 359919733 /nfs/dbraw/zinc/91/97/33/359919733.db2.gz PBRNZVUVYHMULH-CHWSQXEVSA-N 1 0 222.376 3.579 20 30 BHEDRO CC(C)(C#N)CCC[NH+]1CCCCCCC1 ZINC000087608448 640941311 /nfs/dbraw/zinc/94/13/11/640941311.db2.gz WAUMVDRZOLVNHS-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cccc(F)c1 ZINC000087608449 383854123 /nfs/dbraw/zinc/85/41/23/383854123.db2.gz BLWUSFUDNYRDCJ-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO CC[N@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000087608455 384813396 /nfs/dbraw/zinc/81/33/96/384813396.db2.gz CUBAVYVYFNERLY-UHFFFAOYSA-N 1 0 244.382 3.838 20 30 BHEDRO CC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608458 383853953 /nfs/dbraw/zinc/85/39/53/383853953.db2.gz HILMSZACMLMWLD-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608459 383853269 /nfs/dbraw/zinc/85/32/69/383853269.db2.gz HILMSZACMLMWLD-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cccs1 ZINC000087608476 383853669 /nfs/dbraw/zinc/85/36/69/383853669.db2.gz MZUOAHKHOHEYFW-UHFFFAOYSA-N 1 0 236.384 3.510 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccsc1 ZINC000087608477 355403004 /nfs/dbraw/zinc/40/30/04/355403004.db2.gz QJDJMUMOYRJQLK-UHFFFAOYSA-N 1 0 236.384 3.510 20 30 BHEDRO CC[N@H+](CCCC(C)(C)C#N)C1CCCC1 ZINC000087608478 383853642 /nfs/dbraw/zinc/85/36/42/383853642.db2.gz ZSHYIJYUBMVJLC-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)C1CCCCCC1 ZINC000087608504 383854203 /nfs/dbraw/zinc/85/42/03/383854203.db2.gz AELIXPOSDZCFJS-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000087608507 383853409 /nfs/dbraw/zinc/85/34/09/383853409.db2.gz VGKQZKPUFAQMFL-CABCVRRESA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000087608508 383854075 /nfs/dbraw/zinc/85/40/75/383854075.db2.gz VGKQZKPUFAQMFL-GJZGRUSLSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)C[NH+](CCCC(C)(C)C#N)CC(C)C ZINC000087608519 383853765 /nfs/dbraw/zinc/85/37/65/383853765.db2.gz PNKGMOIEGXQLNP-UHFFFAOYSA-N 1 0 238.419 3.930 20 30 BHEDRO Cc1cccc(C[N@H+](C)CCCC(C)(C)C#N)c1 ZINC000087608520 383853966 /nfs/dbraw/zinc/85/39/66/383853966.db2.gz AQVBPKIMMVPACS-UHFFFAOYSA-N 1 0 244.382 3.757 20 30 BHEDRO Cc1ccccc1C[N@H+](C)CCCC(C)(C)C#N ZINC000087608521 383853501 /nfs/dbraw/zinc/85/35/01/383853501.db2.gz MRXOEFGWZADBBZ-UHFFFAOYSA-N 1 0 244.382 3.757 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccccc1F ZINC000087608522 383853288 /nfs/dbraw/zinc/85/32/88/383853288.db2.gz VJMTYAAVELZMEW-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000087608523 359920172 /nfs/dbraw/zinc/92/01/72/359920172.db2.gz OFOBRAINBUZNRW-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO CC1CCC([N@H+](C)CCCC(C)(C)C#N)CC1 ZINC000087608553 383853194 /nfs/dbraw/zinc/85/31/94/383853194.db2.gz JKYITKIAZRQSHW-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO CCCC[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000087608563 383854116 /nfs/dbraw/zinc/85/41/16/383854116.db2.gz CLZZIYLEUIBDFU-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)CC1CCCCC1 ZINC000087608564 384408150 /nfs/dbraw/zinc/40/81/50/384408150.db2.gz IIJQGAGRQQSYCQ-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C[C@@H]1CCC[C@H]([N@H+](C)CCCC(C)(C)C#N)C1 ZINC000087608565 384408331 /nfs/dbraw/zinc/40/83/31/384408331.db2.gz ANSUHDDKIZBYGJ-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CCC[C@H]([N@H+](C)CCCC(C)(C)C#N)C1 ZINC000087608566 384409604 /nfs/dbraw/zinc/40/96/04/384409604.db2.gz ANSUHDDKIZBYGJ-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCCC(C)(C)C#N)C1 ZINC000087608567 256527182 /nfs/dbraw/zinc/52/71/82/256527182.db2.gz ANSUHDDKIZBYGJ-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CCC[C@@H]([N@H+](C)CCCC(C)(C)C#N)C1 ZINC000087608568 256527773 /nfs/dbraw/zinc/52/77/73/256527773.db2.gz ANSUHDDKIZBYGJ-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)C[N@H+](CCCC(C)(C)C#N)C(C)C ZINC000087608619 383854454 /nfs/dbraw/zinc/85/44/54/383854454.db2.gz REJJMLNMOOLDQW-UHFFFAOYSA-N 1 0 224.392 3.683 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCC(C)(C)C#N ZINC000087608626 383853830 /nfs/dbraw/zinc/85/38/30/383853830.db2.gz AJDPELFNPHZSKA-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCC(C)(C)C#N ZINC000087608627 383854100 /nfs/dbraw/zinc/85/41/00/383854100.db2.gz AJDPELFNPHZSKA-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCC(C)(C)C#N ZINC000087608628 256572283 /nfs/dbraw/zinc/57/22/83/256572283.db2.gz AJDPELFNPHZSKA-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCCC(C)(C)C#N ZINC000087608629 383852706 /nfs/dbraw/zinc/85/27/06/383852706.db2.gz AJDPELFNPHZSKA-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]([N@H+](C)CCCC(C)(C)C#N)C(C)(C)C ZINC000087608639 355404055 /nfs/dbraw/zinc/40/40/55/355404055.db2.gz MHYMIIQHZMXGKI-LBPRGKRZSA-N 1 0 224.392 3.683 20 30 BHEDRO C[C@@H]([N@H+](C)CCCC(C)(C)C#N)C(C)(C)C ZINC000087608640 355404084 /nfs/dbraw/zinc/40/40/84/355404084.db2.gz MHYMIIQHZMXGKI-GFCCVEGCSA-N 1 0 224.392 3.683 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000087608658 359919510 /nfs/dbraw/zinc/91/95/10/359919510.db2.gz KNPZLGMDPHDXKA-OAHLLOKOSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000087608659 359919455 /nfs/dbraw/zinc/91/94/55/359919455.db2.gz KNPZLGMDPHDXKA-HNNXBMFYSA-N 1 0 248.414 3.971 20 30 BHEDRO CCC1(C)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000087608720 256572597 /nfs/dbraw/zinc/57/25/97/256572597.db2.gz XFTWUVCEEJYFGW-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CC(C)(C#N)CCC[NH+]1CCC2(CCCC2)CC1 ZINC000087608722 383853776 /nfs/dbraw/zinc/85/37/76/383853776.db2.gz BPMSNSSJLFALOJ-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C[C@@H]1CCCCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608776 383852684 /nfs/dbraw/zinc/85/26/84/383852684.db2.gz CMHLJISNTJVUDW-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@H]1CCCCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608777 383853793 /nfs/dbraw/zinc/85/37/93/383853793.db2.gz CMHLJISNTJVUDW-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000087608779 383854367 /nfs/dbraw/zinc/85/43/67/383854367.db2.gz SZDNGMHGMKLOLT-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[C@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000087608780 383854390 /nfs/dbraw/zinc/85/43/90/383854390.db2.gz SZDNGMHGMKLOLT-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCCC(C)(C)CC1 ZINC000087657785 383860043 /nfs/dbraw/zinc/86/00/43/383860043.db2.gz SKWWWWAAZHKYTH-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CC1(C)CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000087657790 355695497 /nfs/dbraw/zinc/69/54/97/355695497.db2.gz WTUBJMRNKJNJOB-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CC1(C)CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000087657807 355696916 /nfs/dbraw/zinc/69/69/16/355696916.db2.gz FXEJGIITVQGNEX-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CC1(C)CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000087657811 355696931 /nfs/dbraw/zinc/69/69/31/355696931.db2.gz PKFLKHMVFUPZCG-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000087770921 359926405 /nfs/dbraw/zinc/92/64/05/359926405.db2.gz QELAWQNTRCQUDH-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000087770923 534983167 /nfs/dbraw/zinc/98/31/67/534983167.db2.gz QELAWQNTRCQUDH-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000088162233 384233944 /nfs/dbraw/zinc/23/39/44/384233944.db2.gz BRIMFYPHRHGHQC-CYBMUJFWSA-N 1 0 203.329 3.612 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000088162287 384234418 /nfs/dbraw/zinc/23/44/18/384234418.db2.gz BRIMFYPHRHGHQC-ZDUSSCGKSA-N 1 0 203.329 3.612 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)C1CCCCCC1 ZINC000088169145 398293790 /nfs/dbraw/zinc/29/37/90/398293790.db2.gz SHSTWWYZQHDCLB-JSGCOSHPSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](C)C1CCCCCC1 ZINC000088169146 398293747 /nfs/dbraw/zinc/29/37/47/398293747.db2.gz SHSTWWYZQHDCLB-GXTWGEPZSA-N 1 0 222.376 3.627 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000088169167 641170161 /nfs/dbraw/zinc/17/01/61/641170161.db2.gz LJVGIVIYCUCNPH-NSHDSACASA-N 1 0 215.768 3.687 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)C1CCCCCC1 ZINC000088169188 351678870 /nfs/dbraw/zinc/67/88/70/351678870.db2.gz VCRNARGCXRYYGQ-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H](C)C1CCCCCC1 ZINC000088169240 398294085 /nfs/dbraw/zinc/29/40/85/398294085.db2.gz SHSTWWYZQHDCLB-OCCSQVGLSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](C)C1CCCCCC1 ZINC000088169241 384264184 /nfs/dbraw/zinc/26/41/84/384264184.db2.gz SHSTWWYZQHDCLB-TZMCWYRMSA-N 1 0 222.376 3.627 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)C1CCCCCC1 ZINC000088169262 641320365 /nfs/dbraw/zinc/32/03/65/641320365.db2.gz LJVGIVIYCUCNPH-LLVKDONJSA-N 1 0 215.768 3.687 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)C1CCCCCC1 ZINC000088169283 351678640 /nfs/dbraw/zinc/67/86/40/351678640.db2.gz VCRNARGCXRYYGQ-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCCC[N@H+](CC)C[C@@H](C)C#N ZINC000088204060 644512656 /nfs/dbraw/zinc/51/26/56/644512656.db2.gz COVKLNJXQUSGJD-AWEZNQCLSA-N 1 0 224.392 3.828 20 30 BHEDRO CCCCCCCC[N@H+](CC)C[C@H](C)C#N ZINC000088204061 644513350 /nfs/dbraw/zinc/51/33/50/644513350.db2.gz COVKLNJXQUSGJD-CQSZACIVSA-N 1 0 224.392 3.828 20 30 BHEDRO CCCCCCCC[N@H+](CC)CCC#N ZINC000088239367 644514970 /nfs/dbraw/zinc/51/49/70/644514970.db2.gz FSMCYCAKLPGJJP-UHFFFAOYSA-N 1 0 210.365 3.582 20 30 BHEDRO CCCCCCCCC[N@H+](C)C[C@@H](C)C#N ZINC000088239549 644515184 /nfs/dbraw/zinc/51/51/84/644515184.db2.gz ZUDCMSILRHXNNZ-AWEZNQCLSA-N 1 0 224.392 3.828 20 30 BHEDRO CCCCCCCCC[N@H+](C)C[C@H](C)C#N ZINC000088239551 644514434 /nfs/dbraw/zinc/51/44/34/644514434.db2.gz ZUDCMSILRHXNNZ-CQSZACIVSA-N 1 0 224.392 3.828 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000088249671 359942658 /nfs/dbraw/zinc/94/26/58/359942658.db2.gz ASZHBFDBPIOYSO-CYBMUJFWSA-N 1 0 242.366 3.593 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000088249672 359942858 /nfs/dbraw/zinc/94/28/58/359942858.db2.gz ASZHBFDBPIOYSO-ZDUSSCGKSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(Cl)c1 ZINC000088249685 359942414 /nfs/dbraw/zinc/94/24/14/359942414.db2.gz FONIXVUWOLOWAR-NSHDSACASA-N 1 0 248.757 3.684 20 30 BHEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(Cl)c1 ZINC000088249686 359942666 /nfs/dbraw/zinc/94/26/66/359942666.db2.gz FONIXVUWOLOWAR-LLVKDONJSA-N 1 0 248.757 3.684 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)c(C)s1 ZINC000088249750 359942093 /nfs/dbraw/zinc/94/20/93/359942093.db2.gz JRPIZPJOQIYUAZ-LLVKDONJSA-N 1 0 248.395 3.709 20 30 BHEDRO Cc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)c(C)s1 ZINC000088249751 359942543 /nfs/dbraw/zinc/94/25/43/359942543.db2.gz JRPIZPJOQIYUAZ-NSHDSACASA-N 1 0 248.395 3.709 20 30 BHEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1Cl ZINC000088249754 359942866 /nfs/dbraw/zinc/94/28/66/359942866.db2.gz WMXYUDQGJAHGTB-NSHDSACASA-N 1 0 248.757 3.684 20 30 BHEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1Cl ZINC000088249755 359942554 /nfs/dbraw/zinc/94/25/54/359942554.db2.gz WMXYUDQGJAHGTB-LLVKDONJSA-N 1 0 248.757 3.684 20 30 BHEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000088249756 359942934 /nfs/dbraw/zinc/94/29/34/359942934.db2.gz XUFQFYNSXALXJM-NSHDSACASA-N 1 0 248.757 3.684 20 30 BHEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000088249757 359942803 /nfs/dbraw/zinc/94/28/03/359942803.db2.gz XUFQFYNSXALXJM-LLVKDONJSA-N 1 0 248.757 3.684 20 30 BHEDRO CCCC1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000088249772 359942210 /nfs/dbraw/zinc/94/22/10/359942210.db2.gz RBPINKYFUYNLBR-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)c1ccc(C[NH2+]CC2(CC#N)CC2)cc1 ZINC000088249836 359942882 /nfs/dbraw/zinc/94/28/82/359942882.db2.gz GJGDCCBOKWUPBP-UHFFFAOYSA-N 1 0 242.366 3.593 20 30 BHEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)C1CCCCC1 ZINC000088249873 535897027 /nfs/dbraw/zinc/89/70/27/535897027.db2.gz HTRSBOGIPFISLI-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)C1CCCCC1 ZINC000088249875 535803040 /nfs/dbraw/zinc/80/30/40/535803040.db2.gz HTRSBOGIPFISLI-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)[N@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000088259223 356646213 /nfs/dbraw/zinc/64/62/13/356646213.db2.gz LFGHEEWSNVEIBH-UHFFFAOYSA-N 1 0 242.366 3.591 20 30 BHEDRO CC(C)[N@H+](Cc1cccs1)CC1(CC#N)CC1 ZINC000088259369 356647605 /nfs/dbraw/zinc/64/76/05/356647605.db2.gz RYYXAYVBNHRAEY-UHFFFAOYSA-N 1 0 248.395 3.652 20 30 BHEDRO C[C@@H](c1ccccc1F)[N@H+](C)CC1(CC#N)CC1 ZINC000088259498 356645128 /nfs/dbraw/zinc/64/51/28/356645128.db2.gz MXSXPEOVDQFCRC-LBPRGKRZSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H](c1ccccc1F)[N@H+](C)CC1(CC#N)CC1 ZINC000088259499 356645049 /nfs/dbraw/zinc/64/50/49/356645049.db2.gz MXSXPEOVDQFCRC-GFCCVEGCSA-N 1 0 246.329 3.512 20 30 BHEDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000088297371 387012007 /nfs/dbraw/zinc/01/20/07/387012007.db2.gz PEKRPIRNPCFRLK-VXGBXAGGSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000088297372 387012625 /nfs/dbraw/zinc/01/26/25/387012625.db2.gz PEKRPIRNPCFRLK-NWDGAFQWSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000088297373 387011607 /nfs/dbraw/zinc/01/16/07/387011607.db2.gz PEKRPIRNPCFRLK-NEPJUHHUSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000088297374 322999328 /nfs/dbraw/zinc/99/93/28/322999328.db2.gz PEKRPIRNPCFRLK-RYUDHWBXSA-N 1 0 248.345 3.612 20 30 BHEDRO CCCCCCCCCC[NH+]1CCC(O)CC1 ZINC000088379351 644519354 /nfs/dbraw/zinc/51/93/54/644519354.db2.gz BOCJHWYSTAKDBS-UHFFFAOYSA-N 1 0 241.419 3.584 20 30 BHEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000088505769 356727118 /nfs/dbraw/zinc/72/71/18/356727118.db2.gz TWZCGNRBIBRQCU-CJNGLKHVSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000088505773 356727428 /nfs/dbraw/zinc/72/74/28/356727428.db2.gz TWZCGNRBIBRQCU-BBRMVZONSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000088505774 356727335 /nfs/dbraw/zinc/72/73/35/356727335.db2.gz TWZCGNRBIBRQCU-CZUORRHYSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000088505775 356727384 /nfs/dbraw/zinc/72/73/84/356727384.db2.gz TWZCGNRBIBRQCU-XJKSGUPXSA-N 1 0 242.366 3.617 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000089118566 388736239 /nfs/dbraw/zinc/73/62/39/388736239.db2.gz RIMHEZRFXBUQBJ-INIZCTEOSA-N 1 0 241.309 3.691 20 30 BHEDRO C=CC[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000089118568 388736480 /nfs/dbraw/zinc/73/64/80/388736480.db2.gz RIMHEZRFXBUQBJ-MRXNPFEDSA-N 1 0 241.309 3.691 20 30 BHEDRO N#Cc1ccc(C[NH2+]CC2CCCCCC2)cc1 ZINC000089559689 256577704 /nfs/dbraw/zinc/57/77/04/256577704.db2.gz KNUKOMNXJOJARU-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO N#Cc1cccc(C[NH2+]CC2CCCCCC2)c1 ZINC000089559691 259322864 /nfs/dbraw/zinc/32/28/64/259322864.db2.gz DQYLXQKJFIVJHT-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccccc1OCC ZINC000090397264 644590050 /nfs/dbraw/zinc/59/00/50/644590050.db2.gz MRODBZYWZZTVIE-CQSZACIVSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccccc1OCC ZINC000090397265 644590333 /nfs/dbraw/zinc/59/03/33/644590333.db2.gz MRODBZYWZZTVIE-AWEZNQCLSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000090397346 353387808 /nfs/dbraw/zinc/38/78/08/353387808.db2.gz HQPUQJSHPHOHKY-CQSZACIVSA-N 1 0 245.391 3.617 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000090397360 353387801 /nfs/dbraw/zinc/38/78/01/353387801.db2.gz HQPUQJSHPHOHKY-AWEZNQCLSA-N 1 0 245.391 3.617 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1cccs1 ZINC000090397364 643409294 /nfs/dbraw/zinc/40/92/94/643409294.db2.gz LJIMJGZVPMUURZ-LBPRGKRZSA-N 1 0 221.369 3.592 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1cccs1 ZINC000090397367 643409644 /nfs/dbraw/zinc/40/96/44/643409644.db2.gz LJIMJGZVPMUURZ-GFCCVEGCSA-N 1 0 221.369 3.592 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000090397395 643409788 /nfs/dbraw/zinc/40/97/88/643409788.db2.gz QUIKIGAJHUPLNG-GFCCVEGCSA-N 1 0 235.396 3.819 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000090397396 643410292 /nfs/dbraw/zinc/41/02/92/643410292.db2.gz QUIKIGAJHUPLNG-LBPRGKRZSA-N 1 0 235.396 3.819 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000090397399 643408987 /nfs/dbraw/zinc/40/89/87/643408987.db2.gz CLLCQLJLMJRRAH-AWEZNQCLSA-N 1 0 247.357 3.540 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000090397400 643410089 /nfs/dbraw/zinc/41/00/89/643410089.db2.gz CLLCQLJLMJRRAH-CQSZACIVSA-N 1 0 247.357 3.540 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000090397762 644589771 /nfs/dbraw/zinc/58/97/71/644589771.db2.gz GZAZEHHSZBHQJJ-INIZCTEOSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000090397769 644590302 /nfs/dbraw/zinc/59/03/02/644590302.db2.gz GZAZEHHSZBHQJJ-MRXNPFEDSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000090397778 636040229 /nfs/dbraw/zinc/04/02/29/636040229.db2.gz ITELOUJWONFBGC-CYBMUJFWSA-N 1 0 233.380 3.519 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCc2sccc21 ZINC000090397782 636040328 /nfs/dbraw/zinc/04/03/28/636040328.db2.gz ITELOUJWONFBGC-ZDUSSCGKSA-N 1 0 233.380 3.519 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000090397799 636040444 /nfs/dbraw/zinc/04/04/44/636040444.db2.gz QZRPDGNGDDNJHG-OAHLLOKOSA-N 1 0 247.769 3.720 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000090397807 636040309 /nfs/dbraw/zinc/04/03/09/636040309.db2.gz QZRPDGNGDDNJHG-HNNXBMFYSA-N 1 0 247.769 3.720 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000090397927 641481605 /nfs/dbraw/zinc/48/16/05/641481605.db2.gz UINSWNIVHKTMFC-HNNXBMFYSA-N 1 0 243.394 3.746 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000090397928 643409531 /nfs/dbraw/zinc/40/95/31/643409531.db2.gz UINSWNIVHKTMFC-OAHLLOKOSA-N 1 0 243.394 3.746 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000090398144 644589825 /nfs/dbraw/zinc/58/98/25/644589825.db2.gz UAFPCGGXBBWRSA-AWEZNQCLSA-N 1 0 247.357 3.540 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCc1ccccc1F ZINC000090398145 644590279 /nfs/dbraw/zinc/59/02/79/644590279.db2.gz UAFPCGGXBBWRSA-CQSZACIVSA-N 1 0 247.357 3.540 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000090398337 644589802 /nfs/dbraw/zinc/58/98/02/644589802.db2.gz YCPLSUXLYBISRU-CQSZACIVSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000090398338 644590321 /nfs/dbraw/zinc/59/03/21/644590321.db2.gz YCPLSUXLYBISRU-AWEZNQCLSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000090398358 636918153 /nfs/dbraw/zinc/91/81/53/636918153.db2.gz UYPGWGQMGUDZRI-ZDUSSCGKSA-N 1 0 247.407 3.863 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000090398359 636916650 /nfs/dbraw/zinc/91/66/50/636916650.db2.gz UYPGWGQMGUDZRI-CYBMUJFWSA-N 1 0 247.407 3.863 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000090398424 644590304 /nfs/dbraw/zinc/59/03/04/644590304.db2.gz MOAMTXOZTKOWBF-AWEZNQCLSA-N 1 0 247.357 3.540 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000090398425 644589748 /nfs/dbraw/zinc/58/97/48/644589748.db2.gz MOAMTXOZTKOWBF-CQSZACIVSA-N 1 0 247.357 3.540 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000090398636 133663817 /nfs/dbraw/zinc/66/38/17/133663817.db2.gz NHXGKURVMRQDGU-GFCCVEGCSA-N 1 0 221.369 3.511 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000090398638 343931015 /nfs/dbraw/zinc/93/10/15/343931015.db2.gz NHXGKURVMRQDGU-LBPRGKRZSA-N 1 0 221.369 3.511 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000090398641 644590158 /nfs/dbraw/zinc/59/01/58/644590158.db2.gz KCSFXHKNNXUNNA-ZDUSSCGKSA-N 1 0 241.334 3.887 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000090398649 644590239 /nfs/dbraw/zinc/59/02/39/644590239.db2.gz KCSFXHKNNXUNNA-CYBMUJFWSA-N 1 0 241.334 3.887 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000090398733 353387779 /nfs/dbraw/zinc/38/77/79/353387779.db2.gz CDNSGPNSOZVRKY-INIZCTEOSA-N 1 0 244.382 3.562 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000090398738 136227415 /nfs/dbraw/zinc/22/74/15/136227415.db2.gz CDNSGPNSOZVRKY-MRXNPFEDSA-N 1 0 244.382 3.562 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(CC)s1 ZINC000090398819 644590330 /nfs/dbraw/zinc/59/03/30/644590330.db2.gz RPSGDYWETQSJGG-GFCCVEGCSA-N 1 0 235.396 3.765 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000090398820 636040258 /nfs/dbraw/zinc/04/02/58/636040258.db2.gz RPSGDYWETQSJGG-LBPRGKRZSA-N 1 0 235.396 3.765 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000090398967 644590233 /nfs/dbraw/zinc/59/02/33/644590233.db2.gz FXXZNOLMILLFEA-CQSZACIVSA-N 1 0 245.366 3.686 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000090398968 644590144 /nfs/dbraw/zinc/59/01/44/644590144.db2.gz FXXZNOLMILLFEA-AWEZNQCLSA-N 1 0 245.366 3.686 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1sccc1C ZINC000090399052 343931054 /nfs/dbraw/zinc/93/10/54/343931054.db2.gz CTUDLHBLISWILU-GFCCVEGCSA-N 1 0 221.369 3.511 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1sccc1C ZINC000090399053 533034213 /nfs/dbraw/zinc/03/42/13/533034213.db2.gz CTUDLHBLISWILU-LBPRGKRZSA-N 1 0 221.369 3.511 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000090399129 644590155 /nfs/dbraw/zinc/59/01/55/644590155.db2.gz ZDWXVBJLONQFPD-HUUCEWRRSA-N 1 0 229.367 3.572 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000090399130 643413354 /nfs/dbraw/zinc/41/33/54/643413354.db2.gz ZDWXVBJLONQFPD-LSDHHAIUSA-N 1 0 229.367 3.572 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000090399132 643412274 /nfs/dbraw/zinc/41/22/74/643412274.db2.gz ZDWXVBJLONQFPD-CABCVRRESA-N 1 0 229.367 3.572 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000090399133 643413127 /nfs/dbraw/zinc/41/31/27/643413127.db2.gz ZDWXVBJLONQFPD-GJZGRUSLSA-N 1 0 229.367 3.572 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000090450705 384821317 /nfs/dbraw/zinc/82/13/17/384821317.db2.gz XZZLXDGPVXKGFO-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000090450706 384821919 /nfs/dbraw/zinc/82/19/19/384821919.db2.gz XZZLXDGPVXKGFO-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000090451129 384821717 /nfs/dbraw/zinc/82/17/17/384821717.db2.gz XLQMEGAJHDVFGM-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000090451130 384823183 /nfs/dbraw/zinc/82/31/83/384823183.db2.gz XLQMEGAJHDVFGM-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000090451450 388747504 /nfs/dbraw/zinc/74/75/04/388747504.db2.gz MYINABPVPHZKPU-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000090451451 325676823 /nfs/dbraw/zinc/67/68/23/325676823.db2.gz MYINABPVPHZKPU-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCF)c1ccccc1 ZINC000090522234 384889154 /nfs/dbraw/zinc/88/91/54/384889154.db2.gz AKMZBMHIXDOKJQ-AWEZNQCLSA-N 1 0 221.319 3.643 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCF)c1ccccc1 ZINC000090522236 384890029 /nfs/dbraw/zinc/89/00/29/384890029.db2.gz AKMZBMHIXDOKJQ-CQSZACIVSA-N 1 0 221.319 3.643 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H](C)CCOC)c1ccccc1 ZINC000090580592 360078893 /nfs/dbraw/zinc/07/88/93/360078893.db2.gz HJRGXUNIBDTEGF-HOCLYGCPSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H](C)CCOC)c1ccccc1 ZINC000090580594 360078540 /nfs/dbraw/zinc/07/85/40/360078540.db2.gz HJRGXUNIBDTEGF-ZBFHGGJFSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H](C)CCOC)c1ccccc1 ZINC000090580595 135551065 /nfs/dbraw/zinc/55/10/65/135551065.db2.gz HJRGXUNIBDTEGF-GOEBONIOSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H](C)CCOC)c1ccccc1 ZINC000090580597 360079080 /nfs/dbraw/zinc/07/90/80/360079080.db2.gz HJRGXUNIBDTEGF-GDBMZVCRSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H](CC)COC)c1ccccc1 ZINC000090580838 360078843 /nfs/dbraw/zinc/07/88/43/360078843.db2.gz KOSHUYIXHZPRJZ-HOTGVXAUSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H](CC)COC)c1ccccc1 ZINC000090580840 360078771 /nfs/dbraw/zinc/07/87/71/360078771.db2.gz KOSHUYIXHZPRJZ-CVEARBPZSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H](CC)COC)c1ccccc1 ZINC000090580841 360079023 /nfs/dbraw/zinc/07/90/23/360079023.db2.gz KOSHUYIXHZPRJZ-JKSUJKDBSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H](CC)COC)c1ccccc1 ZINC000090580843 360078881 /nfs/dbraw/zinc/07/88/81/360078881.db2.gz KOSHUYIXHZPRJZ-HZPDHXFCSA-N 1 0 247.382 3.709 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090664907 384068137 /nfs/dbraw/zinc/06/81/37/384068137.db2.gz PJDVRFBDQLZLFZ-HIFRSBDPSA-N 1 0 230.355 3.810 20 30 BHEDRO CCC[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090664908 384068321 /nfs/dbraw/zinc/06/83/21/384068321.db2.gz PJDVRFBDQLZLFZ-ZFWWWQNUSA-N 1 0 230.355 3.810 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090664909 384068358 /nfs/dbraw/zinc/06/83/58/384068358.db2.gz PJDVRFBDQLZLFZ-UKRRQHHQSA-N 1 0 230.355 3.810 20 30 BHEDRO CCC[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090664910 384068056 /nfs/dbraw/zinc/06/80/56/384068056.db2.gz PJDVRFBDQLZLFZ-DZGCQCFKSA-N 1 0 230.355 3.810 20 30 BHEDRO N#CCC[C@@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000090665025 384067429 /nfs/dbraw/zinc/06/74/29/384067429.db2.gz WORXXANRPRNMJL-MRXNPFEDSA-N 1 0 242.366 3.954 20 30 BHEDRO N#CCC[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000090665026 384068781 /nfs/dbraw/zinc/06/87/81/384068781.db2.gz WORXXANRPRNMJL-INIZCTEOSA-N 1 0 242.366 3.954 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000090665413 325678933 /nfs/dbraw/zinc/67/89/33/325678933.db2.gz WBYPPNOBQWOHCW-KBMXLJTQSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000090665415 388750107 /nfs/dbraw/zinc/75/01/07/388750107.db2.gz WBYPPNOBQWOHCW-BMFZPTHFSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665577 344272536 /nfs/dbraw/zinc/27/25/36/344272536.db2.gz OLDCQUSTAXRXHC-KBMXLJTQSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]1CCC[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665579 344272442 /nfs/dbraw/zinc/27/24/42/344272442.db2.gz OLDCQUSTAXRXHC-BMFZPTHFSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1CCC1 ZINC000090665757 384068832 /nfs/dbraw/zinc/06/88/32/384068832.db2.gz WTBRHROGAPSVGP-BBRMVZONSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1CCC1 ZINC000090665758 384067817 /nfs/dbraw/zinc/06/78/17/384067817.db2.gz WTBRHROGAPSVGP-CJNGLKHVSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)C1CCC1 ZINC000090665759 384067857 /nfs/dbraw/zinc/06/78/57/384067857.db2.gz WTBRHROGAPSVGP-XJKSGUPXSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)C1CCC1 ZINC000090665760 384067561 /nfs/dbraw/zinc/06/75/61/384067561.db2.gz WTBRHROGAPSVGP-CZUORRHYSA-N 1 0 242.366 3.810 20 30 BHEDRO N#CCC[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000090665847 384067953 /nfs/dbraw/zinc/06/79/53/384067953.db2.gz COTWUGSBZYWTFK-OAHLLOKOSA-N 1 0 228.339 3.564 20 30 BHEDRO N#CCC[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000090665848 384068090 /nfs/dbraw/zinc/06/80/90/384068090.db2.gz COTWUGSBZYWTFK-HNNXBMFYSA-N 1 0 228.339 3.564 20 30 BHEDRO CCC(CC)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665857 384068175 /nfs/dbraw/zinc/06/81/75/384068175.db2.gz OIEDEVGLPFVXJX-HNNXBMFYSA-N 1 0 230.355 3.810 20 30 BHEDRO CCC(CC)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665858 384068048 /nfs/dbraw/zinc/06/80/48/384068048.db2.gz OIEDEVGLPFVXJX-OAHLLOKOSA-N 1 0 230.355 3.810 20 30 BHEDRO CC(C)[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665871 384068031 /nfs/dbraw/zinc/06/80/31/384068031.db2.gz WCFFNCAQQMUDHE-HIFRSBDPSA-N 1 0 230.355 3.666 20 30 BHEDRO CC(C)[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665872 384068418 /nfs/dbraw/zinc/06/84/18/384068418.db2.gz WCFFNCAQQMUDHE-ZFWWWQNUSA-N 1 0 230.355 3.666 20 30 BHEDRO CC(C)[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665873 384067521 /nfs/dbraw/zinc/06/75/21/384067521.db2.gz WCFFNCAQQMUDHE-UKRRQHHQSA-N 1 0 230.355 3.666 20 30 BHEDRO CC(C)[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665874 534973168 /nfs/dbraw/zinc/97/31/68/534973168.db2.gz WCFFNCAQQMUDHE-DZGCQCFKSA-N 1 0 230.355 3.666 20 30 BHEDRO C[C@@H](CC1CC1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090666043 384067347 /nfs/dbraw/zinc/06/73/47/384067347.db2.gz MLMUNOIVFGSMAA-BBRMVZONSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H](CC1CC1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090666044 384068161 /nfs/dbraw/zinc/06/81/61/384068161.db2.gz MLMUNOIVFGSMAA-CJNGLKHVSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H](CC1CC1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090666045 384067374 /nfs/dbraw/zinc/06/73/74/384067374.db2.gz MLMUNOIVFGSMAA-XJKSGUPXSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H](CC1CC1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090666046 384068279 /nfs/dbraw/zinc/06/82/79/384068279.db2.gz MLMUNOIVFGSMAA-CZUORRHYSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C2CC2)CC1)C1CC1 ZINC000090772818 256571685 /nfs/dbraw/zinc/57/16/85/256571685.db2.gz CJCXVAPCOFKJTE-AWEZNQCLSA-N 1 0 219.372 3.511 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(C2CC2)CC1)C1CC1 ZINC000090772819 256571884 /nfs/dbraw/zinc/57/18/84/256571884.db2.gz CJCXVAPCOFKJTE-CQSZACIVSA-N 1 0 219.372 3.511 20 30 BHEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000090883432 383908450 /nfs/dbraw/zinc/90/84/50/383908450.db2.gz WVQUTQMDYQXNKE-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000090883433 322964361 /nfs/dbraw/zinc/96/43/61/322964361.db2.gz WVQUTQMDYQXNKE-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCCOCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000090883448 322964391 /nfs/dbraw/zinc/96/43/91/322964391.db2.gz JTDCUUKOLXJEKZ-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000090883449 322964353 /nfs/dbraw/zinc/96/43/53/322964353.db2.gz JTDCUUKOLXJEKZ-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000090883767 322964351 /nfs/dbraw/zinc/96/43/51/322964351.db2.gz VKWQPQUVPCUXGQ-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000090883768 383908505 /nfs/dbraw/zinc/90/85/05/383908505.db2.gz VKWQPQUVPCUXGQ-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000090883856 322964345 /nfs/dbraw/zinc/96/43/45/322964345.db2.gz UHKHTZAGJKAMRP-INIZCTEOSA-N 1 0 247.382 3.628 20 30 BHEDRO C=CCCOCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000090883857 383909507 /nfs/dbraw/zinc/90/95/07/383909507.db2.gz UHKHTZAGJKAMRP-MRXNPFEDSA-N 1 0 247.382 3.628 20 30 BHEDRO C=CCCOCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000090884065 325681195 /nfs/dbraw/zinc/68/11/95/325681195.db2.gz YJSSSBLBQOHJOP-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000090884066 388752888 /nfs/dbraw/zinc/75/28/88/388752888.db2.gz YJSSSBLBQOHJOP-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO Cc1ccccc1[C@H]([NH2+]CCCCC#N)C(C)C ZINC000091319629 134432365 /nfs/dbraw/zinc/43/23/65/134432365.db2.gz WGNBGBWJQGUSEH-MRXNPFEDSA-N 1 0 244.382 3.976 20 30 BHEDRO Cc1ccccc1[C@@H]([NH2+]CCCCC#N)C(C)C ZINC000091319631 384118673 /nfs/dbraw/zinc/11/86/73/384118673.db2.gz WGNBGBWJQGUSEH-INIZCTEOSA-N 1 0 244.382 3.976 20 30 BHEDRO Cc1ccccc1[C@H]([NH2+]CCCCC#N)C1CC1 ZINC000091319679 384117938 /nfs/dbraw/zinc/11/79/38/384117938.db2.gz KNGPFHXXAZHZKD-MRXNPFEDSA-N 1 0 242.366 3.730 20 30 BHEDRO Cc1ccccc1[C@@H]([NH2+]CCCCC#N)C1CC1 ZINC000091319682 384118314 /nfs/dbraw/zinc/11/83/14/384118314.db2.gz KNGPFHXXAZHZKD-INIZCTEOSA-N 1 0 242.366 3.730 20 30 BHEDRO C#CCCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091377859 711595516 /nfs/dbraw/zinc/59/55/16/711595516.db2.gz LBUYQQSHTXDAIH-INIZCTEOSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091377860 711595466 /nfs/dbraw/zinc/59/54/66/711595466.db2.gz LBUYQQSHTXDAIH-MRXNPFEDSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000091377865 711595401 /nfs/dbraw/zinc/59/54/01/711595401.db2.gz SQLHOQMQNQWKDN-ZDUSSCGKSA-N 1 0 249.785 3.664 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000091377866 711595365 /nfs/dbraw/zinc/59/53/65/711595365.db2.gz SQLHOQMQNQWKDN-CYBMUJFWSA-N 1 0 249.785 3.664 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000091397694 383970645 /nfs/dbraw/zinc/97/06/45/383970645.db2.gz QWPWHSHRCMNVOA-INIZCTEOSA-N 1 0 247.382 3.566 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091397695 383968973 /nfs/dbraw/zinc/96/89/73/383968973.db2.gz QWPWHSHRCMNVOA-MRXNPFEDSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCCOCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000091406725 383966104 /nfs/dbraw/zinc/96/61/04/383966104.db2.gz NQXWXHXKHGGODS-INIZCTEOSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091406727 383967391 /nfs/dbraw/zinc/96/73/91/383967391.db2.gz NQXWXHXKHGGODS-MRXNPFEDSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000091506930 345595589 /nfs/dbraw/zinc/59/55/89/345595589.db2.gz YNAUKVQHZCYKGA-AWEZNQCLSA-N 1 0 242.366 3.735 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000091506932 345595652 /nfs/dbraw/zinc/59/56/52/345595652.db2.gz YNAUKVQHZCYKGA-CQSZACIVSA-N 1 0 242.366 3.735 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1csc(C)n1 ZINC000091509722 345596435 /nfs/dbraw/zinc/59/64/35/345596435.db2.gz JRCCUUKOWIEFFJ-NSHDSACASA-N 1 0 238.400 3.628 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1csc(C)n1 ZINC000091509724 345596480 /nfs/dbraw/zinc/59/64/80/345596480.db2.gz JRCCUUKOWIEFFJ-LLVKDONJSA-N 1 0 238.400 3.628 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](CC)Cc1ccccn1 ZINC000091513526 345596543 /nfs/dbraw/zinc/59/65/43/345596543.db2.gz KQRVTMOCJBIRIJ-AWEZNQCLSA-N 1 0 232.371 3.648 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](CC)Cc1ccccn1 ZINC000091513527 345596723 /nfs/dbraw/zinc/59/67/23/345596723.db2.gz KQRVTMOCJBIRIJ-CQSZACIVSA-N 1 0 232.371 3.648 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000091517290 345596681 /nfs/dbraw/zinc/59/66/81/345596681.db2.gz KTDRURQYHIHOGX-AWEZNQCLSA-N 1 0 242.366 3.735 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000091517292 345596656 /nfs/dbraw/zinc/59/66/56/345596656.db2.gz KTDRURQYHIHOGX-CQSZACIVSA-N 1 0 242.366 3.735 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000091553645 345597700 /nfs/dbraw/zinc/59/77/00/345597700.db2.gz KXCGQRVLSVIOBF-JTQLQIEISA-N 1 0 223.282 3.615 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000091553646 345598549 /nfs/dbraw/zinc/59/85/49/345598549.db2.gz KXCGQRVLSVIOBF-SNVBAGLBSA-N 1 0 223.282 3.615 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000091736065 345604025 /nfs/dbraw/zinc/60/40/25/345604025.db2.gz IDBZIQACYBYSJU-JSGCOSHPSA-N 1 0 233.355 3.619 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000091736067 345604214 /nfs/dbraw/zinc/60/42/14/345604214.db2.gz IDBZIQACYBYSJU-GXTWGEPZSA-N 1 0 233.355 3.619 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000091736071 345604280 /nfs/dbraw/zinc/60/42/80/345604280.db2.gz IDBZIQACYBYSJU-OCCSQVGLSA-N 1 0 233.355 3.619 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000091736073 345604160 /nfs/dbraw/zinc/60/41/60/345604160.db2.gz IDBZIQACYBYSJU-TZMCWYRMSA-N 1 0 233.355 3.619 20 30 BHEDRO C[C@@H]1C[C@H](C)CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000091893516 360135410 /nfs/dbraw/zinc/13/54/10/360135410.db2.gz PJEVEOSXHHBWKP-ZIAGYGMSSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@H](C)C1 ZINC000091893518 360135150 /nfs/dbraw/zinc/13/51/50/360135150.db2.gz PJEVEOSXHHBWKP-UONOGXRCSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000092401833 360169437 /nfs/dbraw/zinc/16/94/37/360169437.db2.gz PNTKDOSAPDUVIO-OAHLLOKOSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000092401835 360169426 /nfs/dbraw/zinc/16/94/26/360169426.db2.gz PNTKDOSAPDUVIO-HNNXBMFYSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000092485945 387213348 /nfs/dbraw/zinc/21/33/48/387213348.db2.gz IKWKXUALECGGAK-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000092485946 387212997 /nfs/dbraw/zinc/21/29/97/387212997.db2.gz IKWKXUALECGGAK-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000092644208 371107986 /nfs/dbraw/zinc/10/79/86/371107986.db2.gz RJGBNZNMJNLATB-LBPRGKRZSA-N 1 0 246.354 3.552 20 30 BHEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000092644209 371108447 /nfs/dbraw/zinc/10/84/47/371108447.db2.gz RJGBNZNMJNLATB-GFCCVEGCSA-N 1 0 246.354 3.552 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000092709824 345451984 /nfs/dbraw/zinc/45/19/84/345451984.db2.gz ZFSFBVBCGLVVTQ-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO C[N@H+](Cc1ccc(C#N)o1)C1CCCCCCC1 ZINC000092737033 644667206 /nfs/dbraw/zinc/66/72/06/644667206.db2.gz HTZCVUBIRPIHLV-UHFFFAOYSA-N 1 0 246.354 3.696 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000092781365 360196600 /nfs/dbraw/zinc/19/66/00/360196600.db2.gz UULWQHABBRXWKU-CQSZACIVSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000092781368 534995518 /nfs/dbraw/zinc/99/55/18/534995518.db2.gz UULWQHABBRXWKU-AWEZNQCLSA-N 1 0 234.387 3.581 20 30 BHEDRO C[N@H+](CCC1CCCCC1)Cc1ccc(C#N)o1 ZINC000092784464 259351119 /nfs/dbraw/zinc/35/11/19/259351119.db2.gz CGNXOHYITLGJSC-UHFFFAOYSA-N 1 0 246.354 3.553 20 30 BHEDRO CCCC1CCC(C[NH2+]CCCCC#N)CC1 ZINC000093067069 360213958 /nfs/dbraw/zinc/21/39/58/360213958.db2.gz YQOOHJMCFIREHO-UHFFFAOYSA-N 1 0 236.403 3.876 20 30 BHEDRO CC(C)(CCC#N)C[NH+]1CCC2(CCCC2)CC1 ZINC000093085457 360216053 /nfs/dbraw/zinc/21/60/53/360216053.db2.gz MRXZSYRMEYPADW-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO CC(C)CC[N@H+](CCC#N)CC(C)(C)CCC#N ZINC000093100964 360218537 /nfs/dbraw/zinc/21/85/37/360218537.db2.gz NWNDNIRBAGIVDC-UHFFFAOYSA-N 1 0 249.402 3.578 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)C1CCCC1 ZINC000093101058 388826522 /nfs/dbraw/zinc/82/65/22/388826522.db2.gz VAWNHIRIYJHOPH-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC=CCC1 ZINC000093101111 360218031 /nfs/dbraw/zinc/21/80/31/360218031.db2.gz WISHGTVJMGIHQV-AWEZNQCLSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC=CCC1 ZINC000093101112 360218710 /nfs/dbraw/zinc/21/87/10/360218710.db2.gz WISHGTVJMGIHQV-CQSZACIVSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)(C)C[N@H+](CCC#N)CC(C)(C)CCC#N ZINC000093101311 360218689 /nfs/dbraw/zinc/21/86/89/360218689.db2.gz HMFPXRBXVUQAPC-UHFFFAOYSA-N 1 0 249.402 3.578 20 30 BHEDRO CC[C@@H](C)C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000093109618 398308232 /nfs/dbraw/zinc/30/82/32/398308232.db2.gz FADCLCYKNUSZDZ-HIFRSBDPSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@H](C)C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000093109620 398308506 /nfs/dbraw/zinc/30/85/06/398308506.db2.gz FADCLCYKNUSZDZ-ZFWWWQNUSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@@H](C)C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000093109622 398308474 /nfs/dbraw/zinc/30/84/74/398308474.db2.gz FADCLCYKNUSZDZ-UKRRQHHQSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@H](C)C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000093109623 398308535 /nfs/dbraw/zinc/30/85/35/398308535.db2.gz FADCLCYKNUSZDZ-DZGCQCFKSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000093132139 388740195 /nfs/dbraw/zinc/74/01/95/388740195.db2.gz FSMJQYKVYSXXBU-VXGBXAGGSA-N 1 0 246.354 3.550 20 30 BHEDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000093132140 171361887 /nfs/dbraw/zinc/36/18/87/171361887.db2.gz FSMJQYKVYSXXBU-NWDGAFQWSA-N 1 0 246.354 3.550 20 30 BHEDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000093132141 170788350 /nfs/dbraw/zinc/78/83/50/170788350.db2.gz FSMJQYKVYSXXBU-NEPJUHHUSA-N 1 0 246.354 3.550 20 30 BHEDRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000093132142 171385827 /nfs/dbraw/zinc/38/58/27/171385827.db2.gz FSMJQYKVYSXXBU-RYUDHWBXSA-N 1 0 246.354 3.550 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ncccc1C ZINC000093175502 388827470 /nfs/dbraw/zinc/82/74/70/388827470.db2.gz BRVUTIFVPXSRED-UHFFFAOYSA-N 1 0 232.371 3.568 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1cc(C#N)ccc1F ZINC000093250952 386935946 /nfs/dbraw/zinc/93/59/46/386935946.db2.gz OOCOPMWXDWUMFO-GFCCVEGCSA-N 1 0 248.345 3.565 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1cc(C#N)ccc1F ZINC000093250953 386934470 /nfs/dbraw/zinc/93/44/70/386934470.db2.gz OOCOPMWXDWUMFO-LBPRGKRZSA-N 1 0 248.345 3.565 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)CCCC(C)(C)C#N ZINC000093250960 323169443 /nfs/dbraw/zinc/16/94/43/323169443.db2.gz MSDZOGIENJTQGA-CYBMUJFWSA-N 1 0 224.392 3.684 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)CCCC(C)(C)C#N ZINC000093250961 323169445 /nfs/dbraw/zinc/16/94/45/323169445.db2.gz MSDZOGIENJTQGA-ZDUSSCGKSA-N 1 0 224.392 3.684 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(C#N)cc1F ZINC000093250990 323169459 /nfs/dbraw/zinc/16/94/59/323169459.db2.gz LPCBZQAHADJYSP-GFCCVEGCSA-N 1 0 248.345 3.565 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(C#N)cc1F ZINC000093250991 323169450 /nfs/dbraw/zinc/16/94/50/323169450.db2.gz LPCBZQAHADJYSP-LBPRGKRZSA-N 1 0 248.345 3.565 20 30 BHEDRO CCC(CC)[N@H+](CCCCC#N)CC(C)C ZINC000093309050 360227595 /nfs/dbraw/zinc/22/75/95/360227595.db2.gz GWTFJNGNMNMVIY-UHFFFAOYSA-N 1 0 224.392 3.827 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC2(CCCC2)C1 ZINC000093336710 360232674 /nfs/dbraw/zinc/23/26/74/360232674.db2.gz KPUJVCMTBLFTAK-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093338615 360234717 /nfs/dbraw/zinc/23/47/17/360234717.db2.gz MTXOOZAMLORWPO-AWEZNQCLSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093338616 360233682 /nfs/dbraw/zinc/23/36/82/360233682.db2.gz MTXOOZAMLORWPO-CQSZACIVSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000093359342 360235546 /nfs/dbraw/zinc/23/55/46/360235546.db2.gz ICCRANPMCKAWQJ-UHFFFAOYSA-N 1 0 240.350 3.566 20 30 BHEDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000093444167 411242250 /nfs/dbraw/zinc/24/22/50/411242250.db2.gz BIJOIGHUZXCXNP-AWEZNQCLSA-N 1 0 248.395 3.630 20 30 BHEDRO 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ZINC000093817042 386376853 /nfs/dbraw/zinc/37/68/53/386376853.db2.gz XWRJXTLZHNHAQH-UHFFFAOYSA-N 1 0 248.370 3.655 20 30 BHEDRO CCC(CC)[N@@H+](Cc1ccc(C#N)o1)CC(C)C ZINC000093844709 388746209 /nfs/dbraw/zinc/74/62/09/388746209.db2.gz PIMNDVXKPUGICF-UHFFFAOYSA-N 1 0 248.370 3.798 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)CC(C)(C)CCC#N ZINC000093845027 360282989 /nfs/dbraw/zinc/28/29/89/360282989.db2.gz VSOUKXAHXMWYKE-CYBMUJFWSA-N 1 0 224.392 3.684 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)CC(C)(C)CCC#N ZINC000093845028 360283560 /nfs/dbraw/zinc/28/35/60/360283560.db2.gz VSOUKXAHXMWYKE-ZDUSSCGKSA-N 1 0 224.392 3.684 20 30 BHEDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093845061 371187803 /nfs/dbraw/zinc/18/78/03/371187803.db2.gz YNHXKBGDFYZYII-ZDUSSCGKSA-N 1 0 246.354 3.552 20 30 BHEDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093845062 371187857 /nfs/dbraw/zinc/18/78/57/371187857.db2.gz YNHXKBGDFYZYII-CYBMUJFWSA-N 1 0 246.354 3.552 20 30 BHEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093845174 384278191 /nfs/dbraw/zinc/27/81/91/384278191.db2.gz VDQHURRDFAGUKW-DOMZBBRYSA-N 1 0 246.354 3.552 20 30 BHEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093845175 388746628 /nfs/dbraw/zinc/74/66/28/388746628.db2.gz VDQHURRDFAGUKW-WFASDCNBSA-N 1 0 246.354 3.552 20 30 BHEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093845176 388746363 /nfs/dbraw/zinc/74/63/63/388746363.db2.gz VDQHURRDFAGUKW-IUODEOHRSA-N 1 0 246.354 3.552 20 30 BHEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093845177 388746475 /nfs/dbraw/zinc/74/64/75/388746475.db2.gz VDQHURRDFAGUKW-SWLSCSKDSA-N 1 0 246.354 3.552 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000094278295 387017226 /nfs/dbraw/zinc/01/72/26/387017226.db2.gz CIFPHAHZUPABHH-HNNXBMFYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000094278296 387016446 /nfs/dbraw/zinc/01/64/46/387016446.db2.gz CIFPHAHZUPABHH-OAHLLOKOSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000094278305 387016427 /nfs/dbraw/zinc/01/64/27/387016427.db2.gz YFSJMMKTKFAPAY-HNNXBMFYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000094278306 387017787 /nfs/dbraw/zinc/01/77/87/387017787.db2.gz YFSJMMKTKFAPAY-OAHLLOKOSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000094305386 387300356 /nfs/dbraw/zinc/30/03/56/387300356.db2.gz NRVIGQRQDJQFCE-SWLSCSKDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000094305387 387296365 /nfs/dbraw/zinc/29/63/65/387296365.db2.gz NRVIGQRQDJQFCE-IUODEOHRSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000094305388 387289400 /nfs/dbraw/zinc/28/94/00/387289400.db2.gz NRVIGQRQDJQFCE-WFASDCNBSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000094305389 387286801 /nfs/dbraw/zinc/28/68/01/387286801.db2.gz NRVIGQRQDJQFCE-DOMZBBRYSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cccc(C#N)c1 ZINC000094321629 387477214 /nfs/dbraw/zinc/47/72/14/387477214.db2.gz HJCSGKBTXUCVBV-SWLSCSKDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cccc(C#N)c1 ZINC000094321630 262765735 /nfs/dbraw/zinc/76/57/35/262765735.db2.gz HJCSGKBTXUCVBV-IUODEOHRSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cccc(C#N)c1 ZINC000094321631 262765677 /nfs/dbraw/zinc/76/56/77/262765677.db2.gz HJCSGKBTXUCVBV-WFASDCNBSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1cccc(C#N)c1 ZINC000094321632 398315093 /nfs/dbraw/zinc/31/50/93/398315093.db2.gz HJCSGKBTXUCVBV-DOMZBBRYSA-N 1 0 242.366 3.788 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000094323956 398314780 /nfs/dbraw/zinc/31/47/80/398314780.db2.gz LWYMOBKUZJOQPD-ZDUSSCGKSA-N 1 0 248.395 3.678 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000094323957 259451945 /nfs/dbraw/zinc/45/19/45/259451945.db2.gz LWYMOBKUZJOQPD-CYBMUJFWSA-N 1 0 248.395 3.678 20 30 BHEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCCCC1(C)C ZINC000094325132 323188978 /nfs/dbraw/zinc/18/89/78/323188978.db2.gz IONZRSDARCTKRR-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCCCC1(C)C ZINC000094325133 323188984 /nfs/dbraw/zinc/18/89/84/323188984.db2.gz IONZRSDARCTKRR-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000094325274 323188948 /nfs/dbraw/zinc/18/89/48/323188948.db2.gz HVVFZQGSQHYJNT-INIZCTEOSA-N 1 0 241.378 3.597 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000094325275 323188963 /nfs/dbraw/zinc/18/89/63/323188963.db2.gz HVVFZQGSQHYJNT-MRXNPFEDSA-N 1 0 241.378 3.597 20 30 BHEDRO CCC1(CC)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000094802930 363048044 /nfs/dbraw/zinc/04/80/44/363048044.db2.gz VENSWNXXOLFBPV-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CCC1(CC)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000094802939 363045526 /nfs/dbraw/zinc/04/55/26/363045526.db2.gz VQHOIBXNGQXUAR-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CCC1(CC)CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000094802943 386957997 /nfs/dbraw/zinc/95/79/97/386957997.db2.gz OVJBXRHKVBEBOH-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC1(CC)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000094802944 363042633 /nfs/dbraw/zinc/04/26/33/363042633.db2.gz JIDJCZVLHGZWOB-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)C[N@H+](CCC(C)(C)C#N)C1CCCC1 ZINC000094848690 386962654 /nfs/dbraw/zinc/96/26/54/386962654.db2.gz LKQPXKFDSDZRRP-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](CCC(C)(C)C#N)C1CCC(C)(C)CC1 ZINC000094859559 386964710 /nfs/dbraw/zinc/96/47/10/386964710.db2.gz OWIYYXSAWXSUSW-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](CCCCC#N)C1CCC(C)(C)CC1 ZINC000094859592 360323729 /nfs/dbraw/zinc/32/37/29/360323729.db2.gz UFTRMPODOPKEDK-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccoc1 ZINC000094868164 325790778 /nfs/dbraw/zinc/79/07/78/325790778.db2.gz RIFUFALGCHKJJB-RYUDHWBXSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccc(C#N)cc1 ZINC000094868165 388628384 /nfs/dbraw/zinc/62/83/84/388628384.db2.gz RIFUFALGCHKJJB-NEPJUHHUSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccoc1 ZINC000094868166 325790811 /nfs/dbraw/zinc/79/08/11/325790811.db2.gz RIFUFALGCHKJJB-NWDGAFQWSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccoc1 ZINC000094868167 325791062 /nfs/dbraw/zinc/79/10/62/325791062.db2.gz RIFUFALGCHKJJB-VXGBXAGGSA-N 1 0 240.306 3.563 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1F ZINC000094954950 386971810 /nfs/dbraw/zinc/97/18/10/386971810.db2.gz DRYQFBORXKWABA-GFCCVEGCSA-N 1 0 248.345 3.725 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000096033117 386580924 /nfs/dbraw/zinc/58/09/24/386580924.db2.gz YUGPRZACSCIDIA-ZDUSSCGKSA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000096033118 386580341 /nfs/dbraw/zinc/58/03/41/386580341.db2.gz YUGPRZACSCIDIA-CYBMUJFWSA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000096033669 166299877 /nfs/dbraw/zinc/29/98/77/166299877.db2.gz PMIZJBZWVQJHJJ-STQMWFEESA-N 1 0 203.329 3.692 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000096033670 166294544 /nfs/dbraw/zinc/29/45/44/166294544.db2.gz PMIZJBZWVQJHJJ-OLZOCXBDSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000096033671 166301487 /nfs/dbraw/zinc/30/14/87/166301487.db2.gz PMIZJBZWVQJHJJ-QWHCGFSZSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000096033672 166294952 /nfs/dbraw/zinc/29/49/52/166294952.db2.gz PMIZJBZWVQJHJJ-CHWSQXEVSA-N 1 0 203.329 3.692 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000096034161 386581056 /nfs/dbraw/zinc/58/10/56/386581056.db2.gz RUJZGFLGGBNTON-ZDUSSCGKSA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000096034162 386579987 /nfs/dbraw/zinc/57/99/87/386579987.db2.gz RUJZGFLGGBNTON-CYBMUJFWSA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000096034231 188583485 /nfs/dbraw/zinc/58/34/85/188583485.db2.gz FFKMZVLNYSZJSC-AWEZNQCLSA-N 1 0 203.329 3.549 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000096034232 386580562 /nfs/dbraw/zinc/58/05/62/386580562.db2.gz FFKMZVLNYSZJSC-CQSZACIVSA-N 1 0 203.329 3.549 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000096034248 166299429 /nfs/dbraw/zinc/29/94/29/166299429.db2.gz YAOKHWZRKNOTIP-NSHDSACASA-N 1 0 223.747 3.784 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000096034249 166295954 /nfs/dbraw/zinc/29/59/54/166295954.db2.gz YAOKHWZRKNOTIP-LLVKDONJSA-N 1 0 223.747 3.784 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000096034250 166300402 /nfs/dbraw/zinc/30/04/02/166300402.db2.gz ROFZWEGJZJFDPZ-NSHDSACASA-N 1 0 223.747 3.784 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000096034251 166295357 /nfs/dbraw/zinc/29/53/57/166295357.db2.gz ROFZWEGJZJFDPZ-LLVKDONJSA-N 1 0 223.747 3.784 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000096034264 166300312 /nfs/dbraw/zinc/30/03/12/166300312.db2.gz WVYHKVOZMVQWJB-NSHDSACASA-N 1 0 223.747 3.784 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000096034265 166295075 /nfs/dbraw/zinc/29/50/75/166295075.db2.gz WVYHKVOZMVQWJB-LLVKDONJSA-N 1 0 223.747 3.784 20 30 BHEDRO Cc1cccc(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000096832899 344382418 /nfs/dbraw/zinc/38/24/18/344382418.db2.gz UVUAARJGWPTIQR-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO CCc1ccc([C@H]([NH2+]CCCC#N)C(C)C)cc1 ZINC000096982076 171843742 /nfs/dbraw/zinc/84/37/42/171843742.db2.gz PFPQAVZKNHWZDQ-MRXNPFEDSA-N 1 0 244.382 3.839 20 30 BHEDRO CCc1ccc([C@@H]([NH2+]CCCC#N)C(C)C)cc1 ZINC000096982077 171835158 /nfs/dbraw/zinc/83/51/58/171835158.db2.gz PFPQAVZKNHWZDQ-INIZCTEOSA-N 1 0 244.382 3.839 20 30 BHEDRO CC(C)[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000096982333 398314174 /nfs/dbraw/zinc/31/41/74/398314174.db2.gz URSNWFYGTAGWLC-HNNXBMFYSA-N 1 0 230.355 3.667 20 30 BHEDRO CC(C)[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000096982334 398314418 /nfs/dbraw/zinc/31/44/18/398314418.db2.gz URSNWFYGTAGWLC-OAHLLOKOSA-N 1 0 230.355 3.667 20 30 BHEDRO C=CC[N@@H+](C)Cc1c2ccccc2oc1CC ZINC000096982376 360358792 /nfs/dbraw/zinc/35/87/92/360358792.db2.gz FXPBXWZGBQQIRA-UHFFFAOYSA-N 1 0 229.323 3.613 20 30 BHEDRO C=CC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000097079237 386419575 /nfs/dbraw/zinc/41/95/75/386419575.db2.gz ALPXUWQAELGYPE-CYBMUJFWSA-N 1 0 203.329 3.549 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000097079238 386418574 /nfs/dbraw/zinc/41/85/74/386418574.db2.gz ALPXUWQAELGYPE-ZDUSSCGKSA-N 1 0 203.329 3.549 20 30 BHEDRO CC(C)(C)[C@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000097079436 384495552 /nfs/dbraw/zinc/49/55/52/384495552.db2.gz CBWDZYITAPWGNA-CQSZACIVSA-N 1 0 248.345 3.806 20 30 BHEDRO CC(C)(C)[C@@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000097079437 384494660 /nfs/dbraw/zinc/49/46/60/384494660.db2.gz CBWDZYITAPWGNA-AWEZNQCLSA-N 1 0 248.345 3.806 20 30 BHEDRO CCCC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000097153515 388834210 /nfs/dbraw/zinc/83/42/10/388834210.db2.gz DBPWNFQZEPDAHM-ZDUSSCGKSA-N 1 0 230.355 3.741 20 30 BHEDRO C=CC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000097493105 166344988 /nfs/dbraw/zinc/34/49/88/166344988.db2.gz IPQXLXGIHIHJMX-UHFFFAOYSA-N 1 0 229.367 3.660 20 30 BHEDRO C=C(C[NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000097602921 386471055 /nfs/dbraw/zinc/47/10/55/386471055.db2.gz WYGHWYUGNWQXEI-CJNGLKHVSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000097602922 256649895 /nfs/dbraw/zinc/64/98/95/256649895.db2.gz WYGHWYUGNWQXEI-BBRMVZONSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000097602923 386470034 /nfs/dbraw/zinc/47/00/34/386470034.db2.gz WYGHWYUGNWQXEI-CZUORRHYSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000097602924 386469309 /nfs/dbraw/zinc/46/93/09/386469309.db2.gz WYGHWYUGNWQXEI-XJKSGUPXSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+]C1CCCCC1)c1ccccc1 ZINC000097602925 386470896 /nfs/dbraw/zinc/47/08/96/386470896.db2.gz OSVCYAUEOQUQGH-UHFFFAOYSA-N 1 0 215.340 3.622 20 30 BHEDRO C=C(C[NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000097602928 386470579 /nfs/dbraw/zinc/47/05/79/386470579.db2.gz SSMKHOKIXAMVHI-UHFFFAOYSA-N 1 0 229.367 3.868 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861968 534349937 /nfs/dbraw/zinc/34/99/37/534349937.db2.gz YCKYTNRMEDWRRI-LBPRGKRZSA-N 1 0 240.350 3.597 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861969 534887401 /nfs/dbraw/zinc/88/74/01/534887401.db2.gz YCKYTNRMEDWRRI-GFCCVEGCSA-N 1 0 240.350 3.597 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000098130026 386581015 /nfs/dbraw/zinc/58/10/15/386581015.db2.gz LFBQDKOGYKNHKA-QWHCGFSZSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000098130027 256663711 /nfs/dbraw/zinc/66/37/11/256663711.db2.gz LFBQDKOGYKNHKA-STQMWFEESA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000098130028 256663876 /nfs/dbraw/zinc/66/38/76/256663876.db2.gz LFBQDKOGYKNHKA-CHWSQXEVSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000098130029 386579886 /nfs/dbraw/zinc/57/98/86/386579886.db2.gz LFBQDKOGYKNHKA-OLZOCXBDSA-N 1 0 203.329 3.529 20 30 BHEDRO N#CCCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000102397345 134597525 /nfs/dbraw/zinc/59/75/25/134597525.db2.gz YFNVGAVQQWGALD-UHFFFAOYSA-N 1 0 242.366 3.560 20 30 BHEDRO CC[N@H+](CCCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000102397555 136273795 /nfs/dbraw/zinc/27/37/95/136273795.db2.gz GMCPBPBQELPYBR-ZDUSSCGKSA-N 1 0 248.345 3.902 20 30 BHEDRO CC[N@H+](CCCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000102397559 136273756 /nfs/dbraw/zinc/27/37/56/136273756.db2.gz GMCPBPBQELPYBR-CYBMUJFWSA-N 1 0 248.345 3.902 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000102397610 387229732 /nfs/dbraw/zinc/22/97/32/387229732.db2.gz JKZGMZDLDWQHJN-HNNXBMFYSA-N 1 0 234.387 3.725 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000102397611 387229981 /nfs/dbraw/zinc/22/99/81/387229981.db2.gz JKZGMZDLDWQHJN-OAHLLOKOSA-N 1 0 234.387 3.725 20 30 BHEDRO N#CCCCC[N@H+](CC1CCCCC1)C1CC1 ZINC000102397654 136273666 /nfs/dbraw/zinc/27/36/66/136273666.db2.gz GKCNPEUAVJEQTQ-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000102399973 397772790 /nfs/dbraw/zinc/77/27/90/397772790.db2.gz AWYBTZBFLOXYNS-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCCCC#N ZINC000102399974 397772914 /nfs/dbraw/zinc/77/29/14/397772914.db2.gz AWYBTZBFLOXYNS-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO C[N@H+](CCCCC#N)C1CCCCCCC1 ZINC000102400124 587831296 /nfs/dbraw/zinc/83/12/96/587831296.db2.gz SNNGVHVONMOOMW-UHFFFAOYSA-N 1 0 222.376 3.725 20 30 BHEDRO C[N@H+](CCCCC#N)CCC1CCCCC1 ZINC000102401682 536329214 /nfs/dbraw/zinc/32/92/14/536329214.db2.gz YHOKVNOEVWTMQP-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO CC(C)[N@H+](CCCCC#N)C1CCCCC1 ZINC000102768523 384576033 /nfs/dbraw/zinc/57/60/33/384576033.db2.gz IXVDYNAMNHDALR-UHFFFAOYSA-N 1 0 222.376 3.723 20 30 BHEDRO CCCCCCCCC[N@H+](C)CCC#N ZINC000102926548 633007856 /nfs/dbraw/zinc/00/78/56/633007856.db2.gz JEAUQLABIYUVOF-UHFFFAOYSA-N 1 0 210.365 3.582 20 30 BHEDRO CCCCCCCC[N@H+](C)[C@@H](C)CC#N ZINC000102970710 585044186 /nfs/dbraw/zinc/04/41/86/585044186.db2.gz PEUPAXLCKNZESF-ZDUSSCGKSA-N 1 0 210.365 3.581 20 30 BHEDRO CCCCCCCC[N@H+](C)[C@H](C)CC#N ZINC000102970711 585044326 /nfs/dbraw/zinc/04/43/26/585044326.db2.gz PEUPAXLCKNZESF-CYBMUJFWSA-N 1 0 210.365 3.581 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000103036209 188505036 /nfs/dbraw/zinc/50/50/36/188505036.db2.gz PFSOTAJKKGMULZ-UHFFFAOYSA-N 1 0 230.355 3.618 20 30 BHEDRO CCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000103036211 585051756 /nfs/dbraw/zinc/05/17/56/585051756.db2.gz IFSHTQFSEDLEFB-UHFFFAOYSA-N 1 0 230.355 3.618 20 30 BHEDRO CCCCCCC[NH2+]Cc1cccc(COC)c1 ZINC000103086180 585059010 /nfs/dbraw/zinc/05/90/10/585059010.db2.gz LYBNLTZUEFXKQJ-UHFFFAOYSA-N 1 0 249.398 3.893 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000103108631 585059374 /nfs/dbraw/zinc/05/93/74/585059374.db2.gz ROSJLKJOIXZVFL-CABCVRRESA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000103108636 585059377 /nfs/dbraw/zinc/05/93/77/585059377.db2.gz ROSJLKJOIXZVFL-GJZGRUSLSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000103108639 585059351 /nfs/dbraw/zinc/05/93/51/585059351.db2.gz ROSJLKJOIXZVFL-HUUCEWRRSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000103108642 585059463 /nfs/dbraw/zinc/05/94/63/585059463.db2.gz ROSJLKJOIXZVFL-LSDHHAIUSA-N 1 0 241.419 3.752 20 30 BHEDRO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H](C)C(C)C ZINC000103227114 358010681 /nfs/dbraw/zinc/01/06/81/358010681.db2.gz XNPXPVCRWMXFMR-LBPRGKRZSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[N@H+](Cc1ccc(F)cc1C#N)[C@H](C)C(C)C ZINC000103227120 358011434 /nfs/dbraw/zinc/01/14/34/358011434.db2.gz XNPXPVCRWMXFMR-GFCCVEGCSA-N 1 0 248.345 3.564 20 30 BHEDRO CCCCCCCC[NH2+]Cc1nc(C)cs1 ZINC000103325488 633150242 /nfs/dbraw/zinc/15/02/42/633150242.db2.gz JTAJWTWLIYOEIE-UHFFFAOYSA-N 1 0 240.416 3.902 20 30 BHEDRO CCCCCCC[NH2+]Cc1nc(C)cs1 ZINC000103405973 585101672 /nfs/dbraw/zinc/10/16/72/585101672.db2.gz IOAOSHBXXCIRQG-UHFFFAOYSA-N 1 0 226.389 3.512 20 30 BHEDRO CCCCCCCCC[NH2+]C[C@@H]1CCCOC1 ZINC000103438698 520026957 /nfs/dbraw/zinc/02/69/57/520026957.db2.gz GWXGAAFIHOUPOV-HNNXBMFYSA-N 1 0 241.419 3.753 20 30 BHEDRO CCCCCCCCC[NH2+]C[C@H]1CCCOC1 ZINC000103438701 520026930 /nfs/dbraw/zinc/02/69/30/520026930.db2.gz GWXGAAFIHOUPOV-OAHLLOKOSA-N 1 0 241.419 3.753 20 30 BHEDRO CCCCCCC[NH2+]Cc1csc(C)n1 ZINC000103517153 585331884 /nfs/dbraw/zinc/33/18/84/585331884.db2.gz JBEOEBJCUOCPMC-UHFFFAOYSA-N 1 0 226.389 3.512 20 30 BHEDRO CCCCCCCC[NH2+]Cc1csc(C)n1 ZINC000103517156 585331771 /nfs/dbraw/zinc/33/17/71/585331771.db2.gz OUKVKQPWHNQPFG-UHFFFAOYSA-N 1 0 240.416 3.902 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000103530208 585334869 /nfs/dbraw/zinc/33/48/69/585334869.db2.gz RRZONJNTUDQFID-ILXRZTDVSA-N 1 0 241.419 3.629 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000103530212 585335055 /nfs/dbraw/zinc/33/50/55/585335055.db2.gz RRZONJNTUDQFID-KKUMJFAQSA-N 1 0 241.419 3.629 20 30 BHEDRO CCCCCCC[NH2+]Cc1cnc(C)s1 ZINC000103535674 643344103 /nfs/dbraw/zinc/34/41/03/643344103.db2.gz QWCHEPLBGNFDAP-UHFFFAOYSA-N 1 0 226.389 3.512 20 30 BHEDRO CCCCCCCC[NH2+]Cc1cnc(C)s1 ZINC000103535681 633928313 /nfs/dbraw/zinc/92/83/13/633928313.db2.gz CXRKUDVSQFNWEQ-UHFFFAOYSA-N 1 0 240.416 3.902 20 30 BHEDRO CCCCCCCC[NH2+]Cc1nccs1 ZINC000103546536 633934389 /nfs/dbraw/zinc/93/43/89/633934389.db2.gz HPFXTWLNSGCKOK-UHFFFAOYSA-N 1 0 226.389 3.593 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](CO)c1ccccc1 ZINC000103855537 587103777 /nfs/dbraw/zinc/10/37/77/587103777.db2.gz PGZKBPROJSSKKI-INIZCTEOSA-N 1 0 249.398 3.670 20 30 BHEDRO CCCCCCCC[NH2+][C@H](CO)c1ccccc1 ZINC000103855543 587104236 /nfs/dbraw/zinc/10/42/36/587104236.db2.gz PGZKBPROJSSKKI-MRXNPFEDSA-N 1 0 249.398 3.670 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1nccs1 ZINC000104242684 587950587 /nfs/dbraw/zinc/95/05/87/587950587.db2.gz IGZXHZKGDNFATK-GFCCVEGCSA-N 1 0 240.416 3.982 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]Cc1nccs1 ZINC000104242686 587950550 /nfs/dbraw/zinc/95/05/50/587950550.db2.gz IGZXHZKGDNFATK-LBPRGKRZSA-N 1 0 240.416 3.982 20 30 BHEDRO C[C@H]([NH2+]CC1(C)CCCC1)c1ccc(C#N)cc1 ZINC000104444808 387493359 /nfs/dbraw/zinc/49/33/59/387493359.db2.gz PPLCOOWUZONCEN-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccc(C#N)cc1 ZINC000104444811 387494028 /nfs/dbraw/zinc/49/40/28/387494028.db2.gz PPLCOOWUZONCEN-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO N#CCCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104702607 384837629 /nfs/dbraw/zinc/83/76/29/384837629.db2.gz NTXCTDINZDBRCL-INIZCTEOSA-N 1 0 242.366 3.811 20 30 BHEDRO N#CCCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104702612 384840529 /nfs/dbraw/zinc/84/05/29/384840529.db2.gz NTXCTDINZDBRCL-MRXNPFEDSA-N 1 0 242.366 3.811 20 30 BHEDRO N#CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104704844 384837912 /nfs/dbraw/zinc/83/79/12/384837912.db2.gz MKSRVOCJNTUWCE-OAHLLOKOSA-N 1 0 246.329 3.560 20 30 BHEDRO N#CCCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000104704846 384837771 /nfs/dbraw/zinc/83/77/71/384837771.db2.gz MKSRVOCJNTUWCE-HNNXBMFYSA-N 1 0 246.329 3.560 20 30 BHEDRO N#CCCC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000104707585 384838414 /nfs/dbraw/zinc/83/84/14/384838414.db2.gz NMDKMMVVWIJZNU-UHFFFAOYSA-N 1 0 248.757 3.613 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[N@H+](CCCCC#N)C1CC1 ZINC000104967243 384727927 /nfs/dbraw/zinc/72/79/27/384727927.db2.gz PXPLNMDKCABGLF-CHWSQXEVSA-N 1 0 222.376 3.579 20 30 BHEDRO CC[C@H](C)[C@@H](C)[N@H+](CCCCC#N)C1CC1 ZINC000104967246 384727822 /nfs/dbraw/zinc/72/78/22/384727822.db2.gz PXPLNMDKCABGLF-QWHCGFSZSA-N 1 0 222.376 3.579 20 30 BHEDRO CC[C@@H](C)[C@H](C)[N@H+](CCCCC#N)C1CC1 ZINC000104967249 384726962 /nfs/dbraw/zinc/72/69/62/384726962.db2.gz PXPLNMDKCABGLF-OLZOCXBDSA-N 1 0 222.376 3.579 20 30 BHEDRO CC[C@H](C)[C@H](C)[N@H+](CCCCC#N)C1CC1 ZINC000104967252 384727014 /nfs/dbraw/zinc/72/70/14/384727014.db2.gz PXPLNMDKCABGLF-STQMWFEESA-N 1 0 222.376 3.579 20 30 BHEDRO CCCCCCC[NH2+]C[C@H]1CC=CCC1 ZINC000105807284 588224357 /nfs/dbraw/zinc/22/43/57/588224357.db2.gz OUDYXTQVUJBHTF-AWEZNQCLSA-N 1 0 209.377 3.903 20 30 BHEDRO CCCCCCC[NH2+]C[C@@H]1CC=CCC1 ZINC000105807288 588224439 /nfs/dbraw/zinc/22/44/39/588224439.db2.gz OUDYXTQVUJBHTF-CQSZACIVSA-N 1 0 209.377 3.903 20 30 BHEDRO CCCCCCCC[NH2+]Cc1cccc(O)c1 ZINC000105807493 588224436 /nfs/dbraw/zinc/22/44/36/588224436.db2.gz YVXVBGQMQMESLO-UHFFFAOYSA-N 1 0 235.371 3.842 20 30 BHEDRO CCCCCCCC[NH2+]Cc1c(C)noc1C ZINC000105807710 588224309 /nfs/dbraw/zinc/22/43/09/588224309.db2.gz QYPNYSFHNJDRPY-UHFFFAOYSA-N 1 0 238.375 3.742 20 30 BHEDRO CCCCCCCC[NH2+]C1CCSCC1 ZINC000105807715 588224441 /nfs/dbraw/zinc/22/44/41/588224441.db2.gz XJZOJIYIRFZRFM-UHFFFAOYSA-N 1 0 229.433 3.832 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1cc(C)on1 ZINC000105886531 588229029 /nfs/dbraw/zinc/22/90/29/588229029.db2.gz MEOBOPHMHZOLFV-UHFFFAOYSA-N 1 0 238.375 3.823 20 30 BHEDRO CCCCCCCC[NH2+]Cc1cscn1 ZINC000105932251 588231524 /nfs/dbraw/zinc/23/15/24/588231524.db2.gz PWWTZWYMWJCTRE-UHFFFAOYSA-N 1 0 226.389 3.593 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000105985080 588238682 /nfs/dbraw/zinc/23/86/82/588238682.db2.gz DWZFELGOTGKVAR-GFCCVEGCSA-N 1 0 238.375 3.822 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000105985084 588238540 /nfs/dbraw/zinc/23/85/40/588238540.db2.gz DWZFELGOTGKVAR-LBPRGKRZSA-N 1 0 238.375 3.822 20 30 BHEDRO CCCCCCC[NH2+]Cc1cccc(C)c1O ZINC000106217310 588260089 /nfs/dbraw/zinc/26/00/89/588260089.db2.gz QRJJQCPZHOTUOW-UHFFFAOYSA-N 1 0 235.371 3.761 20 30 BHEDRO CCCCCCC[NH2+]Cc1cc(C)ccc1O ZINC000106217313 588259915 /nfs/dbraw/zinc/25/99/15/588259915.db2.gz ITSJSIRUHQIRJO-UHFFFAOYSA-N 1 0 235.371 3.761 20 30 BHEDRO CCCCCCC[NH2+]Cc1cc(F)ccc1O ZINC000106222946 588260343 /nfs/dbraw/zinc/26/03/43/588260343.db2.gz GCUSBQHREJWVQJ-UHFFFAOYSA-N 1 0 239.334 3.591 20 30 BHEDRO CCCCCCC[NH2+]Cc1cccnc1Cl ZINC000106224889 588260391 /nfs/dbraw/zinc/26/03/91/588260391.db2.gz UUNAZOOYGZDEJQ-UHFFFAOYSA-N 1 0 240.778 3.795 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc(Cl)nc1 ZINC000106224893 588260372 /nfs/dbraw/zinc/26/03/72/588260372.db2.gz JOHPODBMPPDQOR-UHFFFAOYSA-N 1 0 240.778 3.795 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccncc1Cl ZINC000106224897 592703900 /nfs/dbraw/zinc/70/39/00/592703900.db2.gz MFMWQSWXAOKSCC-UHFFFAOYSA-N 1 0 240.778 3.795 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000106237487 635277850 /nfs/dbraw/zinc/27/78/50/635277850.db2.gz FSEDYUYBRCYXGR-UHFFFAOYSA-N 1 0 247.382 3.682 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000106239452 588260840 /nfs/dbraw/zinc/26/08/40/588260840.db2.gz UPEPEXYVBRWTQH-UHFFFAOYSA-N 1 0 248.345 3.757 20 30 BHEDRO CCCCCCCCCC[NH2+]C1CCOCC1 ZINC000107781377 635474517 /nfs/dbraw/zinc/47/45/17/635474517.db2.gz JEDKBNGAMLATGY-UHFFFAOYSA-N 1 0 241.419 3.896 20 30 BHEDRO CCCCCCCC[NH2+]Cc1ccoc1 ZINC000107793039 636864818 /nfs/dbraw/zinc/86/48/18/636864818.db2.gz OOWKPYRRDXPKEA-UHFFFAOYSA-N 1 0 209.333 3.730 20 30 BHEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000108367294 388017443 /nfs/dbraw/zinc/01/74/43/388017443.db2.gz ASUCJPQVSSRFDM-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000108367297 388017685 /nfs/dbraw/zinc/01/76/85/388017685.db2.gz ASUCJPQVSSRFDM-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000108367301 388017711 /nfs/dbraw/zinc/01/77/11/388017711.db2.gz ASUCJPQVSSRFDM-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000108367305 388018066 /nfs/dbraw/zinc/01/80/66/388018066.db2.gz ASUCJPQVSSRFDM-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108386176 368574615 /nfs/dbraw/zinc/57/46/15/368574615.db2.gz IUECPPLQYDJJDN-MRXNPFEDSA-N 1 0 240.350 3.881 20 30 BHEDRO C=CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108386178 368574135 /nfs/dbraw/zinc/57/41/35/368574135.db2.gz IUECPPLQYDJJDN-INIZCTEOSA-N 1 0 240.350 3.881 20 30 BHEDRO C[C@H]([NH2+]CC1(C)CCCC1)c1cccc(C#N)c1 ZINC000108941303 369418421 /nfs/dbraw/zinc/41/84/21/369418421.db2.gz HEVRSRKNBRXFIU-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@@H]([NH2+]CC1(C)CCCC1)c1cccc(C#N)c1 ZINC000108941306 369418782 /nfs/dbraw/zinc/41/87/82/369418782.db2.gz HEVRSRKNBRXFIU-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO CCCCCCC[NH2+]Cc1scnc1C ZINC000109229251 588535266 /nfs/dbraw/zinc/53/52/66/588535266.db2.gz LRHJDENFMATOHH-UHFFFAOYSA-N 1 0 226.389 3.512 20 30 BHEDRO CCCCCCCC[NH2+]Cc1scnc1C ZINC000109229255 588535305 /nfs/dbraw/zinc/53/53/05/588535305.db2.gz UAHWPYNFYLIDPE-UHFFFAOYSA-N 1 0 240.416 3.902 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCCOC1 ZINC000109281462 588541631 /nfs/dbraw/zinc/54/16/31/588541631.db2.gz XFCORDZSMRECOR-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCCOC1 ZINC000109281463 588541825 /nfs/dbraw/zinc/54/18/25/588541825.db2.gz XFCORDZSMRECOR-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCCOC1 ZINC000109281465 588541629 /nfs/dbraw/zinc/54/16/29/588541629.db2.gz XFCORDZSMRECOR-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000109281468 588541410 /nfs/dbraw/zinc/54/14/10/588541410.db2.gz XFCORDZSMRECOR-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H]1CCCOC1 ZINC000109282756 588541521 /nfs/dbraw/zinc/54/15/21/588541521.db2.gz JLOBBDDUECSWSZ-CQSZACIVSA-N 1 0 227.392 3.506 20 30 BHEDRO CCCCCCCCC[NH2+][C@H]1CCCOC1 ZINC000109282758 588541732 /nfs/dbraw/zinc/54/17/32/588541732.db2.gz JLOBBDDUECSWSZ-AWEZNQCLSA-N 1 0 227.392 3.506 20 30 BHEDRO N#CCCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000109800982 344534493 /nfs/dbraw/zinc/53/44/93/344534493.db2.gz YBEGDMWZWPUIQZ-INIZCTEOSA-N 1 0 242.366 3.811 20 30 BHEDRO N#CCCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000109800985 134501703 /nfs/dbraw/zinc/50/17/03/134501703.db2.gz YBEGDMWZWPUIQZ-MRXNPFEDSA-N 1 0 242.366 3.811 20 30 BHEDRO C=C(C[NH2+]Cc1ccccc1F)c1ccccc1 ZINC000110057558 323112660 /nfs/dbraw/zinc/11/26/60/323112660.db2.gz AOQOAQWBEUOGQO-UHFFFAOYSA-N 1 0 241.309 3.629 20 30 BHEDRO C=C(C[NH2+]Cc1sccc1C)c1ccccc1 ZINC000110057613 323112751 /nfs/dbraw/zinc/11/27/51/323112751.db2.gz IPQRWMXKYZZUQE-UHFFFAOYSA-N 1 0 243.375 3.860 20 30 BHEDRO C=C(C[NH2+]Cc1ccsc1)c1ccccc1 ZINC000110057618 347359889 /nfs/dbraw/zinc/35/98/89/347359889.db2.gz OPWGHWCBJKWUDS-UHFFFAOYSA-N 1 0 229.348 3.551 20 30 BHEDRO C=C(C[NH2+]Cc1ccc(C)s1)c1ccccc1 ZINC000110057623 323112807 /nfs/dbraw/zinc/11/28/07/323112807.db2.gz BKWUYKNKHGRCDS-UHFFFAOYSA-N 1 0 243.375 3.860 20 30 BHEDRO C=C(C[NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000110057647 323112794 /nfs/dbraw/zinc/11/27/94/323112794.db2.gz LPGXUHOPAXJGAQ-UHFFFAOYSA-N 1 0 241.309 3.629 20 30 BHEDRO C=C(C[NH2+]Cc1cccc(F)c1)c1ccccc1 ZINC000110057689 323112746 /nfs/dbraw/zinc/11/27/46/323112746.db2.gz BCDVKDFONOMRNM-UHFFFAOYSA-N 1 0 241.309 3.629 20 30 BHEDRO C=C(C[NH2+]Cc1ccccc1C)c1ccccc1 ZINC000110057697 323112657 /nfs/dbraw/zinc/11/26/57/323112657.db2.gz QSSNKYLOIZCNKF-UHFFFAOYSA-N 1 0 237.346 3.798 20 30 BHEDRO C=C(C[NH2+]Cc1ccc(C)cc1)c1ccccc1 ZINC000110057701 323112797 /nfs/dbraw/zinc/11/27/97/323112797.db2.gz OJGOCLYNYSOXOY-UHFFFAOYSA-N 1 0 237.346 3.798 20 30 BHEDRO C=C(C[NH2+]Cc1cccc(C)c1)c1ccccc1 ZINC000110057704 323112778 /nfs/dbraw/zinc/11/27/78/323112778.db2.gz JUPURZOSGGBGJY-UHFFFAOYSA-N 1 0 237.346 3.798 20 30 BHEDRO CC(C)CC[N@H+](CCCC#N)C1CCCC1 ZINC000110364337 344552678 /nfs/dbraw/zinc/55/26/78/344552678.db2.gz HIWNBFUOKLHZHG-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000110595621 323154055 /nfs/dbraw/zinc/15/40/55/323154055.db2.gz UZJIQZINTHOTAB-UHFFFAOYSA-N 1 0 238.334 3.637 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC000111156861 588723486 /nfs/dbraw/zinc/72/34/86/588723486.db2.gz BAFFUPFVOVLLKY-CQSZACIVSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CC1CCOCC1 ZINC000111156862 588723588 /nfs/dbraw/zinc/72/35/88/588723588.db2.gz BAFFUPFVOVLLKY-AWEZNQCLSA-N 1 0 241.419 3.752 20 30 BHEDRO N#CCCCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000111323971 347475788 /nfs/dbraw/zinc/47/57/88/347475788.db2.gz JCHOAJMQRYAENH-UHFFFAOYSA-N 1 0 234.387 3.727 20 30 BHEDRO CCCCCCCC[NH+]1CCC(C(C)=O)CC1 ZINC000111728750 588769440 /nfs/dbraw/zinc/76/94/40/588769440.db2.gz NIJAORHWPWKYGW-UHFFFAOYSA-N 1 0 239.403 3.648 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](CC)CC#N ZINC000111865385 588772306 /nfs/dbraw/zinc/77/23/06/588772306.db2.gz JMRPACXAYSTITB-ZDUSSCGKSA-N 1 0 210.365 3.629 20 30 BHEDRO CCCCCCCC[NH2+][C@H](CC)CC#N ZINC000111865389 588772349 /nfs/dbraw/zinc/77/23/49/588772349.db2.gz JMRPACXAYSTITB-CYBMUJFWSA-N 1 0 210.365 3.629 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CCSC ZINC000111871818 588772291 /nfs/dbraw/zinc/77/22/91/588772291.db2.gz RJBZJRHDBFBREN-GFCCVEGCSA-N 1 0 217.422 3.688 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CCSC ZINC000111871821 583011984 /nfs/dbraw/zinc/01/19/84/583011984.db2.gz RJBZJRHDBFBREN-LBPRGKRZSA-N 1 0 217.422 3.688 20 30 BHEDRO CC(C)C[N@H+](CCCCC#N)C1CCCC1 ZINC000112204719 135026872 /nfs/dbraw/zinc/02/68/72/135026872.db2.gz OQOSEDNMUSNRRT-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)CC[N@H+](CCCCC#N)C1CCCC1 ZINC000112204721 323166831 /nfs/dbraw/zinc/16/68/31/323166831.db2.gz DLGTUIOKYWXMEB-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCCC#N ZINC000112357705 135026768 /nfs/dbraw/zinc/02/67/68/135026768.db2.gz HEMLFCWLYIJGAS-MRXNPFEDSA-N 1 0 244.382 3.928 20 30 BHEDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCCC#N ZINC000112357706 135026477 /nfs/dbraw/zinc/02/64/77/135026477.db2.gz HEMLFCWLYIJGAS-INIZCTEOSA-N 1 0 244.382 3.928 20 30 BHEDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCC#N ZINC000112357785 135026868 /nfs/dbraw/zinc/02/68/68/135026868.db2.gz ZMESYIQQQUWPSY-OAHLLOKOSA-N 1 0 230.355 3.538 20 30 BHEDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCC#N ZINC000112357786 135026902 /nfs/dbraw/zinc/02/69/02/135026902.db2.gz ZMESYIQQQUWPSY-HNNXBMFYSA-N 1 0 230.355 3.538 20 30 BHEDRO C=C(Cl)C[N@H+](CC1CC1)C1CCCCC1 ZINC000112515026 588800731 /nfs/dbraw/zinc/80/07/31/588800731.db2.gz NTOGRCPELCDAJU-UHFFFAOYSA-N 1 0 227.779 3.784 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1nccs1 ZINC000112576365 588804362 /nfs/dbraw/zinc/80/43/62/588804362.db2.gz IHDURDDLMOITLH-NSHDSACASA-N 1 0 226.389 3.764 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1nccs1 ZINC000112576367 588804272 /nfs/dbraw/zinc/80/42/72/588804272.db2.gz IHDURDDLMOITLH-LLVKDONJSA-N 1 0 226.389 3.764 20 30 BHEDRO C[N@H+](CCC(C)(C)C)Cc1cc(C#N)ccc1F ZINC000112696986 323171561 /nfs/dbraw/zinc/17/15/61/323171561.db2.gz CJQGFIOZFRNWDW-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCCC#N ZINC000112698977 344649865 /nfs/dbraw/zinc/64/98/65/344649865.db2.gz MRJQKNPZQKSPEK-HNNXBMFYSA-N 1 0 230.355 3.619 20 30 BHEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCCC#N ZINC000112698978 535168595 /nfs/dbraw/zinc/16/85/95/535168595.db2.gz MRJQKNPZQKSPEK-OAHLLOKOSA-N 1 0 230.355 3.619 20 30 BHEDRO C=CC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000112699358 323171639 /nfs/dbraw/zinc/17/16/39/323171639.db2.gz PAISFFPSPFZSJS-AWEZNQCLSA-N 1 0 203.329 3.502 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000112699359 323171624 /nfs/dbraw/zinc/17/16/24/323171624.db2.gz PAISFFPSPFZSJS-CQSZACIVSA-N 1 0 203.329 3.502 20 30 BHEDRO CCCCCCCCC[NH+]1CCC(C#N)CC1 ZINC000113368180 588838206 /nfs/dbraw/zinc/83/82/06/588838206.db2.gz NKKRNDVBOGESCU-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO Cc1cccc(C2([NH2+]CCCC#N)CCCC2)c1 ZINC000113932064 136265434 /nfs/dbraw/zinc/26/54/34/136265434.db2.gz UNTXCDBOGZAUNZ-UHFFFAOYSA-N 1 0 242.366 3.658 20 30 BHEDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCCCC#N ZINC000114493002 370569686 /nfs/dbraw/zinc/56/96/86/370569686.db2.gz CMCHKQBGPIXGQZ-MRXNPFEDSA-N 1 0 242.366 3.690 20 30 BHEDRO CC[C@H]1c2ccccc2CC[N@H+]1CCCCC#N ZINC000114493003 370569376 /nfs/dbraw/zinc/56/93/76/370569376.db2.gz CMCHKQBGPIXGQZ-INIZCTEOSA-N 1 0 242.366 3.690 20 30 BHEDRO CCCCCCCC[NH+]1CCC(C#N)CC1 ZINC000114582076 588876033 /nfs/dbraw/zinc/87/60/33/588876033.db2.gz CNLBQPQOJGRSHI-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO CCCCCCCN(CC#N)C1CCCC1 ZINC000114657827 588879280 /nfs/dbraw/zinc/87/92/80/588879280.db2.gz YNGKWFOPHKFRLR-UHFFFAOYSA-N 1 0 222.376 3.725 20 30 BHEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCCC#N)s1 ZINC000114732789 134194231 /nfs/dbraw/zinc/19/42/31/134194231.db2.gz ABHHDQHCLWLBHF-ZDUSSCGKSA-N 1 0 248.395 3.887 20 30 BHEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCCCC#N)s1 ZINC000114732791 134194425 /nfs/dbraw/zinc/19/44/25/134194425.db2.gz ABHHDQHCLWLBHF-CYBMUJFWSA-N 1 0 248.395 3.887 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CC1(O)CCCC1 ZINC000114850467 588886997 /nfs/dbraw/zinc/88/69/97/588886997.db2.gz NGKXXIDNWDKEMJ-CQSZACIVSA-N 1 0 241.419 3.630 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CC1(O)CCCC1 ZINC000114850469 588887085 /nfs/dbraw/zinc/88/70/85/588887085.db2.gz NGKXXIDNWDKEMJ-AWEZNQCLSA-N 1 0 241.419 3.630 20 30 BHEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCCC#N ZINC000115553338 134520600 /nfs/dbraw/zinc/52/06/00/134520600.db2.gz KEHYHDSNJWJWQB-ZBFHGGJFSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCCC#N ZINC000115553340 344711719 /nfs/dbraw/zinc/71/17/19/344711719.db2.gz KEHYHDSNJWJWQB-HOCLYGCPSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCCC#N ZINC000115553342 344711997 /nfs/dbraw/zinc/71/19/97/344711997.db2.gz KEHYHDSNJWJWQB-GDBMZVCRSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCCC#N ZINC000115553343 344711678 /nfs/dbraw/zinc/71/16/78/344711678.db2.gz KEHYHDSNJWJWQB-GOEBONIOSA-N 1 0 242.366 3.558 20 30 BHEDRO CC(C)CC[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000116025325 323202740 /nfs/dbraw/zinc/20/27/40/323202740.db2.gz YAMVSFDXSWAVHY-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000116907705 323889695 /nfs/dbraw/zinc/88/96/95/323889695.db2.gz FRXFOYPCIPUPSU-QWRGUYRKSA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000116907708 323889622 /nfs/dbraw/zinc/88/96/22/323889622.db2.gz FRXFOYPCIPUPSU-MNOVXSKESA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000116907709 388073724 /nfs/dbraw/zinc/07/37/24/388073724.db2.gz FRXFOYPCIPUPSU-WDEREUQCSA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000116907711 323889940 /nfs/dbraw/zinc/88/99/40/323889940.db2.gz FRXFOYPCIPUPSU-GHMZBOCLSA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000116907712 323890213 /nfs/dbraw/zinc/89/02/13/323890213.db2.gz TXTVMQYYOHSWAB-UWVGGRQHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000116907714 383944549 /nfs/dbraw/zinc/94/45/49/383944549.db2.gz TXTVMQYYOHSWAB-ZJUUUORDSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000116907716 323889729 /nfs/dbraw/zinc/88/97/29/323889729.db2.gz TXTVMQYYOHSWAB-VHSXEESVSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000116907718 323890142 /nfs/dbraw/zinc/89/01/42/323890142.db2.gz TXTVMQYYOHSWAB-NXEZZACHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000116907730 323889806 /nfs/dbraw/zinc/88/98/06/323889806.db2.gz DFNAMXKNKSJHHN-KBPBESRZSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000116907731 323889900 /nfs/dbraw/zinc/88/99/00/323889900.db2.gz DFNAMXKNKSJHHN-UONOGXRCSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000116907733 388073038 /nfs/dbraw/zinc/07/30/38/388073038.db2.gz DFNAMXKNKSJHHN-KGLIPLIRSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000116907735 388073908 /nfs/dbraw/zinc/07/39/08/388073908.db2.gz DFNAMXKNKSJHHN-ZIAGYGMSSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000116907837 134950763 /nfs/dbraw/zinc/95/07/63/134950763.db2.gz KNJPTSOBRSQKLE-SWLSCSKDSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000116907839 347346175 /nfs/dbraw/zinc/34/61/75/347346175.db2.gz KNJPTSOBRSQKLE-IUODEOHRSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000116907842 134950630 /nfs/dbraw/zinc/95/06/30/134950630.db2.gz KNJPTSOBRSQKLE-WFASDCNBSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000116907843 347345950 /nfs/dbraw/zinc/34/59/50/347345950.db2.gz KNJPTSOBRSQKLE-DOMZBBRYSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000116907845 136207528 /nfs/dbraw/zinc/20/75/28/136207528.db2.gz NBBFEZFFMOTVGW-UWVGGRQHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000116907847 133443560 /nfs/dbraw/zinc/44/35/60/133443560.db2.gz NBBFEZFFMOTVGW-ZJUUUORDSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000116907849 383952044 /nfs/dbraw/zinc/95/20/44/383952044.db2.gz NBBFEZFFMOTVGW-VHSXEESVSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000116907851 383933922 /nfs/dbraw/zinc/93/39/22/383933922.db2.gz NBBFEZFFMOTVGW-NXEZZACHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000116907853 323889841 /nfs/dbraw/zinc/88/98/41/323889841.db2.gz SZWBEYKPGXMGLW-QWRGUYRKSA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000116907855 323889788 /nfs/dbraw/zinc/88/97/88/323889788.db2.gz SZWBEYKPGXMGLW-MNOVXSKESA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000116907856 388074159 /nfs/dbraw/zinc/07/41/59/388074159.db2.gz SZWBEYKPGXMGLW-WDEREUQCSA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000116907858 323889646 /nfs/dbraw/zinc/88/96/46/323889646.db2.gz SZWBEYKPGXMGLW-GHMZBOCLSA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000116907870 388074030 /nfs/dbraw/zinc/07/40/30/388074030.db2.gz ZSTHDIWRNKYFEN-QWRGUYRKSA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000116907872 388073017 /nfs/dbraw/zinc/07/30/17/388073017.db2.gz ZSTHDIWRNKYFEN-MNOVXSKESA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000116907874 323889718 /nfs/dbraw/zinc/88/97/18/323889718.db2.gz ZSTHDIWRNKYFEN-WDEREUQCSA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000116907877 323890044 /nfs/dbraw/zinc/89/00/44/323890044.db2.gz ZSTHDIWRNKYFEN-GHMZBOCLSA-N 1 0 223.747 3.955 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000116907895 388073894 /nfs/dbraw/zinc/07/38/94/388073894.db2.gz JROZMJKIKOLVFH-UWVGGRQHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000116907897 388073352 /nfs/dbraw/zinc/07/33/52/388073352.db2.gz JROZMJKIKOLVFH-ZJUUUORDSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000116907899 388073809 /nfs/dbraw/zinc/07/38/09/388073809.db2.gz JROZMJKIKOLVFH-VHSXEESVSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000116907900 388073863 /nfs/dbraw/zinc/07/38/63/388073863.db2.gz JROZMJKIKOLVFH-NXEZZACHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000116907922 134803467 /nfs/dbraw/zinc/80/34/67/134803467.db2.gz CGVMOXMLCCTAGA-JSGCOSHPSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000116907925 385804764 /nfs/dbraw/zinc/80/47/64/385804764.db2.gz CGVMOXMLCCTAGA-GXTWGEPZSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000116907927 134803680 /nfs/dbraw/zinc/80/36/80/134803680.db2.gz CGVMOXMLCCTAGA-OCCSQVGLSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000116907928 134803767 /nfs/dbraw/zinc/80/37/67/134803767.db2.gz CGVMOXMLCCTAGA-TZMCWYRMSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000116926515 388076242 /nfs/dbraw/zinc/07/62/42/388076242.db2.gz FHPFZENKJDFRMN-ZDUSSCGKSA-N 1 0 233.355 3.528 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000116926517 323890188 /nfs/dbraw/zinc/89/01/88/323890188.db2.gz FHPFZENKJDFRMN-CYBMUJFWSA-N 1 0 233.355 3.528 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cccc(OCCC)c1 ZINC000116926855 388076719 /nfs/dbraw/zinc/07/67/19/388076719.db2.gz XXUBJZHTEJWHRQ-ZDUSSCGKSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(OCCC)c1 ZINC000116926857 323891270 /nfs/dbraw/zinc/89/12/70/323891270.db2.gz XXUBJZHTEJWHRQ-CYBMUJFWSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000116926875 323890650 /nfs/dbraw/zinc/89/06/50/323890650.db2.gz LQKOLYOYHOAWKH-VIFPVBQESA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000116926877 323891191 /nfs/dbraw/zinc/89/11/91/323891191.db2.gz LQKOLYOYHOAWKH-SECBINFHSA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000116927073 323890579 /nfs/dbraw/zinc/89/05/79/323890579.db2.gz OFCRSGAOWHDULL-JTQLQIEISA-N 1 0 243.272 3.760 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000116927076 323891070 /nfs/dbraw/zinc/89/10/70/323891070.db2.gz OFCRSGAOWHDULL-SNVBAGLBSA-N 1 0 243.272 3.760 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000116927093 534351703 /nfs/dbraw/zinc/35/17/03/534351703.db2.gz PXYXVCFFMFEIAY-ZDUSSCGKSA-N 1 0 233.355 3.528 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000116927095 134219681 /nfs/dbraw/zinc/21/96/81/134219681.db2.gz PXYXVCFFMFEIAY-CYBMUJFWSA-N 1 0 233.355 3.528 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1csc2ccccc12 ZINC000116927146 388076477 /nfs/dbraw/zinc/07/64/77/388076477.db2.gz UMMZBBAOWNEBBD-NSHDSACASA-N 1 0 231.364 3.956 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1csc2ccccc12 ZINC000116927148 388076951 /nfs/dbraw/zinc/07/69/51/388076951.db2.gz UMMZBBAOWNEBBD-LLVKDONJSA-N 1 0 231.364 3.956 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000116927180 517340222 /nfs/dbraw/zinc/34/02/22/517340222.db2.gz FTXTVQDXZOBHAR-ZDUSSCGKSA-N 1 0 233.355 3.528 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000116927183 388076498 /nfs/dbraw/zinc/07/64/98/388076498.db2.gz FTXTVQDXZOBHAR-CYBMUJFWSA-N 1 0 233.355 3.528 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000116927295 388076216 /nfs/dbraw/zinc/07/62/16/388076216.db2.gz HIGXMFQXLVINTE-JTQLQIEISA-N 1 0 243.272 3.760 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000116927297 323891286 /nfs/dbraw/zinc/89/12/86/323891286.db2.gz HIGXMFQXLVINTE-SNVBAGLBSA-N 1 0 243.272 3.760 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000116927299 388076889 /nfs/dbraw/zinc/07/68/89/388076889.db2.gz NWYNWHURBNZSJP-JTQLQIEISA-N 1 0 243.272 3.760 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000116927301 388076870 /nfs/dbraw/zinc/07/68/70/388076870.db2.gz NWYNWHURBNZSJP-SNVBAGLBSA-N 1 0 243.272 3.760 20 30 BHEDRO C=CC[C@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000116927377 323890585 /nfs/dbraw/zinc/89/05/85/323890585.db2.gz GPDWBTXDYTWGEK-CMPYXILNSA-N 1 0 215.340 3.644 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000116927380 388076158 /nfs/dbraw/zinc/07/61/58/388076158.db2.gz GPDWBTXDYTWGEK-YPDDLIOESA-N 1 0 215.340 3.644 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000116927444 385803146 /nfs/dbraw/zinc/80/31/46/385803146.db2.gz ITEFCHDMIYPPTB-VIFPVBQESA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000116927446 385803263 /nfs/dbraw/zinc/80/32/63/385803263.db2.gz ITEFCHDMIYPPTB-SECBINFHSA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCCC)cc1 ZINC000116927469 370854475 /nfs/dbraw/zinc/85/44/75/370854475.db2.gz JKAUCZYJJYWCTH-ZDUSSCGKSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCCC)cc1 ZINC000116927471 370854525 /nfs/dbraw/zinc/85/45/25/370854525.db2.gz JKAUCZYJJYWCTH-CYBMUJFWSA-N 1 0 233.355 3.530 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000117565621 342814341 /nfs/dbraw/zinc/81/43/41/342814341.db2.gz YRVWRVXLHNSXNP-UHFFFAOYSA-N 1 0 225.335 3.848 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000117871151 342978893 /nfs/dbraw/zinc/97/88/93/342978893.db2.gz IRBUWHPUDMLXTF-ZDUSSCGKSA-N 1 0 203.329 3.646 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000117871154 370978872 /nfs/dbraw/zinc/97/88/72/370978872.db2.gz IRBUWHPUDMLXTF-CYBMUJFWSA-N 1 0 203.329 3.646 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000117871363 350219987 /nfs/dbraw/zinc/21/99/87/350219987.db2.gz ANWUYBPLOJLWLD-UHFFFAOYSA-N 1 0 246.379 3.694 20 30 BHEDRO C=CCCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000117871463 134221981 /nfs/dbraw/zinc/22/19/81/134221981.db2.gz LJDZZBXXEHJRPX-UHFFFAOYSA-N 1 0 245.322 3.841 20 30 BHEDRO C=CCCC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000117871812 388092080 /nfs/dbraw/zinc/09/20/80/388092080.db2.gz GIICXPXCEYGNSP-MRXNPFEDSA-N 1 0 245.366 3.702 20 30 BHEDRO C=CCCC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000117871814 322834860 /nfs/dbraw/zinc/83/48/60/322834860.db2.gz GIICXPXCEYGNSP-INIZCTEOSA-N 1 0 245.366 3.702 20 30 BHEDRO C=CCCC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000117872087 323901970 /nfs/dbraw/zinc/90/19/70/323901970.db2.gz WQDYFZONJHZDEV-UHFFFAOYSA-N 1 0 245.366 3.538 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000117872294 370978813 /nfs/dbraw/zinc/97/88/13/370978813.db2.gz AVXLKFLEUNZFDB-ZDUSSCGKSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000117872296 370978707 /nfs/dbraw/zinc/97/87/07/370978707.db2.gz AVXLKFLEUNZFDB-CYBMUJFWSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CCCC[N@H+](Cc1cccs1)C1CC1 ZINC000117872493 134221756 /nfs/dbraw/zinc/22/17/56/134221756.db2.gz CTTIRECMWBIECA-UHFFFAOYSA-N 1 0 221.369 3.679 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000117873267 350223997 /nfs/dbraw/zinc/22/39/97/350223997.db2.gz AHKLXZZTCXBYQD-CYBMUJFWSA-N 1 0 221.369 3.851 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000117873270 344758959 /nfs/dbraw/zinc/75/89/59/344758959.db2.gz AHKLXZZTCXBYQD-ZDUSSCGKSA-N 1 0 221.369 3.851 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000117873484 370980030 /nfs/dbraw/zinc/98/00/30/370980030.db2.gz BEZYCIUCSRDNTQ-NSHDSACASA-N 1 0 209.358 3.707 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000117873486 370980121 /nfs/dbraw/zinc/98/01/21/370980121.db2.gz BEZYCIUCSRDNTQ-LLVKDONJSA-N 1 0 209.358 3.707 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000117873493 370980298 /nfs/dbraw/zinc/98/02/98/370980298.db2.gz MQVXZVVLFCFEDD-AWEZNQCLSA-N 1 0 242.366 3.907 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000117873496 370980376 /nfs/dbraw/zinc/98/03/76/370980376.db2.gz MQVXZVVLFCFEDD-CQSZACIVSA-N 1 0 242.366 3.907 20 30 BHEDRO C=CCCC[N@H+](CC=C)Cc1cccc(C#N)c1 ZINC000117875126 388091954 /nfs/dbraw/zinc/09/19/54/388091954.db2.gz RVEWUJPZRORIOJ-UHFFFAOYSA-N 1 0 240.350 3.512 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000117875168 350224739 /nfs/dbraw/zinc/22/47/39/350224739.db2.gz IXGJYDOZLNTGGM-ZDUSSCGKSA-N 1 0 228.339 3.517 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000117875170 350224753 /nfs/dbraw/zinc/22/47/53/350224753.db2.gz IXGJYDOZLNTGGM-CYBMUJFWSA-N 1 0 228.339 3.517 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000117875208 388092582 /nfs/dbraw/zinc/09/25/82/388092582.db2.gz IUUGYFGPWBYIMS-ZDUSSCGKSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000117875210 388092206 /nfs/dbraw/zinc/09/22/06/388092206.db2.gz IUUGYFGPWBYIMS-CYBMUJFWSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CCCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000117875228 370979992 /nfs/dbraw/zinc/97/99/92/370979992.db2.gz PURCEWBIDRLLCY-UHFFFAOYSA-N 1 0 242.366 3.735 20 30 BHEDRO C=CCCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000117875844 370979874 /nfs/dbraw/zinc/97/98/74/370979874.db2.gz NZHSINGVXZQAOB-UHFFFAOYSA-N 1 0 245.366 3.570 20 30 BHEDRO C=CCCC[N@@H+](CCC)Cc1ccccc1O ZINC000117877098 589136657 /nfs/dbraw/zinc/13/66/57/589136657.db2.gz AWNFEPYYMGYPEJ-UHFFFAOYSA-N 1 0 233.355 3.570 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000117879116 589136664 /nfs/dbraw/zinc/13/66/64/589136664.db2.gz PXMQGDRUQMAZNE-UHFFFAOYSA-N 1 0 221.319 3.617 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000117881150 344759563 /nfs/dbraw/zinc/75/95/63/344759563.db2.gz NCMUTYVFFQBWPU-LLVKDONJSA-N 1 0 238.400 3.719 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000117881152 384609778 /nfs/dbraw/zinc/60/97/78/384609778.db2.gz NCMUTYVFFQBWPU-NSHDSACASA-N 1 0 238.400 3.719 20 30 BHEDRO N#CCCCC[N@H+]1CC=C(c2cccs2)CC1 ZINC000117896574 134221674 /nfs/dbraw/zinc/22/16/74/134221674.db2.gz XWABNDFGJFDERV-UHFFFAOYSA-N 1 0 246.379 3.531 20 30 BHEDRO Cc1cccc([C@@H]2CCCCC[N@@H+]2CCC#N)c1 ZINC000117897962 134222018 /nfs/dbraw/zinc/22/20/18/134222018.db2.gz ZWGKBYPAWJXVRX-INIZCTEOSA-N 1 0 242.366 3.826 20 30 BHEDRO Cc1cccc([C@H]2CCCCC[N@@H+]2CCC#N)c1 ZINC000117897964 134222031 /nfs/dbraw/zinc/22/20/31/134222031.db2.gz ZWGKBYPAWJXVRX-MRXNPFEDSA-N 1 0 242.366 3.826 20 30 BHEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000118363538 368969840 /nfs/dbraw/zinc/96/98/40/368969840.db2.gz DNJPICJYOAPSBN-AVVWSFFYSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000118363541 371014805 /nfs/dbraw/zinc/01/48/05/371014805.db2.gz DNJPICJYOAPSBN-BCLQGDPASA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000118390312 345490241 /nfs/dbraw/zinc/49/02/41/345490241.db2.gz AXGHDBGWHKLVRX-MJBXVCDLSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000118390318 345491424 /nfs/dbraw/zinc/49/14/24/345491424.db2.gz AXGHDBGWHKLVRX-MCIONIFRSA-N 1 0 242.366 3.597 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118393001 345522732 /nfs/dbraw/zinc/52/27/32/345522732.db2.gz LKNPWPFXGUSAQJ-UONOGXRCSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118393005 345522563 /nfs/dbraw/zinc/52/25/63/345522563.db2.gz LKNPWPFXGUSAQJ-KBPBESRZSA-N 1 0 242.366 3.741 20 30 BHEDRO CCC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393890 371016524 /nfs/dbraw/zinc/01/65/24/371016524.db2.gz KZZJTKPSFVEDKO-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO CCC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393893 345527058 /nfs/dbraw/zinc/52/70/58/345527058.db2.gz KZZJTKPSFVEDKO-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000118394862 176013183 /nfs/dbraw/zinc/01/31/83/176013183.db2.gz NUZOXTMOOVVKDL-KGLIPLIRSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000118394865 177103710 /nfs/dbraw/zinc/10/37/10/177103710.db2.gz NUZOXTMOOVVKDL-KBPBESRZSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1 ZINC000118398687 176012734 /nfs/dbraw/zinc/01/27/34/176012734.db2.gz VDDNLWVHVMWQFJ-ZDUSSCGKSA-N 1 0 248.329 3.635 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1 ZINC000118398691 177032936 /nfs/dbraw/zinc/03/29/36/177032936.db2.gz VDDNLWVHVMWQFJ-CYBMUJFWSA-N 1 0 248.329 3.635 20 30 BHEDRO C=CC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118399352 534532286 /nfs/dbraw/zinc/53/22/86/534532286.db2.gz SLHBYPMFWFUVTP-ZDUSSCGKSA-N 1 0 240.350 3.517 20 30 BHEDRO C=CC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118399355 534532034 /nfs/dbraw/zinc/53/20/34/534532034.db2.gz SLHBYPMFWFUVTP-CYBMUJFWSA-N 1 0 240.350 3.517 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC(C)(C)C1 ZINC000118399726 388730278 /nfs/dbraw/zinc/73/02/78/388730278.db2.gz ZEGNPAMILOSERF-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCC(C)(C)C1 ZINC000118399729 388729566 /nfs/dbraw/zinc/72/95/66/388729566.db2.gz ZEGNPAMILOSERF-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000118474313 589174409 /nfs/dbraw/zinc/17/44/09/589174409.db2.gz HARJNPLDNQXSHN-NSHDSACASA-N 1 0 238.375 3.912 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1c(C)noc1C ZINC000118474318 589174321 /nfs/dbraw/zinc/17/43/21/589174321.db2.gz HARJNPLDNQXSHN-LLVKDONJSA-N 1 0 238.375 3.912 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)C(C)(C)c1ccccc1 ZINC000118955432 384221148 /nfs/dbraw/zinc/22/11/48/384221148.db2.gz UHIMCPYPARJXOZ-AWEZNQCLSA-N 1 0 244.382 3.636 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)C(C)(C)c1ccccc1 ZINC000118955547 384219449 /nfs/dbraw/zinc/21/94/49/384219449.db2.gz UHIMCPYPARJXOZ-CQSZACIVSA-N 1 0 244.382 3.636 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000118966729 358459640 /nfs/dbraw/zinc/45/96/40/358459640.db2.gz RVGJFKNQEMNOQG-HOTGVXAUSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000118966802 134601913 /nfs/dbraw/zinc/60/19/13/134601913.db2.gz RVGJFKNQEMNOQG-CVEARBPZSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000118966941 384220641 /nfs/dbraw/zinc/22/06/41/384220641.db2.gz RVGJFKNQEMNOQG-JKSUJKDBSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000118967038 358459508 /nfs/dbraw/zinc/45/95/08/358459508.db2.gz RVGJFKNQEMNOQG-HZPDHXFCSA-N 1 0 242.366 3.606 20 30 BHEDRO C=CCCC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119131578 411261575 /nfs/dbraw/zinc/26/15/75/411261575.db2.gz YYJZGIYCBBEBJI-LBPRGKRZSA-N 1 0 219.328 3.771 20 30 BHEDRO C=CCCC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119131684 411261494 /nfs/dbraw/zinc/26/14/94/411261494.db2.gz YYJZGIYCBBEBJI-GFCCVEGCSA-N 1 0 219.328 3.771 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CCC)CCC=C ZINC000119147474 589245364 /nfs/dbraw/zinc/24/53/64/589245364.db2.gz PRBSKTYKJXFDMY-AWEZNQCLSA-N 1 0 207.361 3.514 20 30 BHEDRO C#CCCCC[NH2+][C@H](CCC)CCC=C ZINC000119147641 589245369 /nfs/dbraw/zinc/24/53/69/589245369.db2.gz PRBSKTYKJXFDMY-CQSZACIVSA-N 1 0 207.361 3.514 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000119260179 323916234 /nfs/dbraw/zinc/91/62/34/323916234.db2.gz PKCGHBCSRMGIEU-VIFPVBQESA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000119260286 384818676 /nfs/dbraw/zinc/81/86/76/384818676.db2.gz PKCGHBCSRMGIEU-SECBINFHSA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cccn1CCC(C)C ZINC000119309722 343695567 /nfs/dbraw/zinc/69/55/67/343695567.db2.gz QPYMMBPVLAYNHP-AWEZNQCLSA-N 1 0 234.387 3.588 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cccn1CCC(C)C ZINC000119309855 343695387 /nfs/dbraw/zinc/69/53/87/343695387.db2.gz QPYMMBPVLAYNHP-CQSZACIVSA-N 1 0 234.387 3.588 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000119316748 385070482 /nfs/dbraw/zinc/07/04/82/385070482.db2.gz XWFHCGDGSFUYFU-WCBMZHEXSA-N 1 0 209.358 3.590 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000119316859 385070107 /nfs/dbraw/zinc/07/01/07/385070107.db2.gz XWFHCGDGSFUYFU-WPRPVWTQSA-N 1 0 209.358 3.590 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000119316956 534512406 /nfs/dbraw/zinc/51/24/06/534512406.db2.gz XWFHCGDGSFUYFU-PSASIEDQSA-N 1 0 209.358 3.590 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000119317090 385070402 /nfs/dbraw/zinc/07/04/02/385070402.db2.gz XWFHCGDGSFUYFU-SCZZXKLOSA-N 1 0 209.358 3.590 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000119317709 534669544 /nfs/dbraw/zinc/66/95/44/534669544.db2.gz SHMBQMROAPTXLQ-WFASDCNBSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000119317855 134226194 /nfs/dbraw/zinc/22/61/94/134226194.db2.gz SHMBQMROAPTXLQ-SWLSCSKDSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000119317968 534511433 /nfs/dbraw/zinc/51/14/33/534511433.db2.gz SHMBQMROAPTXLQ-DOMZBBRYSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000119318045 534511458 /nfs/dbraw/zinc/51/14/58/534511458.db2.gz SHMBQMROAPTXLQ-IUODEOHRSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000119318156 323920358 /nfs/dbraw/zinc/92/03/58/323920358.db2.gz PRPBAZQXDKAJBC-UWVGGRQHSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000119318291 388113362 /nfs/dbraw/zinc/11/33/62/388113362.db2.gz PRPBAZQXDKAJBC-ZJUUUORDSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000119318369 323920262 /nfs/dbraw/zinc/92/02/62/323920262.db2.gz PRPBAZQXDKAJBC-VHSXEESVSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000119318465 388112924 /nfs/dbraw/zinc/11/29/24/388112924.db2.gz PRPBAZQXDKAJBC-NXEZZACHSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000119320824 134225926 /nfs/dbraw/zinc/22/59/26/134225926.db2.gz ITVUFYJRCBZETI-VHSXEESVSA-N 1 0 238.400 3.800 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000119320939 534668820 /nfs/dbraw/zinc/66/88/20/534668820.db2.gz ITVUFYJRCBZETI-UWVGGRQHSA-N 1 0 238.400 3.800 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000119321082 534512884 /nfs/dbraw/zinc/51/28/84/534512884.db2.gz ITVUFYJRCBZETI-NXEZZACHSA-N 1 0 238.400 3.800 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000119321213 534512565 /nfs/dbraw/zinc/51/25/65/534512565.db2.gz ITVUFYJRCBZETI-ZJUUUORDSA-N 1 0 238.400 3.800 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000119325645 384818825 /nfs/dbraw/zinc/81/88/25/384818825.db2.gz BSWCQIWZTHSCCQ-IUCAKERBSA-N 1 0 227.710 3.704 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000119325788 323921032 /nfs/dbraw/zinc/92/10/32/323921032.db2.gz BSWCQIWZTHSCCQ-BDAKNGLRSA-N 1 0 227.710 3.704 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119325849 385622348 /nfs/dbraw/zinc/62/23/48/385622348.db2.gz NATNTYMAONGLPN-UONOGXRCSA-N 1 0 239.403 3.669 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000119325941 384820256 /nfs/dbraw/zinc/82/02/56/384820256.db2.gz BSWCQIWZTHSCCQ-DTWKUNHWSA-N 1 0 227.710 3.704 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119325982 348208405 /nfs/dbraw/zinc/20/84/05/348208405.db2.gz NATNTYMAONGLPN-ZIAGYGMSSA-N 1 0 239.403 3.669 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000119326067 384817864 /nfs/dbraw/zinc/81/78/64/384817864.db2.gz BSWCQIWZTHSCCQ-RKDXNWHRSA-N 1 0 227.710 3.704 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119326130 348204179 /nfs/dbraw/zinc/20/41/79/348204179.db2.gz NATNTYMAONGLPN-KBPBESRZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119326238 348204518 /nfs/dbraw/zinc/20/45/18/348204518.db2.gz NATNTYMAONGLPN-KGLIPLIRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000119327184 487538924 /nfs/dbraw/zinc/53/89/24/487538924.db2.gz BEEAGIVCFZHYSC-UWVGGRQHSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000119327327 487538943 /nfs/dbraw/zinc/53/89/43/487538943.db2.gz BEEAGIVCFZHYSC-ZJUUUORDSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000119327439 487538871 /nfs/dbraw/zinc/53/88/71/487538871.db2.gz BEEAGIVCFZHYSC-VHSXEESVSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000119327550 487539654 /nfs/dbraw/zinc/53/96/54/487539654.db2.gz BEEAGIVCFZHYSC-NXEZZACHSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000119329653 388112756 /nfs/dbraw/zinc/11/27/56/388112756.db2.gz IZMSWYUHKOLNGP-UWVGGRQHSA-N 1 0 239.359 3.773 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000119329778 388112724 /nfs/dbraw/zinc/11/27/24/388112724.db2.gz IZMSWYUHKOLNGP-ZJUUUORDSA-N 1 0 239.359 3.773 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000119329906 323921007 /nfs/dbraw/zinc/92/10/07/323921007.db2.gz IZMSWYUHKOLNGP-VHSXEESVSA-N 1 0 239.359 3.773 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000119330006 388112800 /nfs/dbraw/zinc/11/28/00/388112800.db2.gz IZMSWYUHKOLNGP-NXEZZACHSA-N 1 0 239.359 3.773 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000119330670 388112989 /nfs/dbraw/zinc/11/29/89/388112989.db2.gz XRGQOIQJIHJKCQ-QWHCGFSZSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000119330792 323920472 /nfs/dbraw/zinc/92/04/72/323920472.db2.gz XRGQOIQJIHJKCQ-STQMWFEESA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000119330926 323920308 /nfs/dbraw/zinc/92/03/08/323920308.db2.gz XRGQOIQJIHJKCQ-CHWSQXEVSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000119331073 323920303 /nfs/dbraw/zinc/92/03/03/323920303.db2.gz XRGQOIQJIHJKCQ-OLZOCXBDSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000119332267 388113424 /nfs/dbraw/zinc/11/34/24/388113424.db2.gz GEYRGLIKNKGGEB-UWVGGRQHSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000119332398 323087461 /nfs/dbraw/zinc/08/74/61/323087461.db2.gz GEYRGLIKNKGGEB-ZJUUUORDSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000119332512 388112942 /nfs/dbraw/zinc/11/29/42/388112942.db2.gz GEYRGLIKNKGGEB-VHSXEESVSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000119332636 388113253 /nfs/dbraw/zinc/11/32/53/388113253.db2.gz GEYRGLIKNKGGEB-NXEZZACHSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000119343622 534669425 /nfs/dbraw/zinc/66/94/25/534669425.db2.gz MIMPDYIYVIGUMB-ZANVPECISA-N 1 0 225.282 3.580 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000119343756 134226102 /nfs/dbraw/zinc/22/61/02/134226102.db2.gz MIMPDYIYVIGUMB-TVQRCGJNSA-N 1 0 225.282 3.580 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000119343859 534512682 /nfs/dbraw/zinc/51/26/82/534512682.db2.gz MIMPDYIYVIGUMB-RNCFNFMXSA-N 1 0 225.282 3.580 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000119344004 534512298 /nfs/dbraw/zinc/51/22/98/534512298.db2.gz MIMPDYIYVIGUMB-NOZJJQNGSA-N 1 0 225.282 3.580 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000119348090 323919241 /nfs/dbraw/zinc/91/92/41/323919241.db2.gz SPHMDPXNWIRKNR-UWVGGRQHSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000119348200 388113388 /nfs/dbraw/zinc/11/33/88/388113388.db2.gz SPHMDPXNWIRKNR-ZJUUUORDSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000119348312 388112984 /nfs/dbraw/zinc/11/29/84/388112984.db2.gz SPHMDPXNWIRKNR-VHSXEESVSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000119348401 323919870 /nfs/dbraw/zinc/91/98/70/323919870.db2.gz SPHMDPXNWIRKNR-NXEZZACHSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000119353371 388112791 /nfs/dbraw/zinc/11/27/91/388112791.db2.gz LOXIHRPFWXWGMY-UWVGGRQHSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000119353497 323919609 /nfs/dbraw/zinc/91/96/09/323919609.db2.gz LOXIHRPFWXWGMY-ZJUUUORDSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000119353642 323919685 /nfs/dbraw/zinc/91/96/85/323919685.db2.gz LOXIHRPFWXWGMY-VHSXEESVSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000119353738 388113011 /nfs/dbraw/zinc/11/30/11/388113011.db2.gz LOXIHRPFWXWGMY-NXEZZACHSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(CC)s1 ZINC000119366047 387131674 /nfs/dbraw/zinc/13/16/74/387131674.db2.gz KQAOSDPOOUEXQL-VHSXEESVSA-N 1 0 209.358 3.536 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000119366173 323922872 /nfs/dbraw/zinc/92/28/72/323922872.db2.gz KQAOSDPOOUEXQL-UWVGGRQHSA-N 1 0 209.358 3.536 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(CC)s1 ZINC000119366320 323922967 /nfs/dbraw/zinc/92/29/67/323922967.db2.gz KQAOSDPOOUEXQL-NXEZZACHSA-N 1 0 209.358 3.536 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000119366463 387130936 /nfs/dbraw/zinc/13/09/36/387130936.db2.gz KQAOSDPOOUEXQL-ZJUUUORDSA-N 1 0 209.358 3.536 20 30 BHEDRO CC(C)[N@H+](CCC(C)(C)C#N)C1CCCC1 ZINC000119621908 387141439 /nfs/dbraw/zinc/14/14/39/387141439.db2.gz DGFNXMFCNDPUKG-UHFFFAOYSA-N 1 0 222.376 3.579 20 30 BHEDRO CCCCCCC[N@H+](C(C)C)C1CCOCC1 ZINC000119652391 589321907 /nfs/dbraw/zinc/32/19/07/589321907.db2.gz PGDSPIBQGXDXFG-UHFFFAOYSA-N 1 0 241.419 3.846 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000119654477 411264541 /nfs/dbraw/zinc/26/45/41/411264541.db2.gz DCZYYOQDQKZXPP-UHFFFAOYSA-N 1 0 243.306 3.738 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000119655871 398194293 /nfs/dbraw/zinc/19/42/93/398194293.db2.gz JGJIBPRWDAVORR-UHFFFAOYSA-N 1 0 227.307 3.612 20 30 BHEDRO C=C(C)C[NH2+]Cc1cc2ccccc2s1 ZINC000119665055 398194216 /nfs/dbraw/zinc/19/42/16/398194216.db2.gz MGNNOXYVUASLHR-UHFFFAOYSA-N 1 0 217.337 3.567 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000119667014 589322635 /nfs/dbraw/zinc/32/26/35/589322635.db2.gz JRBLJHYPDCHCNS-UHFFFAOYSA-N 1 0 243.322 3.667 20 30 BHEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000119696189 344859978 /nfs/dbraw/zinc/85/99/78/344859978.db2.gz KVXNZQQVPAQLLY-HIFRSBDPSA-N 1 0 242.366 3.619 20 30 BHEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000119696334 344859655 /nfs/dbraw/zinc/85/96/55/344859655.db2.gz KVXNZQQVPAQLLY-ZFWWWQNUSA-N 1 0 242.366 3.619 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC)cc1)C1CC1 ZINC000119798855 387146714 /nfs/dbraw/zinc/14/67/14/387146714.db2.gz KNFIXLIMWYYVFI-INIZCTEOSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC)cc1)C1CC1 ZINC000119798995 387146947 /nfs/dbraw/zinc/14/69/47/387146947.db2.gz KNFIXLIMWYYVFI-MRXNPFEDSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccccc1)C1CC1 ZINC000119819842 323934290 /nfs/dbraw/zinc/93/42/90/323934290.db2.gz HYUYXXKHZRXSOP-HNNXBMFYSA-N 1 0 215.340 3.521 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1)C1CC1 ZINC000119820024 387144845 /nfs/dbraw/zinc/14/48/45/387144845.db2.gz HYUYXXKHZRXSOP-OAHLLOKOSA-N 1 0 215.340 3.521 20 30 BHEDRO C=CCC[C@H]([NH2+]C1CCCCC1)C1CC1 ZINC000119820174 323934252 /nfs/dbraw/zinc/93/42/52/323934252.db2.gz MZYVIMJDIZQUTL-AWEZNQCLSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@@H]([NH2+]C1CCCCC1)C1CC1 ZINC000119820296 323934941 /nfs/dbraw/zinc/93/49/41/323934941.db2.gz MZYVIMJDIZQUTL-CQSZACIVSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1ccccc1)C1CC1 ZINC000119820688 323934541 /nfs/dbraw/zinc/93/45/41/323934541.db2.gz DWFZGEDIISDXBW-INIZCTEOSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1ccccc1)C1CC1 ZINC000119820849 323934836 /nfs/dbraw/zinc/93/48/36/323934836.db2.gz DWFZGEDIISDXBW-MRXNPFEDSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1cccs1)C1CC1 ZINC000119850557 359988398 /nfs/dbraw/zinc/98/83/98/359988398.db2.gz VJHPCRZFIXPFAR-AWEZNQCLSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1cccs1)C1CC1 ZINC000119850703 359988588 /nfs/dbraw/zinc/98/85/88/359988588.db2.gz VJHPCRZFIXPFAR-CQSZACIVSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1cccs1)C1CC1 ZINC000119857026 359988470 /nfs/dbraw/zinc/98/84/70/359988470.db2.gz FHQBOAHUIDCIOZ-ZDUSSCGKSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1cccs1)C1CC1 ZINC000119857198 359988604 /nfs/dbraw/zinc/98/86/04/359988604.db2.gz FHQBOAHUIDCIOZ-CYBMUJFWSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1cccc(OC)c1)C1CC1 ZINC000119880351 360000112 /nfs/dbraw/zinc/00/01/12/360000112.db2.gz SHAOOVACCNMBIA-INIZCTEOSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1cccc(OC)c1)C1CC1 ZINC000119880506 360000157 /nfs/dbraw/zinc/00/01/57/360000157.db2.gz SHAOOVACCNMBIA-MRXNPFEDSA-N 1 0 245.366 3.530 20 30 BHEDRO CC1CCC([N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000119883796 168159047 /nfs/dbraw/zinc/15/90/47/168159047.db2.gz VCWZHRSVZLDROI-UHFFFAOYSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000119895809 344869473 /nfs/dbraw/zinc/86/94/73/344869473.db2.gz VMWXNNURIUMSKW-CYBMUJFWSA-N 1 0 248.395 3.825 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000119895979 344869558 /nfs/dbraw/zinc/86/95/58/344869558.db2.gz VMWXNNURIUMSKW-ZDUSSCGKSA-N 1 0 248.395 3.825 20 30 BHEDRO C[C@@H](c1ccco1)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000119897713 176031333 /nfs/dbraw/zinc/03/13/33/176031333.db2.gz IXCGBZQAQDZNSX-LBPRGKRZSA-N 1 0 246.354 3.745 20 30 BHEDRO C[C@H](c1ccco1)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000119897861 177047909 /nfs/dbraw/zinc/04/79/09/177047909.db2.gz IXCGBZQAQDZNSX-GFCCVEGCSA-N 1 0 246.354 3.745 20 30 BHEDRO CC[N@H+](CCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1C ZINC000120056203 343107294 /nfs/dbraw/zinc/10/72/94/343107294.db2.gz BSCCZHHWLKAMHM-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[N@H+](CCC(C)(C)C#N)[C@H]1CCCC[C@@H]1C ZINC000120056378 343107511 /nfs/dbraw/zinc/10/75/11/343107511.db2.gz BSCCZHHWLKAMHM-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO N#CCCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000120085692 344876140 /nfs/dbraw/zinc/87/61/40/344876140.db2.gz YKDQZBOSBMNEHK-UHFFFAOYSA-N 1 0 246.354 3.718 20 30 BHEDRO CC[N@H+](CCCCC#N)[C@@H]1CCCC[C@@H]1C ZINC000120092535 387178421 /nfs/dbraw/zinc/17/84/21/387178421.db2.gz DCTLLRKQFDRMRS-UONOGXRCSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[N@H+](CCCCC#N)[C@H]1CCCC[C@@H]1C ZINC000120092707 344877112 /nfs/dbraw/zinc/87/71/12/344877112.db2.gz DCTLLRKQFDRMRS-KBPBESRZSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H]([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000120261136 385274700 /nfs/dbraw/zinc/27/47/00/385274700.db2.gz XOSMQALXEKVUKC-ZDUSSCGKSA-N 1 0 236.746 3.684 20 30 BHEDRO CC[C@@H]([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000120261266 385274837 /nfs/dbraw/zinc/27/48/37/385274837.db2.gz XOSMQALXEKVUKC-CYBMUJFWSA-N 1 0 236.746 3.684 20 30 BHEDRO Cc1ccc(C[N@H+](CCCC#N)C2CC2)cc1C ZINC000120461154 134229544 /nfs/dbraw/zinc/22/95/44/134229544.db2.gz XJCJEGDWAXUNIG-UHFFFAOYSA-N 1 0 242.366 3.572 20 30 BHEDRO C[N@H+](Cc1ccsc1)CC(C)(C)CCC#N ZINC000120495482 350882397 /nfs/dbraw/zinc/88/23/97/350882397.db2.gz WWDVMZLVJUCIRA-UHFFFAOYSA-N 1 0 236.384 3.510 20 30 BHEDRO CCCCCCC[N@H+](C)CCC1CCOCC1 ZINC000120547193 589434426 /nfs/dbraw/zinc/43/44/26/589434426.db2.gz ZTNCEEFTEKMSEE-UHFFFAOYSA-N 1 0 241.419 3.705 20 30 BHEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCCC#N ZINC000120614430 535773193 /nfs/dbraw/zinc/77/31/93/535773193.db2.gz SFMMNJXJIKXVSP-INIZCTEOSA-N 1 0 244.382 3.633 20 30 BHEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCCC#N ZINC000120614588 134229823 /nfs/dbraw/zinc/22/98/23/134229823.db2.gz SFMMNJXJIKXVSP-MRXNPFEDSA-N 1 0 244.382 3.633 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000120720932 347406381 /nfs/dbraw/zinc/40/63/81/347406381.db2.gz VJURMIGIUQQXLZ-LLVKDONJSA-N 1 0 238.400 3.883 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000120721052 347406527 /nfs/dbraw/zinc/40/65/27/347406527.db2.gz VJURMIGIUQQXLZ-NSHDSACASA-N 1 0 238.400 3.883 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)C#N ZINC000120725464 343130563 /nfs/dbraw/zinc/13/05/63/343130563.db2.gz YQNAOWJVWXCKMB-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)C#N ZINC000120725638 343130365 /nfs/dbraw/zinc/13/03/65/343130365.db2.gz YQNAOWJVWXCKMB-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)C#N ZINC000120725779 343130594 /nfs/dbraw/zinc/13/05/94/343130594.db2.gz YQNAOWJVWXCKMB-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)C#N ZINC000120725919 343130558 /nfs/dbraw/zinc/13/05/58/343130558.db2.gz YQNAOWJVWXCKMB-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCCCC#N ZINC000120746467 387193776 /nfs/dbraw/zinc/19/37/76/387193776.db2.gz OQXRUEKESIQJOS-HNNXBMFYSA-N 1 0 236.403 3.971 20 30 BHEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCCCC#N ZINC000120746601 387194861 /nfs/dbraw/zinc/19/48/61/387194861.db2.gz OQXRUEKESIQJOS-OAHLLOKOSA-N 1 0 236.403 3.971 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCC#N ZINC000120789861 387195937 /nfs/dbraw/zinc/19/59/37/387195937.db2.gz NBQFJVMLRGJANX-KGLIPLIRSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCCC#N ZINC000120790035 387197381 /nfs/dbraw/zinc/19/73/81/387197381.db2.gz NBQFJVMLRGJANX-KBPBESRZSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCCC#N ZINC000120790199 387197154 /nfs/dbraw/zinc/19/71/54/387197154.db2.gz NBQFJVMLRGJANX-ZIAGYGMSSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCCCC#N ZINC000120790321 387197141 /nfs/dbraw/zinc/19/71/41/387197141.db2.gz NBQFJVMLRGJANX-UONOGXRCSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000120840856 343135188 /nfs/dbraw/zinc/13/51/88/343135188.db2.gz HNDJWIWWANECLP-OLZOCXBDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000120841013 343135288 /nfs/dbraw/zinc/13/52/88/343135288.db2.gz HNDJWIWWANECLP-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000120841142 343135054 /nfs/dbraw/zinc/13/50/54/343135054.db2.gz HNDJWIWWANECLP-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000120841264 343135649 /nfs/dbraw/zinc/13/56/49/343135649.db2.gz HNDJWIWWANECLP-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000120902415 398201308 /nfs/dbraw/zinc/20/13/08/398201308.db2.gz KPAVCMKMIARLKU-NSHDSACASA-N 1 0 221.369 3.635 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000120902563 398201301 /nfs/dbraw/zinc/20/13/01/398201301.db2.gz KPAVCMKMIARLKU-LLVKDONJSA-N 1 0 221.369 3.635 20 30 BHEDRO C=CCCC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000120942504 135220194 /nfs/dbraw/zinc/22/01/94/135220194.db2.gz RYJWPRUYWMLGDY-CQSZACIVSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CCCC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000120942629 344906024 /nfs/dbraw/zinc/90/60/24/344906024.db2.gz RYJWPRUYWMLGDY-AWEZNQCLSA-N 1 0 232.371 3.643 20 30 BHEDRO CCC[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000120961776 398201513 /nfs/dbraw/zinc/20/15/13/398201513.db2.gz IZRUTIVWUHOQDL-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000120961934 398201416 /nfs/dbraw/zinc/20/14/16/398201416.db2.gz IZRUTIVWUHOQDL-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120972760 344906592 /nfs/dbraw/zinc/90/65/92/344906592.db2.gz GSFAKVJSTMABGF-LLVKDONJSA-N 1 0 238.400 3.754 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120972918 534816457 /nfs/dbraw/zinc/81/64/57/534816457.db2.gz GSFAKVJSTMABGF-NSHDSACASA-N 1 0 238.400 3.754 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CC1 ZINC000120989479 490072415 /nfs/dbraw/zinc/07/24/15/490072415.db2.gz LRLXBZBEVPVOQH-RDJZCZTQSA-N 1 0 241.378 3.661 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CC1 ZINC000120989638 490072762 /nfs/dbraw/zinc/07/27/62/490072762.db2.gz LRLXBZBEVPVOQH-DOTOQJQBSA-N 1 0 241.378 3.661 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1Cc2ccccc21)C1CC1 ZINC000120989786 490072305 /nfs/dbraw/zinc/07/23/05/490072305.db2.gz LRLXBZBEVPVOQH-WBVHZDCISA-N 1 0 241.378 3.661 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H]1Cc2ccccc21)C1CC1 ZINC000120989952 490072410 /nfs/dbraw/zinc/07/24/10/490072410.db2.gz LRLXBZBEVPVOQH-NVXWUHKLSA-N 1 0 241.378 3.661 20 30 BHEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)C(C)C ZINC000121033879 355202851 /nfs/dbraw/zinc/20/28/51/355202851.db2.gz KGJCIKVRBKSGET-LBPRGKRZSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)C(C)C ZINC000121034042 355206581 /nfs/dbraw/zinc/20/65/81/355206581.db2.gz KGJCIKVRBKSGET-GFCCVEGCSA-N 1 0 248.345 3.564 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cccc2cccnc21 ZINC000121060889 534708745 /nfs/dbraw/zinc/70/87/45/534708745.db2.gz OYGLTNQZQQPAJJ-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CC[N@@H+](C)Cc1cc2ccccc2s1 ZINC000121227765 324006409 /nfs/dbraw/zinc/00/64/09/324006409.db2.gz VJIUSSSAZCPHMB-UHFFFAOYSA-N 1 0 217.337 3.519 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000121311052 324010541 /nfs/dbraw/zinc/01/05/41/324010541.db2.gz XOXJNPVIUNXGEH-VIFPVBQESA-N 1 0 227.710 3.658 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000121311199 324010330 /nfs/dbraw/zinc/01/03/30/324010330.db2.gz XOXJNPVIUNXGEH-SECBINFHSA-N 1 0 227.710 3.658 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1F ZINC000121384352 324009669 /nfs/dbraw/zinc/00/96/69/324009669.db2.gz UMBXZTWPINAURE-ZDUSSCGKSA-N 1 0 225.282 3.534 20 30 BHEDRO C=CC[N@@H+](C)[C@H](CC)c1ccc(F)cc1F ZINC000121384517 324010102 /nfs/dbraw/zinc/01/01/02/324010102.db2.gz UMBXZTWPINAURE-CYBMUJFWSA-N 1 0 225.282 3.534 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000121413552 324011220 /nfs/dbraw/zinc/01/12/20/324011220.db2.gz DJNBICOVDHKGEW-UHFFFAOYSA-N 1 0 246.741 3.506 20 30 BHEDRO C=CC[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000121486839 324014498 /nfs/dbraw/zinc/01/44/98/324014498.db2.gz YNCFMEMQGFGWJB-UHFFFAOYSA-N 1 0 246.741 3.506 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000121517850 324014822 /nfs/dbraw/zinc/01/48/22/324014822.db2.gz BJTWUPQRJHQOGC-UHFFFAOYSA-N 1 0 248.345 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@]1(C)CCCS1)C1CC1 ZINC000121655274 324020184 /nfs/dbraw/zinc/02/01/84/324020184.db2.gz ZKKBIMLVOXGRJW-UONOGXRCSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@]1(C)CCCS1)C1CC1 ZINC000121655429 324020111 /nfs/dbraw/zinc/02/01/11/324020111.db2.gz ZKKBIMLVOXGRJW-KBPBESRZSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@]1(C)CCCS1)C1CC1 ZINC000121655592 324019665 /nfs/dbraw/zinc/01/96/65/324019665.db2.gz ZKKBIMLVOXGRJW-ZIAGYGMSSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@]1(C)CCCS1)C1CC1 ZINC000121655772 324020055 /nfs/dbraw/zinc/02/00/55/324020055.db2.gz ZKKBIMLVOXGRJW-KGLIPLIRSA-N 1 0 239.428 3.607 20 30 BHEDRO N#CCC[N@H+](CCCC1CCCC1)CC1CC1 ZINC000121678753 134234919 /nfs/dbraw/zinc/23/49/19/134234919.db2.gz YYHFQOQLIIGPIM-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122038500 384454057 /nfs/dbraw/zinc/45/40/57/384454057.db2.gz KUFPODMXBZXUPY-LLVKDONJSA-N 1 0 238.400 3.583 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000122038664 324027027 /nfs/dbraw/zinc/02/70/27/324027027.db2.gz INQHGAPZPLTSGD-STQMWFEESA-N 1 0 227.392 3.524 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122038713 135226479 /nfs/dbraw/zinc/22/64/79/135226479.db2.gz KUFPODMXBZXUPY-NSHDSACASA-N 1 0 238.400 3.583 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000122038868 324027011 /nfs/dbraw/zinc/02/70/11/324027011.db2.gz INQHGAPZPLTSGD-QWHCGFSZSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)CC(C)(C)OC ZINC000122039095 324027131 /nfs/dbraw/zinc/02/71/31/324027131.db2.gz INQHGAPZPLTSGD-OLZOCXBDSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)CC(C)(C)OC ZINC000122039262 324027829 /nfs/dbraw/zinc/02/78/29/324027829.db2.gz INQHGAPZPLTSGD-CHWSQXEVSA-N 1 0 227.392 3.524 20 30 BHEDRO C[N@H+](Cc1ccc(C#N)s1)C1CCCCCC1 ZINC000122066926 324026429 /nfs/dbraw/zinc/02/64/29/324026429.db2.gz KACKVYBCLWKFPG-UHFFFAOYSA-N 1 0 248.395 3.774 20 30 BHEDRO C[N@H+](Cc1cc(C#N)cs1)C1CCCCCC1 ZINC000122068825 324025840 /nfs/dbraw/zinc/02/58/40/324025840.db2.gz LHPFBAMTPTUPEO-UHFFFAOYSA-N 1 0 248.395 3.774 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122074226 534770008 /nfs/dbraw/zinc/77/00/08/534770008.db2.gz SGMAAWPUDADZQU-LLVKDONJSA-N 1 0 238.400 3.583 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122074453 534770593 /nfs/dbraw/zinc/77/05/93/534770593.db2.gz SGMAAWPUDADZQU-NSHDSACASA-N 1 0 238.400 3.583 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000122156739 324032102 /nfs/dbraw/zinc/03/21/02/324032102.db2.gz YENXHKDBBMCATQ-VIFPVBQESA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000122156955 324032370 /nfs/dbraw/zinc/03/23/70/324032370.db2.gz YENXHKDBBMCATQ-SECBINFHSA-N 1 0 227.710 3.533 20 30 BHEDRO CSc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000122215831 633104455 /nfs/dbraw/zinc/10/44/55/633104455.db2.gz DPDDFDTZNVKRKD-NSHDSACASA-N 1 0 248.395 3.609 20 30 BHEDRO CSc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000122216060 633104763 /nfs/dbraw/zinc/10/47/63/633104763.db2.gz DPDDFDTZNVKRKD-LLVKDONJSA-N 1 0 248.395 3.609 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccon1 ZINC000122220907 589566201 /nfs/dbraw/zinc/56/62/01/589566201.db2.gz ZJKNXRVGFJOESN-GFCCVEGCSA-N 1 0 224.348 3.513 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccon1 ZINC000122221170 589566183 /nfs/dbraw/zinc/56/61/83/589566183.db2.gz ZJKNXRVGFJOESN-LBPRGKRZSA-N 1 0 224.348 3.513 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1C ZINC000122228604 633120866 /nfs/dbraw/zinc/12/08/66/633120866.db2.gz QGULXPXGVMBCOJ-CYBMUJFWSA-N 1 0 230.355 3.504 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1C ZINC000122228824 633121441 /nfs/dbraw/zinc/12/14/41/633121441.db2.gz QGULXPXGVMBCOJ-ZDUSSCGKSA-N 1 0 230.355 3.504 20 30 BHEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000122229554 633122335 /nfs/dbraw/zinc/12/23/35/633122335.db2.gz PZWPIXHCDOIZIE-CYBMUJFWSA-N 1 0 230.355 3.504 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000122229748 633121230 /nfs/dbraw/zinc/12/12/30/633121230.db2.gz PZWPIXHCDOIZIE-ZDUSSCGKSA-N 1 0 230.355 3.504 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000122261168 711684836 /nfs/dbraw/zinc/68/48/36/711684836.db2.gz NQCNCYZBYQTJHT-OAHLLOKOSA-N 1 0 242.366 3.593 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000122261386 711684800 /nfs/dbraw/zinc/68/48/00/711684800.db2.gz NQCNCYZBYQTJHT-HNNXBMFYSA-N 1 0 242.366 3.593 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)c(C)c1 ZINC000122276616 711686427 /nfs/dbraw/zinc/68/64/27/711686427.db2.gz NLKILOVHQWAYDW-ZDUSSCGKSA-N 1 0 230.355 3.504 20 30 BHEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000122300781 633198739 /nfs/dbraw/zinc/19/87/39/633198739.db2.gz GMOUKJDVNPNHFU-CYBMUJFWSA-N 1 0 230.355 3.504 20 30 BHEDRO Cc1ccc(C)c([C@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000122300994 635923464 /nfs/dbraw/zinc/92/34/64/635923464.db2.gz GMOUKJDVNPNHFU-ZDUSSCGKSA-N 1 0 230.355 3.504 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C)cc1 ZINC000122301191 633200084 /nfs/dbraw/zinc/20/00/84/633200084.db2.gz SRCKPKUQDDDBRK-AWEZNQCLSA-N 1 0 230.355 3.586 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C)cc1 ZINC000122301428 633199460 /nfs/dbraw/zinc/19/94/60/633199460.db2.gz SRCKPKUQDDDBRK-CQSZACIVSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1ccc([C@H]([NH2+]CC(C)(C)C#N)C2CC2)cc1 ZINC000122302600 589577560 /nfs/dbraw/zinc/57/75/60/589577560.db2.gz PLPDLEUZKJQPGD-HNNXBMFYSA-N 1 0 242.366 3.586 20 30 BHEDRO Cc1ccc([C@@H]([NH2+]CC(C)(C)C#N)C2CC2)cc1 ZINC000122302823 589577259 /nfs/dbraw/zinc/57/72/59/589577259.db2.gz PLPDLEUZKJQPGD-OAHLLOKOSA-N 1 0 242.366 3.586 20 30 BHEDRO CCC[C@H]([NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000122310259 633208109 /nfs/dbraw/zinc/20/81/09/633208109.db2.gz RGFCNWBOUNMLQT-AWEZNQCLSA-N 1 0 230.355 3.667 20 30 BHEDRO CCC[C@@H]([NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000122310496 633207527 /nfs/dbraw/zinc/20/75/27/633207527.db2.gz RGFCNWBOUNMLQT-CQSZACIVSA-N 1 0 230.355 3.667 20 30 BHEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCC#N)c1C ZINC000122317184 134238565 /nfs/dbraw/zinc/23/85/65/134238565.db2.gz HGBJQYIZKFHTPH-INIZCTEOSA-N 1 0 242.366 3.744 20 30 BHEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCC#N)c1C ZINC000122317436 134238569 /nfs/dbraw/zinc/23/85/69/134238569.db2.gz HGBJQYIZKFHTPH-MRXNPFEDSA-N 1 0 242.366 3.744 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000122324024 633222803 /nfs/dbraw/zinc/22/28/03/633222803.db2.gz QTRMNVJYQBQZHT-DOMZBBRYSA-N 1 0 242.366 3.764 20 30 BHEDRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000122324243 633222904 /nfs/dbraw/zinc/22/29/04/633222904.db2.gz QTRMNVJYQBQZHT-WFASDCNBSA-N 1 0 242.366 3.764 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000122324482 633222166 /nfs/dbraw/zinc/22/21/66/633222166.db2.gz QTRMNVJYQBQZHT-IUODEOHRSA-N 1 0 242.366 3.764 20 30 BHEDRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000122324739 633222254 /nfs/dbraw/zinc/22/22/54/633222254.db2.gz QTRMNVJYQBQZHT-SWLSCSKDSA-N 1 0 242.366 3.764 20 30 BHEDRO C=C(C)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000122377737 324042768 /nfs/dbraw/zinc/04/27/68/324042768.db2.gz RDHGLBZEXXANKT-UHFFFAOYSA-N 1 0 217.356 3.564 20 30 BHEDRO C=C(Cl)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000122378680 589585169 /nfs/dbraw/zinc/58/51/69/589585169.db2.gz ODHPGDNOLXPOSV-UHFFFAOYSA-N 1 0 237.774 3.740 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000122515000 324047354 /nfs/dbraw/zinc/04/73/54/324047354.db2.gz JHEGDWKQTVTVFG-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000122516145 324047079 /nfs/dbraw/zinc/04/70/79/324047079.db2.gz GXKXFKXNAWCRAP-UHFFFAOYSA-N 1 0 246.741 3.554 20 30 BHEDRO C=C(C)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000122518145 324047341 /nfs/dbraw/zinc/04/73/41/324047341.db2.gz YBGSPQAMJKQQOG-UHFFFAOYSA-N 1 0 247.235 3.510 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000122519689 324047317 /nfs/dbraw/zinc/04/73/17/324047317.db2.gz SUCAJWKNUXCHAX-UHFFFAOYSA-N 1 0 245.297 3.751 20 30 BHEDRO C=C(C)C[NH2+]Cc1c(CC)oc2ccccc21 ZINC000122522206 324046862 /nfs/dbraw/zinc/04/68/62/324046862.db2.gz VKCGDAWEOBLCJN-UHFFFAOYSA-N 1 0 229.323 3.661 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000122536643 324046390 /nfs/dbraw/zinc/04/63/90/324046390.db2.gz LBPZPHSTVZRRHE-UHFFFAOYSA-N 1 0 247.235 3.510 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000122544595 324048414 /nfs/dbraw/zinc/04/84/14/324048414.db2.gz IKXSCSGDHRKILL-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=C(C)C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000122559662 398093387 /nfs/dbraw/zinc/09/33/87/398093387.db2.gz MKLVQWRGTNPBCQ-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000122579220 324049633 /nfs/dbraw/zinc/04/96/33/324049633.db2.gz JURVROSYUVOIGF-UHFFFAOYSA-N 1 0 247.235 3.510 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122658505 324052552 /nfs/dbraw/zinc/05/25/52/324052552.db2.gz NPZZDFWSWPFFDH-RDBSUJKOSA-N 1 0 242.366 3.597 20 30 BHEDRO CC(C)CC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122867230 366085359 /nfs/dbraw/zinc/08/53/59/366085359.db2.gz AQWVOWDMKISTFD-ZDUSSCGKSA-N 1 0 230.355 3.597 20 30 BHEDRO CC(C)CC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122867454 366109665 /nfs/dbraw/zinc/10/96/65/366109665.db2.gz AQWVOWDMKISTFD-CYBMUJFWSA-N 1 0 230.355 3.597 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000122947286 534670016 /nfs/dbraw/zinc/67/00/16/534670016.db2.gz XWVUFXWZLMZFOW-JOYOIKCWSA-N 1 0 237.343 3.527 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000122947494 534511325 /nfs/dbraw/zinc/51/13/25/534511325.db2.gz XWVUFXWZLMZFOW-BXKDBHETSA-N 1 0 237.343 3.527 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000122947743 134241749 /nfs/dbraw/zinc/24/17/49/134241749.db2.gz XWVUFXWZLMZFOW-CABZTGNLSA-N 1 0 237.343 3.527 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000122947974 134241704 /nfs/dbraw/zinc/24/17/04/134241704.db2.gz XWVUFXWZLMZFOW-SKDRFNHKSA-N 1 0 237.343 3.527 20 30 BHEDRO CCCCCC(C)(C)C[NH2+]Cc1ccc(C#N)o1 ZINC000122955861 589645237 /nfs/dbraw/zinc/64/52/37/589645237.db2.gz LCPRTCIDMUVZLZ-UHFFFAOYSA-N 1 0 248.370 3.847 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000122956697 324067934 /nfs/dbraw/zinc/06/79/34/324067934.db2.gz QDKZGBUXWAXKMY-WCQYABFASA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000122956883 324067812 /nfs/dbraw/zinc/06/78/12/324067812.db2.gz QDKZGBUXWAXKMY-AAEUAGOBSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000122957074 324067514 /nfs/dbraw/zinc/06/75/14/324067514.db2.gz QDKZGBUXWAXKMY-DGCLKSJQSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000122957259 324067807 /nfs/dbraw/zinc/06/78/07/324067807.db2.gz QDKZGBUXWAXKMY-YPMHNXCESA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000122960374 534669970 /nfs/dbraw/zinc/66/99/70/534669970.db2.gz KEJSJTMWAHQSCX-ZANVPECISA-N 1 0 225.282 3.580 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000122960521 134241783 /nfs/dbraw/zinc/24/17/83/134241783.db2.gz KEJSJTMWAHQSCX-TVQRCGJNSA-N 1 0 225.282 3.580 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000122960686 534513057 /nfs/dbraw/zinc/51/30/57/534513057.db2.gz KEJSJTMWAHQSCX-RNCFNFMXSA-N 1 0 225.282 3.580 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000122960823 534512691 /nfs/dbraw/zinc/51/26/91/534512691.db2.gz KEJSJTMWAHQSCX-NOZJJQNGSA-N 1 0 225.282 3.580 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000122971936 324070221 /nfs/dbraw/zinc/07/02/21/324070221.db2.gz NBXZZDWWCCPGBD-XQQFMLRXSA-N 1 0 209.377 3.755 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000122972420 324068721 /nfs/dbraw/zinc/06/87/21/324068721.db2.gz NBXZZDWWCCPGBD-YNEHKIRRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000122994088 324073696 /nfs/dbraw/zinc/07/36/96/324073696.db2.gz SECWLSYAQHYZJT-NWDGAFQWSA-N 1 0 221.319 3.668 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000122994316 324073560 /nfs/dbraw/zinc/07/35/60/324073560.db2.gz SECWLSYAQHYZJT-RYUDHWBXSA-N 1 0 221.319 3.668 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000122994535 324073681 /nfs/dbraw/zinc/07/36/81/324073681.db2.gz SECWLSYAQHYZJT-VXGBXAGGSA-N 1 0 221.319 3.668 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000122994728 324073361 /nfs/dbraw/zinc/07/33/61/324073361.db2.gz SECWLSYAQHYZJT-NEPJUHHUSA-N 1 0 221.319 3.668 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CCC1CCC1 ZINC000122995257 589648076 /nfs/dbraw/zinc/64/80/76/589648076.db2.gz WCTSKOFVPSNIFU-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=CCOc1ccc(C[NH2+]CCC2CCC2)cc1 ZINC000122998149 589647849 /nfs/dbraw/zinc/64/78/49/589647849.db2.gz OYJFLVQVZUKUNP-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C#C[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000123008180 589651455 /nfs/dbraw/zinc/65/14/55/589651455.db2.gz QYBAQOGFBPATAX-YJBOKZPZSA-N 1 0 249.357 3.582 20 30 BHEDRO C#C[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000123008409 589651475 /nfs/dbraw/zinc/65/14/75/589651475.db2.gz QYBAQOGFBPATAX-QAPCUYQASA-N 1 0 249.357 3.582 20 30 BHEDRO C#C[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000123008602 589651492 /nfs/dbraw/zinc/65/14/92/589651492.db2.gz QYBAQOGFBPATAX-MAUKXSAKSA-N 1 0 249.357 3.582 20 30 BHEDRO C#C[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000123008875 589651526 /nfs/dbraw/zinc/65/15/26/589651526.db2.gz QYBAQOGFBPATAX-CRAIPNDOSA-N 1 0 249.357 3.582 20 30 BHEDRO C#C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000123066103 589658383 /nfs/dbraw/zinc/65/83/83/589658383.db2.gz IZHJGWCITYVWOF-LBPRGKRZSA-N 1 0 241.359 3.526 20 30 BHEDRO C#C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000123066298 589658240 /nfs/dbraw/zinc/65/82/40/589658240.db2.gz IZHJGWCITYVWOF-GFCCVEGCSA-N 1 0 241.359 3.526 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)CCc1ccccc1 ZINC000123149765 324084136 /nfs/dbraw/zinc/08/41/36/324084136.db2.gz LDDSNMLJTYVRPZ-UHFFFAOYSA-N 1 0 231.383 3.954 20 30 BHEDRO CC(C)(CCc1ccccc1)[NH2+]CCCCC#N ZINC000123151254 386532168 /nfs/dbraw/zinc/53/21/68/386532168.db2.gz KXFBBQSSXXDKRM-UHFFFAOYSA-N 1 0 244.382 3.681 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000123180085 324093845 /nfs/dbraw/zinc/09/38/45/324093845.db2.gz FBSMXAIWVXNBHL-LBPRGKRZSA-N 1 0 241.334 3.513 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000123180333 324093890 /nfs/dbraw/zinc/09/38/90/324093890.db2.gz FBSMXAIWVXNBHL-GFCCVEGCSA-N 1 0 241.334 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000123184713 324094524 /nfs/dbraw/zinc/09/45/24/324094524.db2.gz SQCJMUCWPFEKLF-NSHDSACASA-N 1 0 245.297 3.750 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000123184914 324094732 /nfs/dbraw/zinc/09/47/32/324094732.db2.gz SQCJMUCWPFEKLF-LLVKDONJSA-N 1 0 245.297 3.750 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(OCCCC)cc1 ZINC000123188841 324094820 /nfs/dbraw/zinc/09/48/20/324094820.db2.gz GQVUYSLUEZZQQD-ZDUSSCGKSA-N 1 0 233.355 3.530 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OCCCC)cc1 ZINC000123189078 324094716 /nfs/dbraw/zinc/09/47/16/324094716.db2.gz GQVUYSLUEZZQQD-CYBMUJFWSA-N 1 0 233.355 3.530 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000123189333 324094802 /nfs/dbraw/zinc/09/48/02/324094802.db2.gz XCFRSAQHTVQKQO-AWEZNQCLSA-N 1 0 247.382 3.776 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000123189624 324094843 /nfs/dbraw/zinc/09/48/43/324094843.db2.gz XCFRSAQHTVQKQO-CQSZACIVSA-N 1 0 247.382 3.776 20 30 BHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)C1CCCC1 ZINC000123242071 324102864 /nfs/dbraw/zinc/10/28/64/324102864.db2.gz NPWJVANIPZZOFG-UHFFFAOYSA-N 1 0 242.366 3.713 20 30 BHEDRO CCCC[N@H+](CCC#N)[C@@H](C)c1ccccc1 ZINC000123366884 387685363 /nfs/dbraw/zinc/68/53/63/387685363.db2.gz NVWFIDNWEXIPKI-AWEZNQCLSA-N 1 0 230.355 3.763 20 30 BHEDRO CCCC[N@H+](CCC#N)[C@H](C)c1ccccc1 ZINC000123367103 387687185 /nfs/dbraw/zinc/68/71/85/387687185.db2.gz NVWFIDNWEXIPKI-CQSZACIVSA-N 1 0 230.355 3.763 20 30 BHEDRO CCCCCCCCCC[NH2+][C@@H]1CCOC1 ZINC000123470297 589720480 /nfs/dbraw/zinc/72/04/80/589720480.db2.gz WLCLNLFDUCVJGV-CQSZACIVSA-N 1 0 227.392 3.506 20 30 BHEDRO CCCCCCCCCC[NH2+][C@H]1CCOC1 ZINC000123470576 589720585 /nfs/dbraw/zinc/72/05/85/589720585.db2.gz WLCLNLFDUCVJGV-AWEZNQCLSA-N 1 0 227.392 3.506 20 30 BHEDRO CC(C)C[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000123474356 134243724 /nfs/dbraw/zinc/24/37/24/134243724.db2.gz DKJDBSBROZXMPE-AWEZNQCLSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)C[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000123474544 134243592 /nfs/dbraw/zinc/24/35/92/134243592.db2.gz DKJDBSBROZXMPE-CQSZACIVSA-N 1 0 222.376 3.581 20 30 BHEDRO C#CCCCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123572094 589755125 /nfs/dbraw/zinc/75/51/25/589755125.db2.gz UXNSBWQAWKJKNY-UHFFFAOYSA-N 1 0 247.304 3.501 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000124119112 589943452 /nfs/dbraw/zinc/94/34/52/589943452.db2.gz LHXIPWRLGNSIAV-UWVGGRQHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000124119358 589943234 /nfs/dbraw/zinc/94/32/34/589943234.db2.gz LHXIPWRLGNSIAV-ZJUUUORDSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000124119564 589943290 /nfs/dbraw/zinc/94/32/90/589943290.db2.gz LHXIPWRLGNSIAV-VHSXEESVSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000124119798 589943667 /nfs/dbraw/zinc/94/36/67/589943667.db2.gz LHXIPWRLGNSIAV-NXEZZACHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CCC(CCC)CC1 ZINC000124241698 342854347 /nfs/dbraw/zinc/85/43/47/342854347.db2.gz MEBCCXNTTSQMQR-HSBZDZAISA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CCC(CCC)CC1 ZINC000124241951 342854313 /nfs/dbraw/zinc/85/43/13/342854313.db2.gz MEBCCXNTTSQMQR-IYXRBSQSSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000124254530 324612916 /nfs/dbraw/zinc/61/29/16/324612916.db2.gz IJPRZTORZPLQDD-AWEZNQCLSA-N 1 0 217.356 3.666 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000124254716 388660884 /nfs/dbraw/zinc/66/08/84/388660884.db2.gz IJPRZTORZPLQDD-CQSZACIVSA-N 1 0 217.356 3.666 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000124259703 384365842 /nfs/dbraw/zinc/36/58/42/384365842.db2.gz MXMHDEQBAPCOFG-INIZCTEOSA-N 1 0 244.382 3.634 20 30 BHEDRO CC[C@H](CC#N)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000124259918 388661276 /nfs/dbraw/zinc/66/12/76/388661276.db2.gz MXMHDEQBAPCOFG-MRXNPFEDSA-N 1 0 244.382 3.634 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000124260482 324613103 /nfs/dbraw/zinc/61/31/03/324613103.db2.gz KTZUUWAAZOWPIP-ZDUSSCGKSA-N 1 0 217.356 3.864 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000124260697 384626849 /nfs/dbraw/zinc/62/68/49/384626849.db2.gz KTZUUWAAZOWPIP-CYBMUJFWSA-N 1 0 217.356 3.864 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000124265652 324612515 /nfs/dbraw/zinc/61/25/15/324612515.db2.gz AXFQIEBXYXGPDQ-AWEZNQCLSA-N 1 0 217.356 3.666 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000124265947 384394800 /nfs/dbraw/zinc/39/48/00/384394800.db2.gz AXFQIEBXYXGPDQ-CQSZACIVSA-N 1 0 217.356 3.666 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1csc2ccccc12 ZINC000124488689 590030405 /nfs/dbraw/zinc/03/04/05/590030405.db2.gz MOGZQRDAIDEKJX-UHFFFAOYSA-N 1 0 237.755 3.743 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000124491772 590032337 /nfs/dbraw/zinc/03/23/37/590032337.db2.gz NPAFZBHDFNERSF-UHFFFAOYSA-N 1 0 237.774 3.826 20 30 BHEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCC#N)cc1 ZINC000124559051 358518531 /nfs/dbraw/zinc/51/85/31/358518531.db2.gz IHVIUFRECJVPMU-INIZCTEOSA-N 1 0 242.366 3.826 20 30 BHEDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCCC#N)cc1 ZINC000124559265 358518447 /nfs/dbraw/zinc/51/84/47/358518447.db2.gz IHVIUFRECJVPMU-MRXNPFEDSA-N 1 0 242.366 3.826 20 30 BHEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000124568591 358519655 /nfs/dbraw/zinc/51/96/55/358519655.db2.gz COONTTXEVSRKBM-QWHCGFSZSA-N 1 0 222.376 3.579 20 30 BHEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000124568788 358519163 /nfs/dbraw/zinc/51/91/63/358519163.db2.gz COONTTXEVSRKBM-STQMWFEESA-N 1 0 222.376 3.579 20 30 BHEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000124568943 134606901 /nfs/dbraw/zinc/60/69/01/134606901.db2.gz COONTTXEVSRKBM-CHWSQXEVSA-N 1 0 222.376 3.579 20 30 BHEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000124569168 358519257 /nfs/dbraw/zinc/51/92/57/358519257.db2.gz COONTTXEVSRKBM-OLZOCXBDSA-N 1 0 222.376 3.579 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000124579254 388750975 /nfs/dbraw/zinc/75/09/75/388750975.db2.gz MWLWFEVSRNYREO-ZDUSSCGKSA-N 1 0 248.395 3.678 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000124579493 388750702 /nfs/dbraw/zinc/75/07/02/388750702.db2.gz MWLWFEVSRNYREO-CYBMUJFWSA-N 1 0 248.395 3.678 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000124637704 388664335 /nfs/dbraw/zinc/66/43/35/388664335.db2.gz KOJAIZNNDWMIFP-OAHLLOKOSA-N 1 0 215.340 3.612 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000124637907 388664924 /nfs/dbraw/zinc/66/49/24/388664924.db2.gz KOJAIZNNDWMIFP-HNNXBMFYSA-N 1 0 215.340 3.612 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000124798633 358525977 /nfs/dbraw/zinc/52/59/77/358525977.db2.gz YDXIGABKKAIMAO-LBPRGKRZSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000124798836 358525908 /nfs/dbraw/zinc/52/59/08/358525908.db2.gz YDXIGABKKAIMAO-GFCCVEGCSA-N 1 0 236.403 3.873 20 30 BHEDRO C=CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000124934909 358530511 /nfs/dbraw/zinc/53/05/11/358530511.db2.gz HWTPQFVTYNYQSC-UHFFFAOYSA-N 1 0 219.328 3.600 20 30 BHEDRO CC(C)CCC1CC[NH+](CCCCC#N)CC1 ZINC000124939537 358530539 /nfs/dbraw/zinc/53/05/39/358530539.db2.gz IXEQWIWNWNJYBL-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO N#CCCC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000124970028 345061062 /nfs/dbraw/zinc/06/10/62/345061062.db2.gz ZKVVKMUJYWGKTF-UHFFFAOYSA-N 1 0 246.354 3.718 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000124976051 385937405 /nfs/dbraw/zinc/93/74/05/385937405.db2.gz YTGRFKFJOYHXKC-SWLSCSKDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000124976262 385936660 /nfs/dbraw/zinc/93/66/60/385936660.db2.gz YTGRFKFJOYHXKC-IUODEOHRSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000124976524 388764294 /nfs/dbraw/zinc/76/42/94/388764294.db2.gz YTGRFKFJOYHXKC-WFASDCNBSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000124976732 324628232 /nfs/dbraw/zinc/62/82/32/324628232.db2.gz YTGRFKFJOYHXKC-DOMZBBRYSA-N 1 0 242.366 3.788 20 30 BHEDRO C=CCC[C@H]([NH2+]C(C)C)c1ccccc1 ZINC000125045645 324631020 /nfs/dbraw/zinc/63/10/20/324631020.db2.gz YSUACTUVXCRBAR-AWEZNQCLSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CCC[C@@H]([NH2+]C(C)C)c1ccccc1 ZINC000125045840 323160523 /nfs/dbraw/zinc/16/05/23/323160523.db2.gz YSUACTUVXCRBAR-CQSZACIVSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CCC[C@H]([NH2+]CCSC)c1ccccc1 ZINC000125046492 388668582 /nfs/dbraw/zinc/66/85/82/388668582.db2.gz VSFQRPCOFQWQTI-AWEZNQCLSA-N 1 0 235.396 3.647 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCSC)c1ccccc1 ZINC000125046707 353173111 /nfs/dbraw/zinc/17/31/11/353173111.db2.gz VSFQRPCOFQWQTI-CQSZACIVSA-N 1 0 235.396 3.647 20 30 BHEDRO C=C(Br)C[NH2+][C@@H](C)CCC=C(C)C ZINC000125051393 584028124 /nfs/dbraw/zinc/02/81/24/584028124.db2.gz PTJQYLDDHSFBSA-NSHDSACASA-N 1 0 246.192 3.620 20 30 BHEDRO C=C(Br)C[NH2+][C@H](C)CCC=C(C)C ZINC000125051633 590116578 /nfs/dbraw/zinc/11/65/78/590116578.db2.gz PTJQYLDDHSFBSA-LLVKDONJSA-N 1 0 246.192 3.620 20 30 BHEDRO CC(C)CCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000125108295 590121018 /nfs/dbraw/zinc/12/10/18/590121018.db2.gz GDIQCLGVKHIMEW-UHFFFAOYSA-N 1 0 248.345 3.613 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000125234349 324635681 /nfs/dbraw/zinc/63/56/81/324635681.db2.gz UQPRNZBNELJDMF-UONOGXRCSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000125234594 324635577 /nfs/dbraw/zinc/63/55/77/324635577.db2.gz UQPRNZBNELJDMF-KBPBESRZSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000125234798 388669255 /nfs/dbraw/zinc/66/92/55/388669255.db2.gz UQPRNZBNELJDMF-ZIAGYGMSSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000125235016 388669532 /nfs/dbraw/zinc/66/95/32/388669532.db2.gz UQPRNZBNELJDMF-KGLIPLIRSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000125235267 324635852 /nfs/dbraw/zinc/63/58/52/324635852.db2.gz IPURWKLBOKPRRB-FZMZJTMJSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000125235520 323284377 /nfs/dbraw/zinc/28/43/77/323284377.db2.gz IPURWKLBOKPRRB-SMDDNHRTSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000125235771 324635368 /nfs/dbraw/zinc/63/53/68/324635368.db2.gz IPURWKLBOKPRRB-RISCZKNCSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000125235930 323173796 /nfs/dbraw/zinc/17/37/96/323173796.db2.gz IPURWKLBOKPRRB-BXUZGUMPSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1ccsc1)C1CC1 ZINC000125287943 388670648 /nfs/dbraw/zinc/67/06/48/388670648.db2.gz JZAPWOCCNHOESX-AWEZNQCLSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1ccsc1)C1CC1 ZINC000125288296 324638011 /nfs/dbraw/zinc/63/80/11/324638011.db2.gz JZAPWOCCNHOESX-CQSZACIVSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccsc1)C1CC1 ZINC000125291421 324638093 /nfs/dbraw/zinc/63/80/93/324638093.db2.gz BSGXUAQMPSINLQ-ZDUSSCGKSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccsc1)C1CC1 ZINC000125291636 388670568 /nfs/dbraw/zinc/67/05/68/388670568.db2.gz BSGXUAQMPSINLQ-CYBMUJFWSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)s1)C1CC1 ZINC000125292178 388670747 /nfs/dbraw/zinc/67/07/47/388670747.db2.gz BETYEQCZNQYBLR-AWEZNQCLSA-N 1 0 235.396 3.891 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)s1)C1CC1 ZINC000125292361 388670371 /nfs/dbraw/zinc/67/03/71/388670371.db2.gz BETYEQCZNQYBLR-CQSZACIVSA-N 1 0 235.396 3.891 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1sccc1C)C1CC1 ZINC000125300641 323173820 /nfs/dbraw/zinc/17/38/20/323173820.db2.gz NSWRMEZVGGOMLT-ZDUSSCGKSA-N 1 0 235.396 3.891 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1sccc1C)C1CC1 ZINC000125300867 388671224 /nfs/dbraw/zinc/67/12/24/388671224.db2.gz NSWRMEZVGGOMLT-CYBMUJFWSA-N 1 0 235.396 3.891 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000125301763 324637887 /nfs/dbraw/zinc/63/78/87/324637887.db2.gz FOTQHWDKOIYBFQ-ZFWWWQNUSA-N 1 0 219.372 3.677 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000125301955 323860607 /nfs/dbraw/zinc/86/06/07/323860607.db2.gz FOTQHWDKOIYBFQ-DZGCQCFKSA-N 1 0 219.372 3.677 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000125302119 388670758 /nfs/dbraw/zinc/67/07/58/388670758.db2.gz FOTQHWDKOIYBFQ-HIFRSBDPSA-N 1 0 219.372 3.677 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000125302257 324637760 /nfs/dbraw/zinc/63/77/60/324637760.db2.gz FOTQHWDKOIYBFQ-UKRRQHHQSA-N 1 0 219.372 3.677 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000125391735 371338220 /nfs/dbraw/zinc/33/82/20/371338220.db2.gz UJQQUIQNZAHUOM-CYBMUJFWSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000125391927 371339166 /nfs/dbraw/zinc/33/91/66/371339166.db2.gz UJQQUIQNZAHUOM-ZDUSSCGKSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000125392579 324639674 /nfs/dbraw/zinc/63/96/74/324639674.db2.gz VUBAVVTZVWYVPG-AWEZNQCLSA-N 1 0 203.329 3.549 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000125392786 384867890 /nfs/dbraw/zinc/86/78/90/384867890.db2.gz VUBAVVTZVWYVPG-CQSZACIVSA-N 1 0 203.329 3.549 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000125393005 134608384 /nfs/dbraw/zinc/60/83/84/134608384.db2.gz CGYPTOAYPHMEJL-ZDUSSCGKSA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000125393219 398150335 /nfs/dbraw/zinc/15/03/35/398150335.db2.gz CGYPTOAYPHMEJL-CYBMUJFWSA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000125393478 324639828 /nfs/dbraw/zinc/63/98/28/324639828.db2.gz PGAINPICDXHBKW-CQSZACIVSA-N 1 0 235.758 3.957 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000125393709 324640041 /nfs/dbraw/zinc/64/00/41/324640041.db2.gz PGAINPICDXHBKW-AWEZNQCLSA-N 1 0 235.758 3.957 20 30 BHEDRO C=CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000125395073 388672560 /nfs/dbraw/zinc/67/25/60/388672560.db2.gz DECSCWYUNBPBAW-OLZOCXBDSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000125395314 324640028 /nfs/dbraw/zinc/64/00/28/324640028.db2.gz DECSCWYUNBPBAW-STQMWFEESA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000125395490 388672069 /nfs/dbraw/zinc/67/20/69/388672069.db2.gz DECSCWYUNBPBAW-CHWSQXEVSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000125395745 324640110 /nfs/dbraw/zinc/64/01/10/324640110.db2.gz DECSCWYUNBPBAW-QWHCGFSZSA-N 1 0 209.377 3.757 20 30 BHEDRO CC1(C)CC([NH2+]CC2(CC#N)CC2)CC(C)(C)C1 ZINC000125545385 358540742 /nfs/dbraw/zinc/54/07/42/358540742.db2.gz KPDUVSARBGCLEJ-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CC([NH2+]CCCCC#N)CC(C)(C)C1 ZINC000125546782 358541218 /nfs/dbraw/zinc/54/12/18/358541218.db2.gz CPSXVJGVHVOFLI-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000125629119 388673596 /nfs/dbraw/zinc/67/35/96/388673596.db2.gz KRLCDQHFMIRBMC-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000125629344 324645358 /nfs/dbraw/zinc/64/53/58/324645358.db2.gz KRLCDQHFMIRBMC-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO CC[N@H+](CC=C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125763815 388806783 /nfs/dbraw/zinc/80/67/83/388806783.db2.gz SDTKBGVRAMNSQK-AWEZNQCLSA-N 1 0 242.366 3.907 20 30 BHEDRO C=C(C)COCC[NH2+]C1CCC(CCC)CC1 ZINC000125807624 324655983 /nfs/dbraw/zinc/65/59/83/324655983.db2.gz GPUGQRLKFIPXFS-UHFFFAOYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000125929955 343167832 /nfs/dbraw/zinc/16/78/32/343167832.db2.gz OSGIXASLMYESAV-IINYFYTJSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000125930165 343167901 /nfs/dbraw/zinc/16/79/01/343167901.db2.gz OSGIXASLMYESAV-QMTHXVAHSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000125930404 343167732 /nfs/dbraw/zinc/16/77/32/343167732.db2.gz OSGIXASLMYESAV-HZMBPMFUSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000125930630 343168026 /nfs/dbraw/zinc/16/80/26/343168026.db2.gz OSGIXASLMYESAV-YGRLFVJLSA-N 1 0 235.758 3.882 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000126068610 590223248 /nfs/dbraw/zinc/22/32/48/590223248.db2.gz BJVOKOFSRMDBNH-RYUDHWBXSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000126068855 590222985 /nfs/dbraw/zinc/22/29/85/590222985.db2.gz BJVOKOFSRMDBNH-NEPJUHHUSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000126069146 590223270 /nfs/dbraw/zinc/22/32/70/590223270.db2.gz BJVOKOFSRMDBNH-NWDGAFQWSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000126069325 590223034 /nfs/dbraw/zinc/22/30/34/590223034.db2.gz BJVOKOFSRMDBNH-VXGBXAGGSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000126136286 353219384 /nfs/dbraw/zinc/21/93/84/353219384.db2.gz HNHSECDGEIDMRG-SWLSCSKDSA-N 1 0 215.340 3.537 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000126136463 353219726 /nfs/dbraw/zinc/21/97/26/353219726.db2.gz HNHSECDGEIDMRG-WFASDCNBSA-N 1 0 215.340 3.537 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000126136658 534511773 /nfs/dbraw/zinc/51/17/73/534511773.db2.gz HNHSECDGEIDMRG-IUODEOHRSA-N 1 0 215.340 3.537 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000126136872 534512462 /nfs/dbraw/zinc/51/24/62/534512462.db2.gz HNHSECDGEIDMRG-DOMZBBRYSA-N 1 0 215.340 3.537 20 30 BHEDRO CCCCCCCCC[NH2+]CC1=CCCOC1 ZINC000126284855 590269534 /nfs/dbraw/zinc/26/95/34/590269534.db2.gz BZJQFNCYCPKVAO-UHFFFAOYSA-N 1 0 239.403 3.673 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000126418410 590301917 /nfs/dbraw/zinc/30/19/17/590301917.db2.gz RHNOBADMIWVSBF-CYBMUJFWSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CC(C)(C)C#N ZINC000126418623 590301976 /nfs/dbraw/zinc/30/19/76/590301976.db2.gz RHNOBADMIWVSBF-ZDUSSCGKSA-N 1 0 224.392 3.875 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126598421 388698214 /nfs/dbraw/zinc/69/82/14/388698214.db2.gz KMQBAUXWVTXJRR-XQQFMLRXSA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126598685 388698790 /nfs/dbraw/zinc/69/87/90/388698790.db2.gz KMQBAUXWVTXJRR-UPJWGTAASA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126598881 324705544 /nfs/dbraw/zinc/70/55/44/324705544.db2.gz KMQBAUXWVTXJRR-AVGNSLFASA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126599158 388697917 /nfs/dbraw/zinc/69/79/17/388697917.db2.gz KMQBAUXWVTXJRR-AGIUHOORSA-N 1 0 233.355 3.644 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126628636 323369448 /nfs/dbraw/zinc/36/94/48/323369448.db2.gz NJIABVMPFDXRAG-JSGCOSHPSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126628911 388698804 /nfs/dbraw/zinc/69/88/04/388698804.db2.gz NJIABVMPFDXRAG-GXTWGEPZSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1cccc(O)c1 ZINC000126629165 388697983 /nfs/dbraw/zinc/69/79/83/388697983.db2.gz NJIABVMPFDXRAG-OCCSQVGLSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(O)c1 ZINC000126629330 388698856 /nfs/dbraw/zinc/69/88/56/388698856.db2.gz NJIABVMPFDXRAG-TZMCWYRMSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000126668391 324705214 /nfs/dbraw/zinc/70/52/14/324705214.db2.gz KZVBZCBIVDQNAM-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000126668614 384796248 /nfs/dbraw/zinc/79/62/48/384796248.db2.gz KZVBZCBIVDQNAM-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000126668860 388699628 /nfs/dbraw/zinc/69/96/28/388699628.db2.gz KZVBZCBIVDQNAM-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000126669114 324708506 /nfs/dbraw/zinc/70/85/06/324708506.db2.gz KZVBZCBIVDQNAM-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)c1nccs1 ZINC000126677454 344182875 /nfs/dbraw/zinc/18/28/75/344182875.db2.gz IUKYPZZDDNFKRB-QWRGUYRKSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](CC)c1nccs1 ZINC000126677672 344183020 /nfs/dbraw/zinc/18/30/20/344183020.db2.gz IUKYPZZDDNFKRB-WDEREUQCSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC)c1nccs1 ZINC000126677910 344182668 /nfs/dbraw/zinc/18/26/68/344182668.db2.gz IUKYPZZDDNFKRB-MNOVXSKESA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](CC)c1nccs1 ZINC000126678189 344182755 /nfs/dbraw/zinc/18/27/55/344182755.db2.gz IUKYPZZDDNFKRB-GHMZBOCLSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000126686961 388699581 /nfs/dbraw/zinc/69/95/81/388699581.db2.gz HLAIDULKBMYFLZ-CMPLNLGQSA-N 1 0 221.344 3.902 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000126687185 323998076 /nfs/dbraw/zinc/99/80/76/323998076.db2.gz HLAIDULKBMYFLZ-JQWIXIFHSA-N 1 0 221.344 3.902 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000126687411 324709860 /nfs/dbraw/zinc/70/98/60/324709860.db2.gz HLAIDULKBMYFLZ-ZYHUDNBSSA-N 1 0 221.344 3.902 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000126687635 324710047 /nfs/dbraw/zinc/71/00/47/324710047.db2.gz HLAIDULKBMYFLZ-PWSUYJOCSA-N 1 0 221.344 3.902 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000126693772 398284966 /nfs/dbraw/zinc/28/49/66/398284966.db2.gz UMRDSVBIFVVRGY-ZDUSSCGKSA-N 1 0 207.361 3.821 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000126693997 324710852 /nfs/dbraw/zinc/71/08/52/324710852.db2.gz UMRDSVBIFVVRGY-CYBMUJFWSA-N 1 0 207.361 3.821 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000126699610 388699532 /nfs/dbraw/zinc/69/95/32/388699532.db2.gz QPSIVVSFIONPJB-XJFOESAGSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000126699849 388699952 /nfs/dbraw/zinc/69/99/52/388699952.db2.gz QPSIVVSFIONPJB-IGQOVBAYSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000126704961 388700330 /nfs/dbraw/zinc/70/03/30/388700330.db2.gz XTSJVZXXNYGQAD-LBPRGKRZSA-N 1 0 237.774 3.827 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000126705201 388700761 /nfs/dbraw/zinc/70/07/61/388700761.db2.gz XTSJVZXXNYGQAD-GFCCVEGCSA-N 1 0 237.774 3.827 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCCc1ccccc1 ZINC000126705864 324710518 /nfs/dbraw/zinc/71/05/18/324710518.db2.gz YKYHQSNGFODBOQ-AWEZNQCLSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000126706118 324710890 /nfs/dbraw/zinc/71/08/90/324710890.db2.gz YKYHQSNGFODBOQ-CQSZACIVSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000126723195 398219972 /nfs/dbraw/zinc/21/99/72/398219972.db2.gz VCFJDASXQBTGJV-STQMWFEESA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000126723446 166295050 /nfs/dbraw/zinc/29/50/50/166295050.db2.gz VCFJDASXQBTGJV-OLZOCXBDSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000126723651 166301565 /nfs/dbraw/zinc/30/15/65/166301565.db2.gz VCFJDASXQBTGJV-QWHCGFSZSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000126723856 398219620 /nfs/dbraw/zinc/21/96/20/398219620.db2.gz VCFJDASXQBTGJV-CHWSQXEVSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCSc1ccccc1 ZINC000126730454 388700213 /nfs/dbraw/zinc/70/02/13/388700213.db2.gz DWRDMRDIEWTSSB-ZDUSSCGKSA-N 1 0 235.396 3.723 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCSc1ccccc1 ZINC000126730595 324712550 /nfs/dbraw/zinc/71/25/50/324712550.db2.gz DWRDMRDIEWTSSB-CYBMUJFWSA-N 1 0 235.396 3.723 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000126738337 388700753 /nfs/dbraw/zinc/70/07/53/388700753.db2.gz LYOICEJRGACJKY-SWLSCSKDSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000126738577 384793544 /nfs/dbraw/zinc/79/35/44/384793544.db2.gz LYOICEJRGACJKY-IUODEOHRSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000126742254 384799963 /nfs/dbraw/zinc/79/99/63/384799963.db2.gz WWKQDQFXRFZSNB-RYUDHWBXSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000126742459 384802169 /nfs/dbraw/zinc/80/21/69/384802169.db2.gz WWKQDQFXRFZSNB-NEPJUHHUSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000126742691 384800014 /nfs/dbraw/zinc/80/00/14/384800014.db2.gz WWKQDQFXRFZSNB-NWDGAFQWSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000126742889 133642494 /nfs/dbraw/zinc/64/24/94/133642494.db2.gz WWKQDQFXRFZSNB-VXGBXAGGSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000126755372 166300477 /nfs/dbraw/zinc/30/04/77/166300477.db2.gz YDWFNZGFGMSQRK-WCQYABFASA-N 1 0 219.328 3.601 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000126755597 398219869 /nfs/dbraw/zinc/21/98/69/398219869.db2.gz YDWFNZGFGMSQRK-DGCLKSJQSA-N 1 0 219.328 3.601 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000126755823 358554677 /nfs/dbraw/zinc/55/46/77/358554677.db2.gz YDWFNZGFGMSQRK-AAEUAGOBSA-N 1 0 219.328 3.601 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000126756062 358554238 /nfs/dbraw/zinc/55/42/38/358554238.db2.gz YDWFNZGFGMSQRK-YPMHNXCESA-N 1 0 219.328 3.601 20 30 BHEDRO CCCCCCCC[NH2+]C[C@@H]1CCC=CO1 ZINC000126761720 590439446 /nfs/dbraw/zinc/43/94/46/590439446.db2.gz COIKWNHEOPLGCW-AWEZNQCLSA-N 1 0 225.376 3.629 20 30 BHEDRO CCCCCCCC[NH2+]C[C@H]1CCC=CO1 ZINC000126761969 590440430 /nfs/dbraw/zinc/44/04/30/590440430.db2.gz COIKWNHEOPLGCW-CQSZACIVSA-N 1 0 225.376 3.629 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000126764426 344183695 /nfs/dbraw/zinc/18/36/95/344183695.db2.gz VDLSMGRAUXGZRH-JTQLQIEISA-N 1 0 209.358 3.501 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000126764649 344183847 /nfs/dbraw/zinc/18/38/47/344183847.db2.gz VDLSMGRAUXGZRH-SNVBAGLBSA-N 1 0 209.358 3.501 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000126775991 344183641 /nfs/dbraw/zinc/18/36/41/344183641.db2.gz KMNPFCFADYBFLD-RYUDHWBXSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000126776193 344183505 /nfs/dbraw/zinc/18/35/05/344183505.db2.gz KMNPFCFADYBFLD-NEPJUHHUSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000126776412 344183842 /nfs/dbraw/zinc/18/38/42/344183842.db2.gz KMNPFCFADYBFLD-NWDGAFQWSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000126776615 344183826 /nfs/dbraw/zinc/18/38/26/344183826.db2.gz KMNPFCFADYBFLD-VXGBXAGGSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1sccc1C ZINC000126787982 324718117 /nfs/dbraw/zinc/71/81/17/324718117.db2.gz BEUPRUCPIYTICE-NSHDSACASA-N 1 0 209.358 3.501 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1sccc1C ZINC000126788215 388702851 /nfs/dbraw/zinc/70/28/51/388702851.db2.gz BEUPRUCPIYTICE-LLVKDONJSA-N 1 0 209.358 3.501 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000126795361 590445887 /nfs/dbraw/zinc/44/58/87/590445887.db2.gz VOJLCXGMIIPACQ-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000126795582 590446103 /nfs/dbraw/zinc/44/61/03/590446103.db2.gz VOJLCXGMIIPACQ-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000126795802 590446680 /nfs/dbraw/zinc/44/66/80/590446680.db2.gz VOJLCXGMIIPACQ-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000126796009 590446332 /nfs/dbraw/zinc/44/63/32/590446332.db2.gz VOJLCXGMIIPACQ-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000126797171 324719025 /nfs/dbraw/zinc/71/90/25/324719025.db2.gz QKZFUBZDDQNCSG-VIFPVBQESA-N 1 0 229.776 3.846 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000126797399 388703159 /nfs/dbraw/zinc/70/31/59/388703159.db2.gz QKZFUBZDDQNCSG-SECBINFHSA-N 1 0 229.776 3.846 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1CCCOCC1 ZINC000126806213 590458202 /nfs/dbraw/zinc/45/82/02/590458202.db2.gz DUWBBLGMZAVEJQ-CQSZACIVSA-N 1 0 227.392 3.506 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CCCOCC1 ZINC000126806406 590458888 /nfs/dbraw/zinc/45/88/88/590458888.db2.gz DUWBBLGMZAVEJQ-AWEZNQCLSA-N 1 0 227.392 3.506 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000126812889 324721070 /nfs/dbraw/zinc/72/10/70/324721070.db2.gz DXMJLYREFLGIQQ-JTQLQIEISA-N 1 0 241.737 3.923 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000126813129 388704145 /nfs/dbraw/zinc/70/41/45/388704145.db2.gz DXMJLYREFLGIQQ-SNVBAGLBSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000126836771 324723481 /nfs/dbraw/zinc/72/34/81/324723481.db2.gz RUSHHZIGJORLHB-YIYPIFLZSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000126837011 388706156 /nfs/dbraw/zinc/70/61/56/388706156.db2.gz RUSHHZIGJORLHB-RFQIPJPRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000126838284 324723744 /nfs/dbraw/zinc/72/37/44/324723744.db2.gz UBLNIGXRCRMJEI-LBPRGKRZSA-N 1 0 237.412 3.970 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000126838541 388705981 /nfs/dbraw/zinc/70/59/81/388705981.db2.gz UBLNIGXRCRMJEI-GFCCVEGCSA-N 1 0 237.412 3.970 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000126843280 324725152 /nfs/dbraw/zinc/72/51/52/324725152.db2.gz JJOKAVOEWWRHFT-NWDGAFQWSA-N 1 0 237.412 3.932 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000126843533 323004370 /nfs/dbraw/zinc/00/43/70/323004370.db2.gz JJOKAVOEWWRHFT-RYUDHWBXSA-N 1 0 237.412 3.932 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000126843781 324724909 /nfs/dbraw/zinc/72/49/09/324724909.db2.gz JJOKAVOEWWRHFT-VXGBXAGGSA-N 1 0 237.412 3.932 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000126844003 324725160 /nfs/dbraw/zinc/72/51/60/324725160.db2.gz JJOKAVOEWWRHFT-NEPJUHHUSA-N 1 0 237.412 3.932 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000126848147 324725053 /nfs/dbraw/zinc/72/50/53/324725053.db2.gz AJAHVSNCTQUCPQ-AVGNSLFASA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000126848373 322960333 /nfs/dbraw/zinc/96/03/33/322960333.db2.gz AJAHVSNCTQUCPQ-UPJWGTAASA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1CC ZINC000126849040 324724724 /nfs/dbraw/zinc/72/47/24/324724724.db2.gz KXMQUWPUXQARNW-ZDUSSCGKSA-N 1 0 217.356 3.693 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1CC ZINC000126849248 324722769 /nfs/dbraw/zinc/72/27/69/324722769.db2.gz KXMQUWPUXQARNW-CYBMUJFWSA-N 1 0 217.356 3.693 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000126850342 324724553 /nfs/dbraw/zinc/72/45/53/324724553.db2.gz DJCISAPUXLDROV-LBPRGKRZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000126850553 388705479 /nfs/dbraw/zinc/70/54/79/388705479.db2.gz DJCISAPUXLDROV-GFCCVEGCSA-N 1 0 209.377 3.900 20 30 BHEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)C(C)(C)C ZINC000126851293 342765217 /nfs/dbraw/zinc/76/52/17/342765217.db2.gz FUNVBMCRLXZENH-LBPRGKRZSA-N 1 0 224.392 3.588 20 30 BHEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)C(C)(C)C ZINC000126851560 342765364 /nfs/dbraw/zinc/76/53/64/342765364.db2.gz FUNVBMCRLXZENH-GFCCVEGCSA-N 1 0 224.392 3.588 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000126863080 324727140 /nfs/dbraw/zinc/72/71/40/324727140.db2.gz QNDCCRWQQAGTEG-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000126863354 324727188 /nfs/dbraw/zinc/72/71/88/324727188.db2.gz QNDCCRWQQAGTEG-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000126863551 388707215 /nfs/dbraw/zinc/70/72/15/388707215.db2.gz QNDCCRWQQAGTEG-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000126863776 388707144 /nfs/dbraw/zinc/70/71/44/388707144.db2.gz QNDCCRWQQAGTEG-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000126895165 388708516 /nfs/dbraw/zinc/70/85/16/388708516.db2.gz YCAUBZPBXRAHQZ-HSBZDZAISA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000126895410 388707698 /nfs/dbraw/zinc/70/76/98/388707698.db2.gz YCAUBZPBXRAHQZ-IYXRBSQSSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000126907236 324732410 /nfs/dbraw/zinc/73/24/10/324732410.db2.gz IVYQEUQAWDULLY-ZOBORPQBSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000126907487 324732259 /nfs/dbraw/zinc/73/22/59/324732259.db2.gz IVYQEUQAWDULLY-XDQVBPFNSA-N 1 0 209.377 3.755 20 30 BHEDRO CC(C)CCCC[NH2+]CC(C)(C)CCC#N ZINC000126930897 590509271 /nfs/dbraw/zinc/50/92/71/590509271.db2.gz LSBJYKPYAXCMRU-UHFFFAOYSA-N 1 0 224.392 3.732 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000126948930 323174060 /nfs/dbraw/zinc/17/40/60/323174060.db2.gz LQNVCMMAKMLKEA-JTQLQIEISA-N 1 0 243.272 3.932 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000126949232 324734453 /nfs/dbraw/zinc/73/44/53/324734453.db2.gz LQNVCMMAKMLKEA-SNVBAGLBSA-N 1 0 243.272 3.932 20 30 BHEDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000126991800 384234403 /nfs/dbraw/zinc/23/44/03/384234403.db2.gz UOMGGTUQMKAMSA-AWEZNQCLSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000126992062 323074974 /nfs/dbraw/zinc/07/49/74/323074974.db2.gz UOMGGTUQMKAMSA-CQSZACIVSA-N 1 0 248.395 3.630 20 30 BHEDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000127235206 344062456 /nfs/dbraw/zinc/06/24/56/344062456.db2.gz BDLCCUISMMXZEO-CQSZACIVSA-N 1 0 248.395 3.632 20 30 BHEDRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000127235438 344062527 /nfs/dbraw/zinc/06/25/27/344062527.db2.gz BDLCCUISMMXZEO-AWEZNQCLSA-N 1 0 248.395 3.632 20 30 BHEDRO C[C@@H]1C[C@H](C)CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000127287150 388719779 /nfs/dbraw/zinc/71/97/79/388719779.db2.gz MEVOFMJQMSFWSB-ZIAGYGMSSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@H](C)C1 ZINC000127287384 388720005 /nfs/dbraw/zinc/72/00/05/388720005.db2.gz MEVOFMJQMSFWSB-UONOGXRCSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC000127770597 411252702 /nfs/dbraw/zinc/25/27/02/411252702.db2.gz GAMJYVJJGHQXIL-UHFFFAOYSA-N 1 0 248.395 3.798 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000127890543 324793440 /nfs/dbraw/zinc/79/34/40/324793440.db2.gz PVJKSTDMBWASLD-DYEKYZERSA-N 1 0 215.340 3.707 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000127890765 324793611 /nfs/dbraw/zinc/79/36/11/324793611.db2.gz PVJKSTDMBWASLD-OBJOEFQTSA-N 1 0 215.340 3.707 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000127891017 388733315 /nfs/dbraw/zinc/73/33/15/388733315.db2.gz PVJKSTDMBWASLD-MBNYWOFBSA-N 1 0 215.340 3.707 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000127891251 324793355 /nfs/dbraw/zinc/79/33/55/324793355.db2.gz PVJKSTDMBWASLD-SGMGOOAPSA-N 1 0 215.340 3.707 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000128036798 388736733 /nfs/dbraw/zinc/73/67/33/388736733.db2.gz RCBZGEBZBUWUCK-QWHCGFSZSA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000128037058 324802682 /nfs/dbraw/zinc/80/26/82/324802682.db2.gz RCBZGEBZBUWUCK-STQMWFEESA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000128037248 324802211 /nfs/dbraw/zinc/80/22/11/324802211.db2.gz RCBZGEBZBUWUCK-CHWSQXEVSA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000128037425 324802686 /nfs/dbraw/zinc/80/26/86/324802686.db2.gz RCBZGEBZBUWUCK-OLZOCXBDSA-N 1 0 203.329 3.610 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC1CCCC1 ZINC000128194585 323006456 /nfs/dbraw/zinc/00/64/56/323006456.db2.gz OMMGLXFCYQSYCK-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC1CCCC1 ZINC000128194769 384515403 /nfs/dbraw/zinc/51/54/03/384515403.db2.gz OMMGLXFCYQSYCK-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000128195997 384515884 /nfs/dbraw/zinc/51/58/84/384515884.db2.gz MIFVPRFMXQFTOC-NEPJUHHUSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000128196217 388741429 /nfs/dbraw/zinc/74/14/29/388741429.db2.gz MIFVPRFMXQFTOC-RYUDHWBXSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000128196453 384515965 /nfs/dbraw/zinc/51/59/65/384515965.db2.gz MIFVPRFMXQFTOC-VXGBXAGGSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc(C#N)s1 ZINC000128196639 323006439 /nfs/dbraw/zinc/00/64/39/323006439.db2.gz MIFVPRFMXQFTOC-NWDGAFQWSA-N 1 0 248.395 3.630 20 30 BHEDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000128345616 385152730 /nfs/dbraw/zinc/15/27/30/385152730.db2.gz WDCWXQMFZJMXND-LBPRGKRZSA-N 1 0 248.395 3.774 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1ccc2ccccc2c1 ZINC000128373896 385030193 /nfs/dbraw/zinc/03/01/93/385030193.db2.gz BCIGKLLYDGJINW-ZDUSSCGKSA-N 1 0 238.334 3.794 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1ccc2ccccc2c1 ZINC000128374103 133476561 /nfs/dbraw/zinc/47/65/61/133476561.db2.gz BCIGKLLYDGJINW-CYBMUJFWSA-N 1 0 238.334 3.794 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1cccc2ccccc21 ZINC000128376285 385030264 /nfs/dbraw/zinc/03/02/64/385030264.db2.gz NSKLLOSUSJPSOD-ZDUSSCGKSA-N 1 0 238.334 3.794 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1cccc2ccccc21 ZINC000128376513 385031040 /nfs/dbraw/zinc/03/10/40/385031040.db2.gz NSKLLOSUSJPSOD-CYBMUJFWSA-N 1 0 238.334 3.794 20 30 BHEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)C(C)C ZINC000128435489 385507506 /nfs/dbraw/zinc/50/75/06/385507506.db2.gz JEKLBCIICBUOBR-GFCCVEGCSA-N 1 0 248.345 3.564 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000128476868 384895409 /nfs/dbraw/zinc/89/54/09/384895409.db2.gz XFWGRLBVWCUFJE-JTQLQIEISA-N 1 0 243.272 3.932 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000128477059 324843745 /nfs/dbraw/zinc/84/37/45/324843745.db2.gz XFWGRLBVWCUFJE-SNVBAGLBSA-N 1 0 243.272 3.932 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000128478972 388763433 /nfs/dbraw/zinc/76/34/33/388763433.db2.gz CYTGTQHAQMTJAJ-CYBMUJFWSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000128480821 353291249 /nfs/dbraw/zinc/29/12/49/353291249.db2.gz XZTIWICBKHFBQD-JTQLQIEISA-N 1 0 241.281 3.515 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000128481018 353291091 /nfs/dbraw/zinc/29/10/91/353291091.db2.gz XZTIWICBKHFBQD-SNVBAGLBSA-N 1 0 241.281 3.515 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000128484541 358576465 /nfs/dbraw/zinc/57/64/65/358576465.db2.gz HJTHRYXHTXPJBM-LBPRGKRZSA-N 1 0 243.272 3.846 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000128484791 353289885 /nfs/dbraw/zinc/28/98/85/353289885.db2.gz HJTHRYXHTXPJBM-GFCCVEGCSA-N 1 0 243.272 3.846 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000128503404 324846983 /nfs/dbraw/zinc/84/69/83/324846983.db2.gz QZDRCWFCCAYZFR-JTQLQIEISA-N 1 0 243.272 3.932 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000128503638 388765893 /nfs/dbraw/zinc/76/58/93/388765893.db2.gz QZDRCWFCCAYZFR-SNVBAGLBSA-N 1 0 243.272 3.932 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000128615054 591140890 /nfs/dbraw/zinc/14/08/90/591140890.db2.gz DJSNTWMAEASOPR-LSDHHAIUSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000128615303 591140747 /nfs/dbraw/zinc/14/07/47/591140747.db2.gz DJSNTWMAEASOPR-HUUCEWRRSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000128615526 591140919 /nfs/dbraw/zinc/14/09/19/591140919.db2.gz DJSNTWMAEASOPR-GJZGRUSLSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000128615745 591141464 /nfs/dbraw/zinc/14/14/64/591141464.db2.gz DJSNTWMAEASOPR-CABCVRRESA-N 1 0 241.419 3.752 20 30 BHEDRO C=CC[N@@H+](Cc1cnoc1C)CC1CCCCC1 ZINC000128619390 384751070 /nfs/dbraw/zinc/75/10/70/384751070.db2.gz WIWUVGJDBTUAAR-UHFFFAOYSA-N 1 0 248.370 3.551 20 30 BHEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCCCC#N ZINC000128674618 385063747 /nfs/dbraw/zinc/06/37/47/385063747.db2.gz XRGQUHVJXBSLIA-INIZCTEOSA-N 1 0 244.382 3.633 20 30 BHEDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCCCC#N ZINC000128674860 385062274 /nfs/dbraw/zinc/06/22/74/385062274.db2.gz XRGQUHVJXBSLIA-MRXNPFEDSA-N 1 0 244.382 3.633 20 30 BHEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000128846048 386270425 /nfs/dbraw/zinc/27/04/25/386270425.db2.gz WUBGLVCPWUKRSY-GFCCVEGCSA-N 1 0 248.395 3.632 20 30 BHEDRO CC[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000128846298 386270684 /nfs/dbraw/zinc/27/06/84/386270684.db2.gz WUBGLVCPWUKRSY-LBPRGKRZSA-N 1 0 248.395 3.632 20 30 BHEDRO CC[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000128851716 350736948 /nfs/dbraw/zinc/73/69/48/350736948.db2.gz OPFVHHAYYXQRRC-GFCCVEGCSA-N 1 0 248.395 3.632 20 30 BHEDRO CC[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000128851947 386269010 /nfs/dbraw/zinc/26/90/10/386269010.db2.gz OPFVHHAYYXQRRC-LBPRGKRZSA-N 1 0 248.395 3.632 20 30 BHEDRO CC[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000128856846 358581072 /nfs/dbraw/zinc/58/10/72/358581072.db2.gz FOFGJNZQJJTXEC-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[C@H]1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000128857071 358581132 /nfs/dbraw/zinc/58/11/32/358581132.db2.gz FOFGJNZQJJTXEC-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000128883081 534709926 /nfs/dbraw/zinc/70/99/26/534709926.db2.gz RVKABLCRUQJLBV-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000128884832 388801715 /nfs/dbraw/zinc/80/17/15/388801715.db2.gz KVXIVEJDWUWMNK-UHFFFAOYSA-N 1 0 243.272 3.502 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)c(C)s1 ZINC000129184479 591266979 /nfs/dbraw/zinc/26/69/79/591266979.db2.gz ALZHEYNUGULNSU-SNVBAGLBSA-N 1 0 236.384 3.565 20 30 BHEDRO Cc1cc([C@H](C)[NH2+]CC(C)(C)C#N)c(C)s1 ZINC000129184714 591266582 /nfs/dbraw/zinc/26/65/82/591266582.db2.gz ALZHEYNUGULNSU-JTQLQIEISA-N 1 0 236.384 3.565 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)s1 ZINC000129220379 639060769 /nfs/dbraw/zinc/06/07/69/639060769.db2.gz JXQVBIWEZQZYAK-SNVBAGLBSA-N 1 0 236.384 3.511 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)s1 ZINC000129220622 632425087 /nfs/dbraw/zinc/42/50/87/632425087.db2.gz JXQVBIWEZQZYAK-JTQLQIEISA-N 1 0 236.384 3.511 20 30 BHEDRO C=CCSCC[NH2+][C@@H](CC)c1cccs1 ZINC000129337152 388832044 /nfs/dbraw/zinc/83/20/44/388832044.db2.gz PWCHHZRTXYSYSJ-NSHDSACASA-N 1 0 241.425 3.708 20 30 BHEDRO C=CCSCC[NH2+][C@H](CC)c1cccs1 ZINC000129337356 388831972 /nfs/dbraw/zinc/83/19/72/388831972.db2.gz PWCHHZRTXYSYSJ-LLVKDONJSA-N 1 0 241.425 3.708 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000129351203 388834197 /nfs/dbraw/zinc/83/41/97/388834197.db2.gz IEFLWKRJYWEQRE-CYBMUJFWSA-N 1 0 235.396 3.565 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000129351420 388833037 /nfs/dbraw/zinc/83/30/37/388833037.db2.gz IEFLWKRJYWEQRE-ZDUSSCGKSA-N 1 0 235.396 3.565 20 30 BHEDRO C=CCSCC[NH2+][C@@H](CC)c1ccccc1 ZINC000129351635 388834036 /nfs/dbraw/zinc/83/40/36/388834036.db2.gz FTUFPCPLAXFUDC-AWEZNQCLSA-N 1 0 235.396 3.647 20 30 BHEDRO C=CCSCC[NH2+][C@H](CC)c1ccccc1 ZINC000129351830 323174588 /nfs/dbraw/zinc/17/45/88/323174588.db2.gz FTUFPCPLAXFUDC-CQSZACIVSA-N 1 0 235.396 3.647 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000129359456 388833548 /nfs/dbraw/zinc/83/35/48/388833548.db2.gz QGDREWDEAJANMV-LLVKDONJSA-N 1 0 241.425 3.626 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000129359657 388833868 /nfs/dbraw/zinc/83/38/68/388833868.db2.gz QGDREWDEAJANMV-NSHDSACASA-N 1 0 241.425 3.626 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000129366413 388835316 /nfs/dbraw/zinc/83/53/16/388835316.db2.gz MCDSHZFWZKKTAS-CYBMUJFWSA-N 1 0 235.396 3.565 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000129366654 324940251 /nfs/dbraw/zinc/94/02/51/324940251.db2.gz MCDSHZFWZKKTAS-ZDUSSCGKSA-N 1 0 235.396 3.565 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1ccccc1C ZINC000129368730 388835608 /nfs/dbraw/zinc/83/56/08/388835608.db2.gz WLSWDEQPLFFJRX-CYBMUJFWSA-N 1 0 235.396 3.565 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1ccccc1C ZINC000129369018 388835595 /nfs/dbraw/zinc/83/55/95/388835595.db2.gz WLSWDEQPLFFJRX-ZDUSSCGKSA-N 1 0 235.396 3.565 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1sccc1C ZINC000129370163 344213096 /nfs/dbraw/zinc/21/30/96/344213096.db2.gz HIULFCOEZKTROX-LLVKDONJSA-N 1 0 241.425 3.626 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1sccc1C ZINC000129370384 344212826 /nfs/dbraw/zinc/21/28/26/344212826.db2.gz HIULFCOEZKTROX-NSHDSACASA-N 1 0 241.425 3.626 20 30 BHEDRO C=CCSCC[NH2+]C1CCCCCCC1 ZINC000129373663 591286561 /nfs/dbraw/zinc/28/65/61/591286561.db2.gz JXSBVSXUEJTKMP-UHFFFAOYSA-N 1 0 227.417 3.608 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129379407 358585462 /nfs/dbraw/zinc/58/54/62/358585462.db2.gz PWXVXPJDYIFEQG-ZDUSSCGKSA-N 1 0 234.387 3.771 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129379647 358585284 /nfs/dbraw/zinc/58/52/84/358585284.db2.gz PWXVXPJDYIFEQG-CYBMUJFWSA-N 1 0 234.387 3.771 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C)CCCC1)C1CC1 ZINC000129493627 323174621 /nfs/dbraw/zinc/17/46/21/323174621.db2.gz NSMLSBNSMRZKOU-AWEZNQCLSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(C)CCCC1)C1CC1 ZINC000129493828 388848704 /nfs/dbraw/zinc/84/87/04/388848704.db2.gz NSMLSBNSMRZKOU-CQSZACIVSA-N 1 0 221.388 3.901 20 30 BHEDRO CC(C)(C#N)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000129494609 353139556 /nfs/dbraw/zinc/13/95/56/353139556.db2.gz JOQZRPWLBVISQK-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000129596128 353748075 /nfs/dbraw/zinc/74/80/75/353748075.db2.gz CMBMDIICXBZIIA-STQMWFEESA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000129596339 353747877 /nfs/dbraw/zinc/74/78/77/353747877.db2.gz CMBMDIICXBZIIA-OLZOCXBDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccc(C#N)cc1 ZINC000129596551 353748083 /nfs/dbraw/zinc/74/80/83/353748083.db2.gz CMBMDIICXBZIIA-QWHCGFSZSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000129596763 353742963 /nfs/dbraw/zinc/74/29/63/353742963.db2.gz CMBMDIICXBZIIA-CHWSQXEVSA-N 1 0 242.366 3.788 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1sc(CC)nc1C ZINC000129609150 353324729 /nfs/dbraw/zinc/32/47/29/353324729.db2.gz PJXIHXZPRGYZTI-VHSXEESVSA-N 1 0 238.400 3.629 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000129609385 133654721 /nfs/dbraw/zinc/65/47/21/133654721.db2.gz PJXIHXZPRGYZTI-UWVGGRQHSA-N 1 0 238.400 3.629 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1sc(CC)nc1C ZINC000129609620 133654679 /nfs/dbraw/zinc/65/46/79/133654679.db2.gz PJXIHXZPRGYZTI-NXEZZACHSA-N 1 0 238.400 3.629 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000129609819 353325647 /nfs/dbraw/zinc/32/56/47/353325647.db2.gz PJXIHXZPRGYZTI-ZJUUUORDSA-N 1 0 238.400 3.629 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000129622923 388860033 /nfs/dbraw/zinc/86/00/33/388860033.db2.gz IYNIGZCKYPQGPK-IINYFYTJSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000129623153 388860557 /nfs/dbraw/zinc/86/05/57/388860557.db2.gz IYNIGZCKYPQGPK-QMTHXVAHSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000129623366 388860369 /nfs/dbraw/zinc/86/03/69/388860369.db2.gz IYNIGZCKYPQGPK-HZMBPMFUSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000129623562 324968271 /nfs/dbraw/zinc/96/82/71/324968271.db2.gz IYNIGZCKYPQGPK-YGRLFVJLSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000129627651 324968116 /nfs/dbraw/zinc/96/81/16/324968116.db2.gz NOBBIHVQQWTYRB-WFASDCNBSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000129627835 388860318 /nfs/dbraw/zinc/86/03/18/388860318.db2.gz NOBBIHVQQWTYRB-SWLSCSKDSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000129628054 324968092 /nfs/dbraw/zinc/96/80/92/324968092.db2.gz NOBBIHVQQWTYRB-DOMZBBRYSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000129628282 324968055 /nfs/dbraw/zinc/96/80/55/324968055.db2.gz NOBBIHVQQWTYRB-IUODEOHRSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000129631030 324968910 /nfs/dbraw/zinc/96/89/10/324968910.db2.gz DSXMXSQIPFGVMN-QWRGUYRKSA-N 1 0 235.396 3.852 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000129631252 388859383 /nfs/dbraw/zinc/85/93/83/388859383.db2.gz DSXMXSQIPFGVMN-MNOVXSKESA-N 1 0 235.396 3.852 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000129631454 388860052 /nfs/dbraw/zinc/86/00/52/388860052.db2.gz DSXMXSQIPFGVMN-WDEREUQCSA-N 1 0 235.396 3.852 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000129631681 323174753 /nfs/dbraw/zinc/17/47/53/323174753.db2.gz DSXMXSQIPFGVMN-GHMZBOCLSA-N 1 0 235.396 3.852 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000129645327 591347019 /nfs/dbraw/zinc/34/70/19/591347019.db2.gz AWWMZMFQHJJCCY-MJBXVCDLSA-N 1 0 217.356 3.733 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000129645763 591348055 /nfs/dbraw/zinc/34/80/55/591348055.db2.gz AWWMZMFQHJJCCY-BFHYXJOUSA-N 1 0 217.356 3.733 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000129650570 324970547 /nfs/dbraw/zinc/97/05/47/324970547.db2.gz YLLOTHOQSZIXPK-GXTWGEPZSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000129650767 388861305 /nfs/dbraw/zinc/86/13/05/388861305.db2.gz YLLOTHOQSZIXPK-JSGCOSHPSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000129650998 388861979 /nfs/dbraw/zinc/86/19/79/388861979.db2.gz YLLOTHOQSZIXPK-TZMCWYRMSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000129651244 324970469 /nfs/dbraw/zinc/97/04/69/324970469.db2.gz YLLOTHOQSZIXPK-OCCSQVGLSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000129652376 591347560 /nfs/dbraw/zinc/34/75/60/591347560.db2.gz XVJZLBGMDJHMIK-WFASDCNBSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000129652588 591347209 /nfs/dbraw/zinc/34/72/09/591347209.db2.gz XVJZLBGMDJHMIK-SWLSCSKDSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000129652788 591347650 /nfs/dbraw/zinc/34/76/50/591347650.db2.gz XVJZLBGMDJHMIK-DOMZBBRYSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000129653032 591347540 /nfs/dbraw/zinc/34/75/40/591347540.db2.gz XVJZLBGMDJHMIK-IUODEOHRSA-N 1 0 215.340 3.537 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000129757382 591393140 /nfs/dbraw/zinc/39/31/40/591393140.db2.gz SABSDRUBCUFWEX-GFCCVEGCSA-N 1 0 242.149 3.669 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000129757599 591393611 /nfs/dbraw/zinc/39/36/11/591393611.db2.gz SABSDRUBCUFWEX-LBPRGKRZSA-N 1 0 242.149 3.669 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H]1CCCC ZINC000129757823 591393435 /nfs/dbraw/zinc/39/34/35/591393435.db2.gz NJNROBZFAGZSPH-NEPJUHHUSA-N 1 0 215.768 3.687 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000129758034 591393093 /nfs/dbraw/zinc/39/30/93/591393093.db2.gz NJNROBZFAGZSPH-RYUDHWBXSA-N 1 0 215.768 3.687 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000129758212 591392944 /nfs/dbraw/zinc/39/29/44/591392944.db2.gz NJNROBZFAGZSPH-VXGBXAGGSA-N 1 0 215.768 3.687 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000129758402 591393312 /nfs/dbraw/zinc/39/33/12/591393312.db2.gz NJNROBZFAGZSPH-NWDGAFQWSA-N 1 0 215.768 3.687 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000129768456 591401599 /nfs/dbraw/zinc/40/15/99/591401599.db2.gz DEAREFMMIHEKGT-LBPRGKRZSA-N 1 0 237.774 3.695 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000129768663 591401272 /nfs/dbraw/zinc/40/12/72/591401272.db2.gz DEAREFMMIHEKGT-GFCCVEGCSA-N 1 0 237.774 3.695 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000129768761 490168855 /nfs/dbraw/zinc/16/88/55/490168855.db2.gz GULLVTAAZYJYFH-LBPRGKRZSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000129768965 490169862 /nfs/dbraw/zinc/16/98/62/490169862.db2.gz GULLVTAAZYJYFH-GFCCVEGCSA-N 1 0 215.340 3.618 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000129772017 591402532 /nfs/dbraw/zinc/40/25/32/591402532.db2.gz HIYPBMOIXJBENG-LLVKDONJSA-N 1 0 241.737 3.846 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000129772227 591402790 /nfs/dbraw/zinc/40/27/90/591402790.db2.gz HIYPBMOIXJBENG-NSHDSACASA-N 1 0 241.737 3.846 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000129773775 591402630 /nfs/dbraw/zinc/40/26/30/591402630.db2.gz OJWFCYUGDLQPSX-GFCCVEGCSA-N 1 0 242.149 3.669 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000129774015 591402745 /nfs/dbraw/zinc/40/27/45/591402745.db2.gz OJWFCYUGDLQPSX-LBPRGKRZSA-N 1 0 242.149 3.669 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000129781856 591404490 /nfs/dbraw/zinc/40/44/90/591404490.db2.gz YHJWASAXMMZCDU-CQSZACIVSA-N 1 0 235.758 3.715 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000129782046 591404675 /nfs/dbraw/zinc/40/46/75/591404675.db2.gz YHJWASAXMMZCDU-AWEZNQCLSA-N 1 0 235.758 3.715 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000129782637 591404356 /nfs/dbraw/zinc/40/43/56/591404356.db2.gz WBMZFYLMPHXFCY-VIFPVBQESA-N 1 0 241.787 3.640 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000129782858 591404724 /nfs/dbraw/zinc/40/47/24/591404724.db2.gz WBMZFYLMPHXFCY-SECBINFHSA-N 1 0 241.787 3.640 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000129795033 591405965 /nfs/dbraw/zinc/40/59/65/591405965.db2.gz BPVKNDANAQIBRB-MFKMUULPSA-N 1 0 235.758 3.885 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000129795215 591405450 /nfs/dbraw/zinc/40/54/50/591405450.db2.gz BPVKNDANAQIBRB-GWCFXTLKSA-N 1 0 235.758 3.885 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000129795470 591405958 /nfs/dbraw/zinc/40/59/58/591405958.db2.gz BPVKNDANAQIBRB-ZWNOBZJWSA-N 1 0 235.758 3.885 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000129795655 591405920 /nfs/dbraw/zinc/40/59/20/591405920.db2.gz BPVKNDANAQIBRB-GXFFZTMASA-N 1 0 235.758 3.885 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000129799459 591404980 /nfs/dbraw/zinc/40/49/80/591404980.db2.gz KAVNALPUUKPDEO-VXGBXAGGSA-N 1 0 223.747 3.521 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000129799686 591405972 /nfs/dbraw/zinc/40/59/72/591405972.db2.gz KAVNALPUUKPDEO-NWDGAFQWSA-N 1 0 223.747 3.521 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000129799872 591405417 /nfs/dbraw/zinc/40/54/17/591405417.db2.gz KAVNALPUUKPDEO-NEPJUHHUSA-N 1 0 223.747 3.521 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000129800091 591405783 /nfs/dbraw/zinc/40/57/83/591405783.db2.gz KAVNALPUUKPDEO-RYUDHWBXSA-N 1 0 223.747 3.521 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000129805988 591410596 /nfs/dbraw/zinc/41/05/96/591410596.db2.gz JFUJEPPVUZSSGV-GFCCVEGCSA-N 1 0 223.747 3.707 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000129806217 591409888 /nfs/dbraw/zinc/40/98/88/591409888.db2.gz JFUJEPPVUZSSGV-LBPRGKRZSA-N 1 0 223.747 3.707 20 30 BHEDRO CC(C)CC[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000129831916 387020548 /nfs/dbraw/zinc/02/05/48/387020548.db2.gz BJDAPJLANUUVEI-UHFFFAOYSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)CC[N@H+](CC(C)(C)CCC#N)C1CC1 ZINC000129834221 387029369 /nfs/dbraw/zinc/02/93/69/387029369.db2.gz LFLCMCMBOBVEBQ-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H](C#N)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000129887303 323009625 /nfs/dbraw/zinc/00/96/25/323009625.db2.gz JJMZSQSHSMMELI-IYXRBSQSSA-N 1 0 236.403 3.588 20 30 BHEDRO C[C@@H](C#N)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000129887553 388874772 /nfs/dbraw/zinc/87/47/72/388874772.db2.gz JJMZSQSHSMMELI-HSBZDZAISA-N 1 0 236.403 3.588 20 30 BHEDRO C=C(C[NH2+]CCC(C)(C)C)c1ccccc1 ZINC000130009210 353339506 /nfs/dbraw/zinc/33/95/06/353339506.db2.gz NCWSVEGSQKURKW-UHFFFAOYSA-N 1 0 217.356 3.726 20 30 BHEDRO CCCCCCCC[NH2+]C1CCC(OC)CC1 ZINC000130102614 591438418 /nfs/dbraw/zinc/43/84/18/591438418.db2.gz LESKPNDXCPVPKS-UHFFFAOYSA-N 1 0 241.419 3.894 20 30 BHEDRO C#CCCCC[NH2+]Cc1ccc(Cl)cc1C ZINC000130138293 591441889 /nfs/dbraw/zinc/44/18/89/591441889.db2.gz PDIBDBUROBYHLT-UHFFFAOYSA-N 1 0 235.758 3.542 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130190517 591447545 /nfs/dbraw/zinc/44/75/45/591447545.db2.gz ARRJFDJQCQTPJM-NWDGAFQWSA-N 1 0 247.304 3.501 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130190752 591447840 /nfs/dbraw/zinc/44/78/40/591447840.db2.gz ARRJFDJQCQTPJM-RYUDHWBXSA-N 1 0 247.304 3.501 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000130190981 591447971 /nfs/dbraw/zinc/44/79/71/591447971.db2.gz ARRJFDJQCQTPJM-VXGBXAGGSA-N 1 0 247.304 3.501 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000130191182 591447957 /nfs/dbraw/zinc/44/79/57/591447957.db2.gz ARRJFDJQCQTPJM-NEPJUHHUSA-N 1 0 247.304 3.501 20 30 BHEDRO N#Cc1ccc(C[N@H+](C2CC2)C2CCCC2)s1 ZINC000130223461 325026138 /nfs/dbraw/zinc/02/61/38/325026138.db2.gz SLJQPBGVKMIANV-UHFFFAOYSA-N 1 0 246.379 3.527 20 30 BHEDRO N#Cc1csc(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000130228177 325026276 /nfs/dbraw/zinc/02/62/76/325026276.db2.gz KWVMPIIGDKFQJX-UHFFFAOYSA-N 1 0 246.379 3.527 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000130362337 325045024 /nfs/dbraw/zinc/04/50/24/325045024.db2.gz GDTUUWRRARXCQI-YWPYICTPSA-N 1 0 245.366 3.570 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000130362758 364091297 /nfs/dbraw/zinc/09/12/97/364091297.db2.gz GDTUUWRRARXCQI-SLEUVZQESA-N 1 0 245.366 3.570 20 30 BHEDRO CCCCCCCCC[N@H+](C)C1CCOCC1 ZINC000130408995 591465413 /nfs/dbraw/zinc/46/54/13/591465413.db2.gz FOKRHZMJJZVCHR-UHFFFAOYSA-N 1 0 241.419 3.848 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000130414588 591465374 /nfs/dbraw/zinc/46/53/74/591465374.db2.gz KKZFXELEIUDHPW-JTQLQIEISA-N 1 0 241.787 3.856 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000130414806 591465835 /nfs/dbraw/zinc/46/58/35/591465835.db2.gz KKZFXELEIUDHPW-SNVBAGLBSA-N 1 0 241.787 3.856 20 30 BHEDRO C=CCC[NH2+]C(C)(C)CCc1ccccc1 ZINC000130425992 325051235 /nfs/dbraw/zinc/05/12/35/325051235.db2.gz QQRCHLHMAASAOS-UHFFFAOYSA-N 1 0 217.356 3.564 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000130438292 325051983 /nfs/dbraw/zinc/05/19/83/325051983.db2.gz NFKZHSKTMXLYJA-QMMMGPOBSA-N 1 0 230.138 3.658 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000130438551 385039183 /nfs/dbraw/zinc/03/91/83/385039183.db2.gz NFKZHSKTMXLYJA-MRVPVSSYSA-N 1 0 230.138 3.658 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000130444085 325052621 /nfs/dbraw/zinc/05/26/21/325052621.db2.gz CYMMYNPTMVOBLZ-LBPRGKRZSA-N 1 0 217.356 3.648 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000130444305 325052678 /nfs/dbraw/zinc/05/26/78/325052678.db2.gz CYMMYNPTMVOBLZ-GFCCVEGCSA-N 1 0 217.356 3.648 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000130457221 325052985 /nfs/dbraw/zinc/05/29/85/325052985.db2.gz WYSKDJXAXVCELF-QMMMGPOBSA-N 1 0 230.138 3.658 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000130457446 325053791 /nfs/dbraw/zinc/05/37/91/325053791.db2.gz WYSKDJXAXVCELF-MRVPVSSYSA-N 1 0 230.138 3.658 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000130457659 325054090 /nfs/dbraw/zinc/05/40/90/325054090.db2.gz IPPUNZKHIXSIKJ-QMMMGPOBSA-N 1 0 230.138 3.658 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000130457870 325053749 /nfs/dbraw/zinc/05/37/49/325053749.db2.gz IPPUNZKHIXSIKJ-MRVPVSSYSA-N 1 0 230.138 3.658 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1csc2ccccc12 ZINC000130477654 322962739 /nfs/dbraw/zinc/96/27/39/322962739.db2.gz GWNKPVFYDFULEC-JTQLQIEISA-N 1 0 217.337 3.565 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1csc2ccccc12 ZINC000130477847 325056282 /nfs/dbraw/zinc/05/62/82/325056282.db2.gz GWNKPVFYDFULEC-SNVBAGLBSA-N 1 0 217.337 3.565 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000130483978 325057213 /nfs/dbraw/zinc/05/72/13/325057213.db2.gz FHHNXEPVVOXSLJ-QMMMGPOBSA-N 1 0 230.138 3.658 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000130484197 325057449 /nfs/dbraw/zinc/05/74/49/325057449.db2.gz FHHNXEPVVOXSLJ-MRVPVSSYSA-N 1 0 230.138 3.658 20 30 BHEDRO CC(C)(C)[N@H+](CCCCC#N)Cc1ccccc1 ZINC000130489831 385253848 /nfs/dbraw/zinc/25/38/48/385253848.db2.gz VVPUPGOGQLCPKO-UHFFFAOYSA-N 1 0 244.382 3.981 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000130499442 325059109 /nfs/dbraw/zinc/05/91/09/325059109.db2.gz GJXMNZGVLILAGG-LBPRGKRZSA-N 1 0 211.308 3.504 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000130499680 325058827 /nfs/dbraw/zinc/05/88/27/325058827.db2.gz GJXMNZGVLILAGG-GFCCVEGCSA-N 1 0 211.308 3.504 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000130507061 325059037 /nfs/dbraw/zinc/05/90/37/325059037.db2.gz GNMRKIINTCYPSK-GJZGRUSLSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000130507269 325058806 /nfs/dbraw/zinc/05/88/06/325058806.db2.gz GNMRKIINTCYPSK-CABCVRRESA-N 1 0 231.383 3.952 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000130507496 325058674 /nfs/dbraw/zinc/05/86/74/325058674.db2.gz GNMRKIINTCYPSK-LSDHHAIUSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000130507713 325058906 /nfs/dbraw/zinc/05/89/06/325058906.db2.gz GNMRKIINTCYPSK-HUUCEWRRSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000130510131 359792392 /nfs/dbraw/zinc/79/23/92/359792392.db2.gz OMTVFNJDQIQUSO-ZDUSSCGKSA-N 1 0 242.366 3.655 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000130510347 325060888 /nfs/dbraw/zinc/06/08/88/325060888.db2.gz OMTVFNJDQIQUSO-CYBMUJFWSA-N 1 0 242.366 3.655 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1COCC ZINC000130537275 325064372 /nfs/dbraw/zinc/06/43/72/325064372.db2.gz YHOBNRWLMNLITK-AWEZNQCLSA-N 1 0 247.382 3.667 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1COCC ZINC000130537481 325064428 /nfs/dbraw/zinc/06/44/28/325064428.db2.gz YHOBNRWLMNLITK-CQSZACIVSA-N 1 0 247.382 3.667 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000130548941 325065691 /nfs/dbraw/zinc/06/56/91/325065691.db2.gz PTGYYDSGEJYKPX-AWEZNQCLSA-N 1 0 231.383 3.909 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000130549166 325065808 /nfs/dbraw/zinc/06/58/08/325065808.db2.gz PTGYYDSGEJYKPX-CQSZACIVSA-N 1 0 231.383 3.909 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(OCC)c1 ZINC000130554704 325066360 /nfs/dbraw/zinc/06/63/60/325066360.db2.gz UNNQPSJURWUJNI-ZDUSSCGKSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(OCC)c1 ZINC000130554944 325066735 /nfs/dbraw/zinc/06/67/35/325066735.db2.gz UNNQPSJURWUJNI-CYBMUJFWSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCc2c1cccc2O ZINC000130562167 325067371 /nfs/dbraw/zinc/06/73/71/325067371.db2.gz RDTYXGSMRZOLAI-SWLSCSKDSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCc2c1cccc2O ZINC000130562402 325067347 /nfs/dbraw/zinc/06/73/47/325067347.db2.gz RDTYXGSMRZOLAI-IUODEOHRSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCc2c1cccc2O ZINC000130562613 325067174 /nfs/dbraw/zinc/06/71/74/325067174.db2.gz RDTYXGSMRZOLAI-WFASDCNBSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCc2c1cccc2O ZINC000130562828 325067433 /nfs/dbraw/zinc/06/74/33/325067433.db2.gz RDTYXGSMRZOLAI-DOMZBBRYSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000130570712 591483280 /nfs/dbraw/zinc/48/32/80/591483280.db2.gz UNBADASNPXSOAJ-LSDHHAIUSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000130570945 591483458 /nfs/dbraw/zinc/48/34/58/591483458.db2.gz UNBADASNPXSOAJ-GJZGRUSLSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000130571121 591483979 /nfs/dbraw/zinc/48/39/79/591483979.db2.gz UNBADASNPXSOAJ-HUUCEWRRSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000130571358 591484093 /nfs/dbraw/zinc/48/40/93/591484093.db2.gz UNBADASNPXSOAJ-CABCVRRESA-N 1 0 247.382 3.707 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000130572476 353358355 /nfs/dbraw/zinc/35/83/55/353358355.db2.gz ZXDCIUZBKSOUDV-ZDUSSCGKSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000130572709 353358263 /nfs/dbraw/zinc/35/82/63/353358263.db2.gz ZXDCIUZBKSOUDV-CYBMUJFWSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000130574565 353358140 /nfs/dbraw/zinc/35/81/40/353358140.db2.gz PJGDWIVBELGNRP-KBPBESRZSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000130574769 325067684 /nfs/dbraw/zinc/06/76/84/325067684.db2.gz PJGDWIVBELGNRP-KGLIPLIRSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000130574963 325068010 /nfs/dbraw/zinc/06/80/10/325068010.db2.gz PJGDWIVBELGNRP-UONOGXRCSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000130575150 325067896 /nfs/dbraw/zinc/06/78/96/325067896.db2.gz PJGDWIVBELGNRP-ZIAGYGMSSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000130580693 325068496 /nfs/dbraw/zinc/06/84/96/325068496.db2.gz ZNROEXVMNVLCFF-ZDUSSCGKSA-N 1 0 235.346 3.621 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000130580872 325068893 /nfs/dbraw/zinc/06/88/93/325068893.db2.gz ZNROEXVMNVLCFF-CYBMUJFWSA-N 1 0 235.346 3.621 20 30 BHEDRO C=CCC[C@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000130600743 353358123 /nfs/dbraw/zinc/35/81/23/353358123.db2.gz DDNURMRESXFCRR-ZDUSSCGKSA-N 1 0 232.371 3.515 20 30 BHEDRO C=CCC[C@@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000130600984 353358088 /nfs/dbraw/zinc/35/80/88/353358088.db2.gz DDNURMRESXFCRR-CYBMUJFWSA-N 1 0 232.371 3.515 20 30 BHEDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130661789 325077888 /nfs/dbraw/zinc/07/78/88/325077888.db2.gz JDBKZHLCFACJGQ-NEPJUHHUSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130661994 325078005 /nfs/dbraw/zinc/07/80/05/325078005.db2.gz JDBKZHLCFACJGQ-RYUDHWBXSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130662223 325077535 /nfs/dbraw/zinc/07/75/35/325077535.db2.gz JDBKZHLCFACJGQ-VXGBXAGGSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130662454 325077986 /nfs/dbraw/zinc/07/79/86/325077986.db2.gz JDBKZHLCFACJGQ-NWDGAFQWSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000130672039 325079143 /nfs/dbraw/zinc/07/91/43/325079143.db2.gz CIRIEXCRCWSHJX-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CCC[C@H]([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000130672252 323011776 /nfs/dbraw/zinc/01/17/76/323011776.db2.gz CIRIEXCRCWSHJX-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000130672425 325079047 /nfs/dbraw/zinc/07/90/47/325079047.db2.gz CIRIEXCRCWSHJX-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CCC[C@@H]([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000130672650 325079504 /nfs/dbraw/zinc/07/95/04/325079504.db2.gz CIRIEXCRCWSHJX-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1ccccc1 ZINC000130692028 591501740 /nfs/dbraw/zinc/50/17/40/591501740.db2.gz DTPPERNBTFSXCY-HNNXBMFYSA-N 1 0 215.340 3.531 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1ccccc1 ZINC000130692246 591502070 /nfs/dbraw/zinc/50/20/70/591502070.db2.gz DTPPERNBTFSXCY-OAHLLOKOSA-N 1 0 215.340 3.531 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000130725124 591510379 /nfs/dbraw/zinc/51/03/79/591510379.db2.gz ZGYGHXQVXZOGNW-LBPRGKRZSA-N 1 0 235.758 3.794 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000130725292 591510771 /nfs/dbraw/zinc/51/07/71/591510771.db2.gz ZGYGHXQVXZOGNW-GFCCVEGCSA-N 1 0 235.758 3.794 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC[C@H]1CCCC ZINC000130732760 591512524 /nfs/dbraw/zinc/51/25/24/591512524.db2.gz UTJJKTJLNZACLG-CABCVRRESA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000130732968 591512286 /nfs/dbraw/zinc/51/22/86/591512286.db2.gz UTJJKTJLNZACLG-GJZGRUSLSA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000130733185 591512834 /nfs/dbraw/zinc/51/28/34/591512834.db2.gz UTJJKTJLNZACLG-HUUCEWRRSA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000130733408 591512731 /nfs/dbraw/zinc/51/27/31/591512731.db2.gz UTJJKTJLNZACLG-LSDHHAIUSA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000130733805 591512483 /nfs/dbraw/zinc/51/24/83/591512483.db2.gz WWPDBLLRLZMKOQ-KGLIPLIRSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000130733994 591512611 /nfs/dbraw/zinc/51/26/11/591512611.db2.gz WWPDBLLRLZMKOQ-KBPBESRZSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000130734223 591512781 /nfs/dbraw/zinc/51/27/81/591512781.db2.gz WWPDBLLRLZMKOQ-ZIAGYGMSSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000130734416 591512651 /nfs/dbraw/zinc/51/26/51/591512651.db2.gz WWPDBLLRLZMKOQ-UONOGXRCSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000130735522 591512399 /nfs/dbraw/zinc/51/23/99/591512399.db2.gz VUPMQSLFTONLLP-GJZGRUSLSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000130735753 591512034 /nfs/dbraw/zinc/51/20/34/591512034.db2.gz VUPMQSLFTONLLP-CABCVRRESA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000130735934 591513394 /nfs/dbraw/zinc/51/33/94/591513394.db2.gz VUPMQSLFTONLLP-LSDHHAIUSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000130736107 591513132 /nfs/dbraw/zinc/51/31/32/591513132.db2.gz VUPMQSLFTONLLP-HUUCEWRRSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)C1CCCCC1 ZINC000130738005 591514753 /nfs/dbraw/zinc/51/47/53/591514753.db2.gz SDVNJWSIXAWTEO-HNNXBMFYSA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)C1CCCCC1 ZINC000130738184 591513686 /nfs/dbraw/zinc/51/36/86/591513686.db2.gz SDVNJWSIXAWTEO-OAHLLOKOSA-N 1 0 221.388 3.738 20 30 BHEDRO N#CCCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000130742532 134622417 /nfs/dbraw/zinc/62/24/17/134622417.db2.gz UQNBNFVCEJLVDQ-UHFFFAOYSA-N 1 0 242.366 3.739 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000130750620 591514459 /nfs/dbraw/zinc/51/44/59/591514459.db2.gz RVEPBLBHGHRHAK-LBPRGKRZSA-N 1 0 235.758 3.794 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCC1CCCC1 ZINC000130750787 591514326 /nfs/dbraw/zinc/51/43/26/591514326.db2.gz DNGUCDIGSCQNIZ-AWEZNQCLSA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000130750814 591514868 /nfs/dbraw/zinc/51/48/68/591514868.db2.gz RVEPBLBHGHRHAK-GFCCVEGCSA-N 1 0 235.758 3.794 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCC1CCCC1 ZINC000130750958 591514165 /nfs/dbraw/zinc/51/41/65/591514165.db2.gz DNGUCDIGSCQNIZ-CQSZACIVSA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000130765579 591518505 /nfs/dbraw/zinc/51/85/05/591518505.db2.gz SAPVCUFJUZIOTK-HNNXBMFYSA-N 1 0 233.330 3.670 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000130765787 591517558 /nfs/dbraw/zinc/51/75/58/591517558.db2.gz SAPVCUFJUZIOTK-OAHLLOKOSA-N 1 0 233.330 3.670 20 30 BHEDRO C=C(C)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000130776800 591519172 /nfs/dbraw/zinc/51/91/72/591519172.db2.gz ZSJFURBREPXYRI-CQSZACIVSA-N 1 0 243.350 3.599 20 30 BHEDRO C=C(C)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000130777033 591519792 /nfs/dbraw/zinc/51/97/92/591519792.db2.gz ZSJFURBREPXYRI-AWEZNQCLSA-N 1 0 243.350 3.599 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)C1CCC1 ZINC000130816860 325091405 /nfs/dbraw/zinc/09/14/05/325091405.db2.gz ZDEXGTFVYFCFGG-ZDUSSCGKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)C1CCC1 ZINC000130817086 325091506 /nfs/dbraw/zinc/09/15/06/325091506.db2.gz ZDEXGTFVYFCFGG-CYBMUJFWSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)C(C)(C)C ZINC000130817780 325091759 /nfs/dbraw/zinc/09/17/59/325091759.db2.gz URNICOWQTYKRMZ-ZDUSSCGKSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)C(C)(C)C ZINC000130818045 325091467 /nfs/dbraw/zinc/09/14/67/325091467.db2.gz URNICOWQTYKRMZ-CYBMUJFWSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1nc(C)cs1 ZINC000130964789 358654348 /nfs/dbraw/zinc/65/43/48/358654348.db2.gz RKFQOSSQNJYHAH-UHFFFAOYSA-N 1 0 238.400 3.630 20 30 BHEDRO CC[C@H]([NH2+]CCCCC#N)c1ccc(C)cc1 ZINC000131043716 535900538 /nfs/dbraw/zinc/90/05/38/535900538.db2.gz NTUYSCMRGQNLCV-HNNXBMFYSA-N 1 0 230.355 3.730 20 30 BHEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccc(C)cc1 ZINC000131043928 385301333 /nfs/dbraw/zinc/30/13/33/385301333.db2.gz NTUYSCMRGQNLCV-OAHLLOKOSA-N 1 0 230.355 3.730 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000131106846 353362458 /nfs/dbraw/zinc/36/24/58/353362458.db2.gz XVJJBKHVRKSEBN-CQSZACIVSA-N 1 0 249.354 3.529 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000131134704 385071795 /nfs/dbraw/zinc/07/17/95/385071795.db2.gz MCGPOHKDYSOOTE-VIFPVBQESA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000131134894 325120561 /nfs/dbraw/zinc/12/05/61/325120561.db2.gz MCGPOHKDYSOOTE-SECBINFHSA-N 1 0 227.710 3.533 20 30 BHEDRO C[C@@H](c1ccco1)[N@H+](C)CC(C)(C)CCC#N ZINC000131152926 385312807 /nfs/dbraw/zinc/31/28/07/385312807.db2.gz WEVXKOMHQNOSRE-LBPRGKRZSA-N 1 0 234.343 3.602 20 30 BHEDRO C[C@H](c1ccco1)[N@H+](C)CC(C)(C)CCC#N ZINC000131153140 385312386 /nfs/dbraw/zinc/31/23/86/385312386.db2.gz WEVXKOMHQNOSRE-GFCCVEGCSA-N 1 0 234.343 3.602 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000131184595 325124031 /nfs/dbraw/zinc/12/40/31/325124031.db2.gz HWXPACKKPOVXEE-HIFRSBDPSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000131184803 325123830 /nfs/dbraw/zinc/12/38/30/325123830.db2.gz HWXPACKKPOVXEE-ZFWWWQNUSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000131184998 325123556 /nfs/dbraw/zinc/12/35/56/325123556.db2.gz HWXPACKKPOVXEE-UKRRQHHQSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000131185191 325123670 /nfs/dbraw/zinc/12/36/70/325123670.db2.gz HWXPACKKPOVXEE-DZGCQCFKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCCC(F)(F)F ZINC000131315670 325136295 /nfs/dbraw/zinc/13/62/95/325136295.db2.gz NDILHWVPOBZOHC-UHFFFAOYSA-N 1 0 223.282 3.617 20 30 BHEDRO CC(C)(C)[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000131337049 325137922 /nfs/dbraw/zinc/13/79/22/325137922.db2.gz DTVRCJXPPFSWGM-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)(C)[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000131337217 387785064 /nfs/dbraw/zinc/78/50/64/387785064.db2.gz DTVRCJXPPFSWGM-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO CCC[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000131457716 325153381 /nfs/dbraw/zinc/15/33/81/325153381.db2.gz TWTNXJXTABAZHE-GFCCVEGCSA-N 1 0 248.395 3.632 20 30 BHEDRO CCC[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000131457919 325153474 /nfs/dbraw/zinc/15/34/74/325153474.db2.gz TWTNXJXTABAZHE-LBPRGKRZSA-N 1 0 248.395 3.632 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000131609755 325169851 /nfs/dbraw/zinc/16/98/51/325169851.db2.gz HZFWGENUGNIQRU-INIZCTEOSA-N 1 0 246.398 3.749 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000131609965 325169475 /nfs/dbraw/zinc/16/94/75/325169475.db2.gz HZFWGENUGNIQRU-MRXNPFEDSA-N 1 0 246.398 3.749 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1ccc2ccccc2c1 ZINC000131655208 591635780 /nfs/dbraw/zinc/63/57/80/591635780.db2.gz LGCMKTOQZNVMTJ-UHFFFAOYSA-N 1 0 231.726 3.682 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000131681656 191016044 /nfs/dbraw/zinc/01/60/44/191016044.db2.gz BNUHZEMOWICSJY-GFCCVEGCSA-N 1 0 229.323 3.968 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000131681849 191016557 /nfs/dbraw/zinc/01/65/57/191016557.db2.gz BNUHZEMOWICSJY-LBPRGKRZSA-N 1 0 229.323 3.968 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000131710564 191016298 /nfs/dbraw/zinc/01/62/98/191016298.db2.gz GPUAWVOZHPREQJ-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=CCOc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000131714380 386208391 /nfs/dbraw/zinc/20/83/91/386208391.db2.gz KXNYKZGVBSMSOR-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CCC(C)(C)C ZINC000131715239 191015938 /nfs/dbraw/zinc/01/59/38/191015938.db2.gz OITNFSNMNFVCQE-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(C)(C)C#N ZINC000131716931 344325524 /nfs/dbraw/zinc/32/55/24/344325524.db2.gz BFEBGNUKVGZHGK-RDBSUJKOSA-N 1 0 234.387 3.579 20 30 BHEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCC(C)(C)C#N ZINC000131717362 344325476 /nfs/dbraw/zinc/32/54/76/344325476.db2.gz BFEBGNUKVGZHGK-MCIONIFRSA-N 1 0 234.387 3.579 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccco1 ZINC000131926111 191018490 /nfs/dbraw/zinc/01/84/90/191018490.db2.gz PHKFRIFSRTYWOH-LBPRGKRZSA-N 1 0 207.317 3.504 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccco1 ZINC000131926281 191018514 /nfs/dbraw/zinc/01/85/14/191018514.db2.gz PHKFRIFSRTYWOH-GFCCVEGCSA-N 1 0 207.317 3.504 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccsc1 ZINC000131926471 191018923 /nfs/dbraw/zinc/01/89/23/191018923.db2.gz ICLKKYQLTMSOPJ-LBPRGKRZSA-N 1 0 223.385 3.973 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccsc1 ZINC000131926675 191018470 /nfs/dbraw/zinc/01/84/70/191018470.db2.gz ICLKKYQLTMSOPJ-GFCCVEGCSA-N 1 0 223.385 3.973 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC000131927751 353375878 /nfs/dbraw/zinc/37/58/78/353375878.db2.gz DCENNAICPOFMLE-NSHDSACASA-N 1 0 238.400 3.676 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC000131927969 344239959 /nfs/dbraw/zinc/23/99/59/344239959.db2.gz DCENNAICPOFMLE-LLVKDONJSA-N 1 0 238.400 3.676 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccs1 ZINC000131928637 191018816 /nfs/dbraw/zinc/01/88/16/191018816.db2.gz ZKJOYQFPFIMRFF-LBPRGKRZSA-N 1 0 223.385 3.973 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccs1 ZINC000131928842 191018604 /nfs/dbraw/zinc/01/86/04/191018604.db2.gz ZKJOYQFPFIMRFF-GFCCVEGCSA-N 1 0 223.385 3.973 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccoc1 ZINC000131929451 344239649 /nfs/dbraw/zinc/23/96/49/344239649.db2.gz QRPUJYRCRQKUNY-LBPRGKRZSA-N 1 0 207.317 3.504 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccoc1 ZINC000131929638 344239966 /nfs/dbraw/zinc/23/99/66/344239966.db2.gz QRPUJYRCRQKUNY-GFCCVEGCSA-N 1 0 207.317 3.504 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1occc1C ZINC000131929853 191018545 /nfs/dbraw/zinc/01/85/45/191018545.db2.gz VWERLSIQFIIRDN-ZDUSSCGKSA-N 1 0 221.344 3.813 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1occc1C ZINC000131930071 191018296 /nfs/dbraw/zinc/01/82/96/191018296.db2.gz VWERLSIQFIIRDN-CYBMUJFWSA-N 1 0 221.344 3.813 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000131930295 491127054 /nfs/dbraw/zinc/12/70/54/491127054.db2.gz GHWGCVUPWNNXCM-NSHDSACASA-N 1 0 238.400 3.676 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000131930511 491134194 /nfs/dbraw/zinc/13/41/94/491134194.db2.gz GHWGCVUPWNNXCM-LLVKDONJSA-N 1 0 238.400 3.676 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC000131932464 344240115 /nfs/dbraw/zinc/24/01/15/344240115.db2.gz ABIYPPOENOHYTC-NSHDSACASA-N 1 0 238.400 3.676 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1scnc1C ZINC000131932862 191018732 /nfs/dbraw/zinc/01/87/32/191018732.db2.gz RLQQGGCNHLJTPI-NSHDSACASA-N 1 0 238.400 3.676 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1scnc1C ZINC000131933097 191018293 /nfs/dbraw/zinc/01/82/93/191018293.db2.gz RLQQGGCNHLJTPI-LLVKDONJSA-N 1 0 238.400 3.676 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC000131933330 491134174 /nfs/dbraw/zinc/13/41/74/491134174.db2.gz CSVBJPBWYQWYKB-LBPRGKRZSA-N 1 0 221.344 3.813 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC000131933541 491134192 /nfs/dbraw/zinc/13/41/92/491134192.db2.gz CSVBJPBWYQWYKB-GFCCVEGCSA-N 1 0 221.344 3.813 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000131966689 191019518 /nfs/dbraw/zinc/01/95/18/191019518.db2.gz GDZLDWHBJJJWLV-RYUDHWBXSA-N 1 0 237.774 3.825 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000131966887 191019386 /nfs/dbraw/zinc/01/93/86/191019386.db2.gz GDZLDWHBJJJWLV-NEPJUHHUSA-N 1 0 237.774 3.825 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000131967134 191019478 /nfs/dbraw/zinc/01/94/78/191019478.db2.gz GDZLDWHBJJJWLV-NWDGAFQWSA-N 1 0 237.774 3.825 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000131967354 191019216 /nfs/dbraw/zinc/01/92/16/191019216.db2.gz GDZLDWHBJJJWLV-VXGBXAGGSA-N 1 0 237.774 3.825 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000131968833 591680648 /nfs/dbraw/zinc/68/06/48/591680648.db2.gz BGIXRDQAOLPERQ-JTQLQIEISA-N 1 0 244.165 3.613 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000131969014 583835627 /nfs/dbraw/zinc/83/56/27/583835627.db2.gz BGIXRDQAOLPERQ-SNVBAGLBSA-N 1 0 244.165 3.613 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000131969234 591681314 /nfs/dbraw/zinc/68/13/14/591681314.db2.gz RWZNUTMXBQLADA-CQSZACIVSA-N 1 0 235.758 3.788 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000131969418 591681196 /nfs/dbraw/zinc/68/11/96/591681196.db2.gz RWZNUTMXBQLADA-AWEZNQCLSA-N 1 0 235.758 3.788 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000131996441 491134429 /nfs/dbraw/zinc/13/44/29/491134429.db2.gz HVPCGOUUUPEVNK-QWRGUYRKSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000131996685 491134452 /nfs/dbraw/zinc/13/44/52/491134452.db2.gz HVPCGOUUUPEVNK-MNOVXSKESA-N 1 0 209.358 3.753 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000131996870 491134443 /nfs/dbraw/zinc/13/44/43/491134443.db2.gz HVPCGOUUUPEVNK-WDEREUQCSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000131997056 491134472 /nfs/dbraw/zinc/13/44/72/491134472.db2.gz HVPCGOUUUPEVNK-GHMZBOCLSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000131999074 591681925 /nfs/dbraw/zinc/68/19/25/591681925.db2.gz BZOOOABWMHGLEL-RYUDHWBXSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000131999272 591681967 /nfs/dbraw/zinc/68/19/67/591681967.db2.gz BZOOOABWMHGLEL-NEPJUHHUSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000131999483 591682609 /nfs/dbraw/zinc/68/26/09/591682609.db2.gz BZOOOABWMHGLEL-NWDGAFQWSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000131999686 591682002 /nfs/dbraw/zinc/68/20/02/591682002.db2.gz BZOOOABWMHGLEL-VXGBXAGGSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000132007391 325194643 /nfs/dbraw/zinc/19/46/43/325194643.db2.gz BGIHAVNVNFKZLK-RYUDHWBXSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000132007597 325194708 /nfs/dbraw/zinc/19/47/08/325194708.db2.gz BGIHAVNVNFKZLK-NEPJUHHUSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1CCSCC1 ZINC000132009875 191101132 /nfs/dbraw/zinc/10/11/32/191101132.db2.gz PLNXEWXKWSKPLX-LBPRGKRZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C1CCSCC1 ZINC000132010094 191883374 /nfs/dbraw/zinc/88/33/74/191883374.db2.gz PLNXEWXKWSKPLX-GFCCVEGCSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000132010323 343187183 /nfs/dbraw/zinc/18/71/83/343187183.db2.gz SQECRMORNDKZHD-RYUDHWBXSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000132010554 343187143 /nfs/dbraw/zinc/18/71/43/343187143.db2.gz SQECRMORNDKZHD-NEPJUHHUSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000132010778 343187524 /nfs/dbraw/zinc/18/75/24/343187524.db2.gz SQECRMORNDKZHD-NWDGAFQWSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000132010988 343187154 /nfs/dbraw/zinc/18/71/54/343187154.db2.gz SQECRMORNDKZHD-VXGBXAGGSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cscc1C ZINC000132027962 344267827 /nfs/dbraw/zinc/26/78/27/344267827.db2.gz IFMZDRSAPWZTTI-NSHDSACASA-N 1 0 209.358 3.501 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cscc1C ZINC000132028181 134639432 /nfs/dbraw/zinc/63/94/32/134639432.db2.gz IFMZDRSAPWZTTI-LLVKDONJSA-N 1 0 209.358 3.501 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000132040027 386218465 /nfs/dbraw/zinc/21/84/65/386218465.db2.gz CAKOMFQPDPWSDG-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000132040246 191023287 /nfs/dbraw/zinc/02/32/87/191023287.db2.gz CAKOMFQPDPWSDG-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000132040445 191023281 /nfs/dbraw/zinc/02/32/81/191023281.db2.gz CAKOMFQPDPWSDG-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000132040657 191882725 /nfs/dbraw/zinc/88/27/25/191882725.db2.gz CAKOMFQPDPWSDG-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO CC[C@H]([NH2+]CCCC#N)c1cccc(Cl)c1 ZINC000132056445 345314672 /nfs/dbraw/zinc/31/46/72/345314672.db2.gz JXEMDJQRPCQMIP-ZDUSSCGKSA-N 1 0 236.746 3.684 20 30 BHEDRO CC[C@@H]([NH2+]CCCC#N)c1cccc(Cl)c1 ZINC000132056633 345314774 /nfs/dbraw/zinc/31/47/74/345314774.db2.gz JXEMDJQRPCQMIP-CYBMUJFWSA-N 1 0 236.746 3.684 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000132123323 591689128 /nfs/dbraw/zinc/68/91/28/591689128.db2.gz WOHJKSZPWHTSKW-DLBZAZTESA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000132123495 591688669 /nfs/dbraw/zinc/68/86/69/591688669.db2.gz WOHJKSZPWHTSKW-IRXDYDNUSA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000132123676 591689609 /nfs/dbraw/zinc/68/96/09/591689609.db2.gz WOHJKSZPWHTSKW-IAGOWNOFSA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000132123869 591689459 /nfs/dbraw/zinc/68/94/59/591689459.db2.gz WOHJKSZPWHTSKW-SJORKVTESA-N 1 0 241.378 3.716 20 30 BHEDRO Cc1cccc(C)c1C[NH2+]CC(C)(C)CCC#N ZINC000132139886 344378841 /nfs/dbraw/zinc/37/88/41/344378841.db2.gz NLVGAEDKHYRYQP-UHFFFAOYSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000132207111 191027917 /nfs/dbraw/zinc/02/79/17/191027917.db2.gz OYOCKUCISGYFQW-QWHCGFSZSA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000132207301 191027189 /nfs/dbraw/zinc/02/71/89/191027189.db2.gz OYOCKUCISGYFQW-STQMWFEESA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000132207488 191027996 /nfs/dbraw/zinc/02/79/96/191027996.db2.gz OYOCKUCISGYFQW-CHWSQXEVSA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000132207755 191027768 /nfs/dbraw/zinc/02/77/68/191027768.db2.gz OYOCKUCISGYFQW-OLZOCXBDSA-N 1 0 203.329 3.610 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000132263054 591697213 /nfs/dbraw/zinc/69/72/13/591697213.db2.gz RQRGAFPNEAHYAO-CYBMUJFWSA-N 1 0 239.721 3.545 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000132263204 591697052 /nfs/dbraw/zinc/69/70/52/591697052.db2.gz RQRGAFPNEAHYAO-ZDUSSCGKSA-N 1 0 239.721 3.545 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000132263712 591697192 /nfs/dbraw/zinc/69/71/92/591697192.db2.gz IAIQPSNZPCAZPB-QMTHXVAHSA-N 1 0 235.758 3.652 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000132263897 591697270 /nfs/dbraw/zinc/69/72/70/591697270.db2.gz IAIQPSNZPCAZPB-IINYFYTJSA-N 1 0 235.758 3.652 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000132264073 591696805 /nfs/dbraw/zinc/69/68/05/591696805.db2.gz IAIQPSNZPCAZPB-YGRLFVJLSA-N 1 0 235.758 3.652 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000132264270 591697405 /nfs/dbraw/zinc/69/74/05/591697405.db2.gz IAIQPSNZPCAZPB-HZMBPMFUSA-N 1 0 235.758 3.652 20 30 BHEDRO C=C(C[NH2+][C@H](C)[C@H](C)CC)c1ccccc1 ZINC000132306802 191030646 /nfs/dbraw/zinc/03/06/46/191030646.db2.gz ALSMZPLUYHWEMT-TZMCWYRMSA-N 1 0 217.356 3.724 20 30 BHEDRO C=C(C[NH2+][C@H](C)[C@@H](C)CC)c1ccccc1 ZINC000132306952 191030892 /nfs/dbraw/zinc/03/08/92/191030892.db2.gz ALSMZPLUYHWEMT-GXTWGEPZSA-N 1 0 217.356 3.724 20 30 BHEDRO C=C(C[NH2+][C@@H](C)[C@H](C)CC)c1ccccc1 ZINC000132307128 191030890 /nfs/dbraw/zinc/03/08/90/191030890.db2.gz ALSMZPLUYHWEMT-OCCSQVGLSA-N 1 0 217.356 3.724 20 30 BHEDRO C=C(C[NH2+][C@@H](C)[C@@H](C)CC)c1ccccc1 ZINC000132307313 191030222 /nfs/dbraw/zinc/03/02/22/191030222.db2.gz ALSMZPLUYHWEMT-JSGCOSHPSA-N 1 0 217.356 3.724 20 30 BHEDRO C=C(C[NH2+][C@H](C)CC(C)C)c1ccccc1 ZINC000132307949 191030652 /nfs/dbraw/zinc/03/06/52/191030652.db2.gz RHDJDELNXMDFDS-CQSZACIVSA-N 1 0 217.356 3.724 20 30 BHEDRO C=C(C[NH2+][C@@H](C)CC(C)C)c1ccccc1 ZINC000132308138 191030000 /nfs/dbraw/zinc/03/00/00/191030000.db2.gz RHDJDELNXMDFDS-AWEZNQCLSA-N 1 0 217.356 3.724 20 30 BHEDRO C=C(C[NH2+][C@H](C)CCCC)c1ccccc1 ZINC000132308791 191030830 /nfs/dbraw/zinc/03/08/30/191030830.db2.gz SYJWZGLDRGCUIG-CQSZACIVSA-N 1 0 217.356 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H](C)CCCC)c1ccccc1 ZINC000132308996 191030135 /nfs/dbraw/zinc/03/01/35/191030135.db2.gz SYJWZGLDRGCUIG-AWEZNQCLSA-N 1 0 217.356 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H](CC)C(C)C)c1ccccc1 ZINC000132310039 191030255 /nfs/dbraw/zinc/03/02/55/191030255.db2.gz QEEFZJZRFFUGIW-HNNXBMFYSA-N 1 0 217.356 3.724 20 30 BHEDRO C=C(C[NH2+][C@H](CC)C(C)C)c1ccccc1 ZINC000132310245 191030905 /nfs/dbraw/zinc/03/09/05/191030905.db2.gz QEEFZJZRFFUGIW-OAHLLOKOSA-N 1 0 217.356 3.724 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000132345504 371795934 /nfs/dbraw/zinc/79/59/34/371795934.db2.gz YYCLWKZJHZUWIL-UHFFFAOYSA-N 1 0 243.272 3.713 20 30 BHEDRO C=CCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000132379639 358720211 /nfs/dbraw/zinc/72/02/11/358720211.db2.gz HGQWZCDWGKRNMI-UHFFFAOYSA-N 1 0 247.363 3.919 20 30 BHEDRO CCCCCCCC[NH2+]Cc1cncs1 ZINC000132436085 711558125 /nfs/dbraw/zinc/55/81/25/711558125.db2.gz UCTGRCVHPDZILB-UHFFFAOYSA-N 1 0 226.389 3.593 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000132445746 358723198 /nfs/dbraw/zinc/72/31/98/358723198.db2.gz OUWUCNKAEWCRHA-JTQLQIEISA-N 1 0 225.282 3.534 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000132445937 358722961 /nfs/dbraw/zinc/72/29/61/358722961.db2.gz OUWUCNKAEWCRHA-SNVBAGLBSA-N 1 0 225.282 3.534 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000132448027 371825122 /nfs/dbraw/zinc/82/51/22/371825122.db2.gz LIDIQGICIXLLEX-CQSZACIVSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000132448272 371825425 /nfs/dbraw/zinc/82/54/25/371825425.db2.gz LIDIQGICIXLLEX-AWEZNQCLSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000132452471 325217538 /nfs/dbraw/zinc/21/75/38/325217538.db2.gz XZXISSYHMIXNCT-UHFFFAOYSA-N 1 0 243.272 3.713 20 30 BHEDRO C=CCC[N@@H+]1CCc2sccc2[C@H]1CC ZINC000132531036 371852516 /nfs/dbraw/zinc/85/25/16/371852516.db2.gz KIWPATWYNURUPA-GFCCVEGCSA-N 1 0 221.369 3.633 20 30 BHEDRO C=CCC[N@@H+]1CCc2sccc2[C@@H]1CC ZINC000132531229 371852590 /nfs/dbraw/zinc/85/25/90/371852590.db2.gz KIWPATWYNURUPA-LBPRGKRZSA-N 1 0 221.369 3.633 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000132550740 371858610 /nfs/dbraw/zinc/85/86/10/371858610.db2.gz MZWUSSWSGIAVEW-CYBMUJFWSA-N 1 0 203.329 3.564 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000132550895 371858948 /nfs/dbraw/zinc/85/89/48/371858948.db2.gz MZWUSSWSGIAVEW-ZDUSSCGKSA-N 1 0 203.329 3.564 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000132564061 344481869 /nfs/dbraw/zinc/48/18/69/344481869.db2.gz SGAOJSVIMFZZBQ-UHFFFAOYSA-N 1 0 243.272 3.713 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000132566543 353383082 /nfs/dbraw/zinc/38/30/82/353383082.db2.gz SVZJRAVKBYPKQM-JTQLQIEISA-N 1 0 225.282 3.534 20 30 BHEDRO CCC[C@H]([NH2+]CCCC#N)C1CCCCC1 ZINC000132586474 384194413 /nfs/dbraw/zinc/19/44/13/384194413.db2.gz ODWSCDHSHIGKKO-AWEZNQCLSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC[C@@H]([NH2+]CCCC#N)C1CCCCC1 ZINC000132586660 322969222 /nfs/dbraw/zinc/96/92/22/322969222.db2.gz ODWSCDHSHIGKKO-CQSZACIVSA-N 1 0 222.376 3.629 20 30 BHEDRO C=C[C@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000132669184 398308001 /nfs/dbraw/zinc/30/80/01/398308001.db2.gz XXRRORYAJNCLRV-JEYLPNPQSA-N 1 0 229.367 3.877 20 30 BHEDRO C=C[C@@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000132669374 398307915 /nfs/dbraw/zinc/30/79/15/398307915.db2.gz XXRRORYAJNCLRV-IUDNXUCKSA-N 1 0 229.367 3.877 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000132669700 384200311 /nfs/dbraw/zinc/20/03/11/384200311.db2.gz VFIQKXBYMVBHSZ-CMPLNLGQSA-N 1 0 229.323 3.966 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000132669909 384200941 /nfs/dbraw/zinc/20/09/41/384200941.db2.gz VFIQKXBYMVBHSZ-JQWIXIFHSA-N 1 0 229.323 3.966 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000132670080 384200707 /nfs/dbraw/zinc/20/07/07/384200707.db2.gz VFIQKXBYMVBHSZ-ZYHUDNBSSA-N 1 0 229.323 3.966 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000132670310 386238761 /nfs/dbraw/zinc/23/87/61/386238761.db2.gz VFIQKXBYMVBHSZ-PWSUYJOCSA-N 1 0 229.323 3.966 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000132676182 384200286 /nfs/dbraw/zinc/20/02/86/384200286.db2.gz VNRUGJHIGVUVOU-UWVGGRQHSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000132676369 384199163 /nfs/dbraw/zinc/19/91/63/384199163.db2.gz VNRUGJHIGVUVOU-ZJUUUORDSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000132676546 384200321 /nfs/dbraw/zinc/20/03/21/384200321.db2.gz VNRUGJHIGVUVOU-VHSXEESVSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000132676763 384200353 /nfs/dbraw/zinc/20/03/53/384200353.db2.gz VNRUGJHIGVUVOU-NXEZZACHSA-N 1 0 241.281 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000132677889 384199349 /nfs/dbraw/zinc/19/93/49/384199349.db2.gz JNAIIAHNRXBPCA-UWVGGRQHSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000132678102 527416260 /nfs/dbraw/zinc/41/62/60/527416260.db2.gz JNAIIAHNRXBPCA-ZJUUUORDSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000132678294 384201164 /nfs/dbraw/zinc/20/11/64/384201164.db2.gz JNAIIAHNRXBPCA-VHSXEESVSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000132678482 384200202 /nfs/dbraw/zinc/20/02/02/384200202.db2.gz JNAIIAHNRXBPCA-NXEZZACHSA-N 1 0 243.272 3.931 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000132679674 358732735 /nfs/dbraw/zinc/73/27/35/358732735.db2.gz DYPGQRKGEDSDIA-FZMZJTMJSA-N 1 0 248.326 3.600 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000132679875 353383483 /nfs/dbraw/zinc/38/34/83/353383483.db2.gz DYPGQRKGEDSDIA-SMDDNHRTSA-N 1 0 248.326 3.600 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000132680084 358732461 /nfs/dbraw/zinc/73/24/61/358732461.db2.gz DYPGQRKGEDSDIA-RISCZKNCSA-N 1 0 248.326 3.600 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000132680292 358732501 /nfs/dbraw/zinc/73/25/01/358732501.db2.gz DYPGQRKGEDSDIA-BXUZGUMPSA-N 1 0 248.326 3.600 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000132680493 384200459 /nfs/dbraw/zinc/20/04/59/384200459.db2.gz GHOZUNIVBOXWTF-UONOGXRCSA-N 1 0 247.382 3.947 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000132680723 384200695 /nfs/dbraw/zinc/20/06/95/384200695.db2.gz GHOZUNIVBOXWTF-KBPBESRZSA-N 1 0 247.382 3.947 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000132680942 398228527 /nfs/dbraw/zinc/22/85/27/398228527.db2.gz GHOZUNIVBOXWTF-ZIAGYGMSSA-N 1 0 247.382 3.947 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000132681138 384200444 /nfs/dbraw/zinc/20/04/44/384200444.db2.gz GHOZUNIVBOXWTF-KGLIPLIRSA-N 1 0 247.382 3.947 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000132683205 527570835 /nfs/dbraw/zinc/57/08/35/527570835.db2.gz AIXMDOZTUZMCMG-QWHCGFSZSA-N 1 0 233.355 3.699 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000132683400 384200175 /nfs/dbraw/zinc/20/01/75/384200175.db2.gz AIXMDOZTUZMCMG-STQMWFEESA-N 1 0 233.355 3.699 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000132683595 384200821 /nfs/dbraw/zinc/20/08/21/384200821.db2.gz AIXMDOZTUZMCMG-CHWSQXEVSA-N 1 0 233.355 3.699 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000132683801 384199709 /nfs/dbraw/zinc/19/97/09/384199709.db2.gz AIXMDOZTUZMCMG-OLZOCXBDSA-N 1 0 233.355 3.699 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000132686807 384199505 /nfs/dbraw/zinc/19/95/05/384199505.db2.gz WLKOSNWOPDRRIL-STQMWFEESA-N 1 0 229.367 3.791 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000132686982 384200661 /nfs/dbraw/zinc/20/06/61/384200661.db2.gz WLKOSNWOPDRRIL-OLZOCXBDSA-N 1 0 229.367 3.791 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000132687197 384199652 /nfs/dbraw/zinc/19/96/52/384199652.db2.gz WLKOSNWOPDRRIL-QWHCGFSZSA-N 1 0 229.367 3.791 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000132687405 527416322 /nfs/dbraw/zinc/41/63/22/527416322.db2.gz WLKOSNWOPDRRIL-CHWSQXEVSA-N 1 0 229.367 3.791 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000132689758 384200328 /nfs/dbraw/zinc/20/03/28/384200328.db2.gz XVEASNILKYORTJ-QWHCGFSZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000132689958 527571014 /nfs/dbraw/zinc/57/10/14/527571014.db2.gz XVEASNILKYORTJ-STQMWFEESA-N 1 0 233.355 3.701 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000132690172 384199276 /nfs/dbraw/zinc/19/92/76/384199276.db2.gz XVEASNILKYORTJ-CHWSQXEVSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000132690380 384200015 /nfs/dbraw/zinc/20/00/15/384200015.db2.gz XVEASNILKYORTJ-OLZOCXBDSA-N 1 0 233.355 3.701 20 30 BHEDRO CC(C)(C)[N@H+](CCCC#N)Cc1ccc(F)cc1 ZINC000132736573 345341429 /nfs/dbraw/zinc/34/14/29/345341429.db2.gz AIVDTSUGYYVPFS-UHFFFAOYSA-N 1 0 248.345 3.730 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000132866856 591743347 /nfs/dbraw/zinc/74/33/47/591743347.db2.gz AUBKWMISLGSSIV-CYBMUJFWSA-N 1 0 239.721 3.545 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000132867101 591743100 /nfs/dbraw/zinc/74/31/00/591743100.db2.gz AUBKWMISLGSSIV-ZDUSSCGKSA-N 1 0 239.721 3.545 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000132934641 191036288 /nfs/dbraw/zinc/03/62/88/191036288.db2.gz AILPLSMVJNTXKD-HNNXBMFYSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000132934840 191036464 /nfs/dbraw/zinc/03/64/64/191036464.db2.gz AILPLSMVJNTXKD-OAHLLOKOSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CCC[N@@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000133033367 371975937 /nfs/dbraw/zinc/97/59/37/371975937.db2.gz AQRMZGSELOSJGH-AWEZNQCLSA-N 1 0 247.382 3.524 20 30 BHEDRO C=CCC[N@@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000133033579 371976507 /nfs/dbraw/zinc/97/65/07/371976507.db2.gz AQRMZGSELOSJGH-CQSZACIVSA-N 1 0 247.382 3.524 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000133076848 491146110 /nfs/dbraw/zinc/14/61/10/491146110.db2.gz HSCNZUKKSSJHSL-WDEREUQCSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000133077011 491120010 /nfs/dbraw/zinc/12/00/10/491120010.db2.gz HSCNZUKKSSJHSL-QWRGUYRKSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000133077187 491146121 /nfs/dbraw/zinc/14/61/21/491146121.db2.gz HSCNZUKKSSJHSL-GHMZBOCLSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000133077391 491146090 /nfs/dbraw/zinc/14/60/90/491146090.db2.gz HSCNZUKKSSJHSL-MNOVXSKESA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000133077632 534761130 /nfs/dbraw/zinc/76/11/30/534761130.db2.gz UUIAINXZRFULDG-QWRGUYRKSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000133077845 344313761 /nfs/dbraw/zinc/31/37/61/344313761.db2.gz UUIAINXZRFULDG-MNOVXSKESA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000133078031 344313581 /nfs/dbraw/zinc/31/35/81/344313581.db2.gz UUIAINXZRFULDG-WDEREUQCSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000133078240 344313707 /nfs/dbraw/zinc/31/37/07/344313707.db2.gz UUIAINXZRFULDG-GHMZBOCLSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000133084588 191036955 /nfs/dbraw/zinc/03/69/55/191036955.db2.gz SPOJOKMRLJHALY-RYUDHWBXSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000133084783 191036472 /nfs/dbraw/zinc/03/64/72/191036472.db2.gz SPOJOKMRLJHALY-NEPJUHHUSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000133084945 191036639 /nfs/dbraw/zinc/03/66/39/191036639.db2.gz SPOJOKMRLJHALY-NWDGAFQWSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000133085150 191036721 /nfs/dbraw/zinc/03/67/21/191036721.db2.gz SPOJOKMRLJHALY-VXGBXAGGSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000133094091 191037616 /nfs/dbraw/zinc/03/76/16/191037616.db2.gz CWFULXSSIRIUFT-QWRGUYRKSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000133094300 191038332 /nfs/dbraw/zinc/03/83/32/191038332.db2.gz CWFULXSSIRIUFT-MNOVXSKESA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000133094494 191038268 /nfs/dbraw/zinc/03/82/68/191038268.db2.gz CWFULXSSIRIUFT-WDEREUQCSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000133094696 191038165 /nfs/dbraw/zinc/03/81/65/191038165.db2.gz CWFULXSSIRIUFT-GHMZBOCLSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000133096538 325267982 /nfs/dbraw/zinc/26/79/82/325267982.db2.gz YHPXBICQTSHFOV-RYUDHWBXSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000133096749 325267778 /nfs/dbraw/zinc/26/77/78/325267778.db2.gz YHPXBICQTSHFOV-NEPJUHHUSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000133096952 325267941 /nfs/dbraw/zinc/26/79/41/325267941.db2.gz YHPXBICQTSHFOV-NWDGAFQWSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000133097147 325267894 /nfs/dbraw/zinc/26/78/94/325267894.db2.gz YHPXBICQTSHFOV-VXGBXAGGSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000133100627 325268439 /nfs/dbraw/zinc/26/84/39/325268439.db2.gz KOOIHHFKHPQDNL-QWRGUYRKSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000133100842 325268562 /nfs/dbraw/zinc/26/85/62/325268562.db2.gz KOOIHHFKHPQDNL-MNOVXSKESA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000133101032 325268260 /nfs/dbraw/zinc/26/82/60/325268260.db2.gz KOOIHHFKHPQDNL-WDEREUQCSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000133101247 325268673 /nfs/dbraw/zinc/26/86/73/325268673.db2.gz KOOIHHFKHPQDNL-GHMZBOCLSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000133159506 325273211 /nfs/dbraw/zinc/27/32/11/325273211.db2.gz WKLLCPWLDLODNZ-CYBMUJFWSA-N 1 0 219.328 3.773 20 30 BHEDRO C=CCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000133159718 325273571 /nfs/dbraw/zinc/27/35/71/325273571.db2.gz WKLLCPWLDLODNZ-ZDUSSCGKSA-N 1 0 219.328 3.773 20 30 BHEDRO C=CCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000133161749 371998079 /nfs/dbraw/zinc/99/80/79/371998079.db2.gz SXPMJSZXMKOPFQ-OCCSQVGLSA-N 1 0 233.330 3.580 20 30 BHEDRO C=CCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000133161952 371998830 /nfs/dbraw/zinc/99/88/30/371998830.db2.gz SXPMJSZXMKOPFQ-JSGCOSHPSA-N 1 0 233.330 3.580 20 30 BHEDRO C=CCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000133162142 371997706 /nfs/dbraw/zinc/99/77/06/371997706.db2.gz SXPMJSZXMKOPFQ-TZMCWYRMSA-N 1 0 233.330 3.580 20 30 BHEDRO C=CCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000133162347 371998685 /nfs/dbraw/zinc/99/86/85/371998685.db2.gz SXPMJSZXMKOPFQ-GXTWGEPZSA-N 1 0 233.330 3.580 20 30 BHEDRO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](CC)CC#N ZINC000133193846 325276973 /nfs/dbraw/zinc/27/69/73/325276973.db2.gz WPURANGRAWKFLG-HOTGVXAUSA-N 1 0 244.382 3.680 20 30 BHEDRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H](CC)CC#N ZINC000133194035 325277100 /nfs/dbraw/zinc/27/71/00/325277100.db2.gz WPURANGRAWKFLG-JKSUJKDBSA-N 1 0 244.382 3.680 20 30 BHEDRO CCC[C@@H](Cc1ccccc1)[NH2+][C@H](CC)CC#N ZINC000133194229 325277014 /nfs/dbraw/zinc/27/70/14/325277014.db2.gz WPURANGRAWKFLG-CVEARBPZSA-N 1 0 244.382 3.680 20 30 BHEDRO CCC[C@H](Cc1ccccc1)[NH2+][C@H](CC)CC#N ZINC000133194435 325276998 /nfs/dbraw/zinc/27/69/98/325276998.db2.gz WPURANGRAWKFLG-HZPDHXFCSA-N 1 0 244.382 3.680 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000133197306 323017686 /nfs/dbraw/zinc/01/76/86/323017686.db2.gz FWVVODGIBGMZHP-HOTGVXAUSA-N 1 0 244.382 3.598 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000133197519 325276784 /nfs/dbraw/zinc/27/67/84/325276784.db2.gz FWVVODGIBGMZHP-CVEARBPZSA-N 1 0 244.382 3.598 20 30 BHEDRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](CC)CC#N ZINC000133197715 325277006 /nfs/dbraw/zinc/27/70/06/325277006.db2.gz FWVVODGIBGMZHP-JKSUJKDBSA-N 1 0 244.382 3.598 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000133197915 325276932 /nfs/dbraw/zinc/27/69/32/325276932.db2.gz FWVVODGIBGMZHP-HZPDHXFCSA-N 1 0 244.382 3.598 20 30 BHEDRO C=C(C[NH2+][C@@H](C)C(C)(C)C)c1ccccc1 ZINC000133312944 191039211 /nfs/dbraw/zinc/03/92/11/191039211.db2.gz VOBVJBUYAJTXJQ-ZDUSSCGKSA-N 1 0 217.356 3.724 20 30 BHEDRO C=C(C[NH2+][C@H](C)C(C)(C)C)c1ccccc1 ZINC000133313143 191039639 /nfs/dbraw/zinc/03/96/39/191039639.db2.gz VOBVJBUYAJTXJQ-CYBMUJFWSA-N 1 0 217.356 3.724 20 30 BHEDRO C=C(Br)C[NH2+][C@H](CC)C[C@H](C)CC ZINC000133320579 591785451 /nfs/dbraw/zinc/78/54/51/591785451.db2.gz SOZDQROJJOYZTB-MWLCHTKSSA-N 1 0 248.208 3.699 20 30 BHEDRO C=C(Br)C[NH2+][C@H](CC)C[C@@H](C)CC ZINC000133320808 591784846 /nfs/dbraw/zinc/78/48/46/591784846.db2.gz SOZDQROJJOYZTB-GXSJLCMTSA-N 1 0 248.208 3.699 20 30 BHEDRO C=C(Br)C[NH2+][C@@H](CC)C[C@H](C)CC ZINC000133320990 591787480 /nfs/dbraw/zinc/78/74/80/591787480.db2.gz SOZDQROJJOYZTB-KOLCDFICSA-N 1 0 248.208 3.699 20 30 BHEDRO C=C(Br)C[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000133321185 582742684 /nfs/dbraw/zinc/74/26/84/582742684.db2.gz SOZDQROJJOYZTB-ONGXEEELSA-N 1 0 248.208 3.699 20 30 BHEDRO C=CC[N@@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000133374063 591788817 /nfs/dbraw/zinc/78/88/17/591788817.db2.gz SMZAZFOIYDSRGD-UHFFFAOYSA-N 1 0 246.741 3.506 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000133572535 191042090 /nfs/dbraw/zinc/04/20/90/191042090.db2.gz AKSFGXVPAPXMLD-JTQLQIEISA-N 1 0 227.735 3.767 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000133572717 191041033 /nfs/dbraw/zinc/04/10/33/191041033.db2.gz AKSFGXVPAPXMLD-SNVBAGLBSA-N 1 0 227.735 3.767 20 30 BHEDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCCC#N)c1 ZINC000133580074 136214076 /nfs/dbraw/zinc/21/40/76/136214076.db2.gz IBLMJBMAGGRYIO-INIZCTEOSA-N 1 0 242.366 3.744 20 30 BHEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCCC#N)c1 ZINC000133580264 136213999 /nfs/dbraw/zinc/21/39/99/136213999.db2.gz IBLMJBMAGGRYIO-MRXNPFEDSA-N 1 0 242.366 3.744 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(CC)o1 ZINC000133582586 191041276 /nfs/dbraw/zinc/04/12/76/191041276.db2.gz SWTXDBGFJPVVQD-LBPRGKRZSA-N 1 0 221.344 3.676 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(CC)o1 ZINC000133582778 191041094 /nfs/dbraw/zinc/04/10/94/191041094.db2.gz SWTXDBGFJPVVQD-GFCCVEGCSA-N 1 0 221.344 3.676 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1cc(C)oc1C ZINC000133593071 584942854 /nfs/dbraw/zinc/94/28/54/584942854.db2.gz GUHVFCXCTWWAJX-NSHDSACASA-N 1 0 221.344 3.731 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(C)oc1C ZINC000133593221 591831143 /nfs/dbraw/zinc/83/11/43/591831143.db2.gz GUHVFCXCTWWAJX-LLVKDONJSA-N 1 0 221.344 3.731 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000133645811 386353800 /nfs/dbraw/zinc/35/38/00/386353800.db2.gz OJOMUYZTPPENJG-UWVGGRQHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000133646047 353420000 /nfs/dbraw/zinc/42/00/00/353420000.db2.gz OJOMUYZTPPENJG-ZJUUUORDSA-N 1 0 225.282 3.580 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000133958701 591870198 /nfs/dbraw/zinc/87/01/98/591870198.db2.gz LGBXAGKNTAJYFC-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCCC[NH2+][C@H]1CCO[C@@H]1C ZINC000133958906 591870716 /nfs/dbraw/zinc/87/07/16/591870716.db2.gz LGBXAGKNTAJYFC-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H]1CCO[C@H]1C ZINC000133959142 591871107 /nfs/dbraw/zinc/87/11/07/591871107.db2.gz LGBXAGKNTAJYFC-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCCC[NH2+][C@H]1CCO[C@H]1C ZINC000133959310 591871028 /nfs/dbraw/zinc/87/10/28/591871028.db2.gz LGBXAGKNTAJYFC-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](SC)C1)C1CC1 ZINC000133960953 591872080 /nfs/dbraw/zinc/87/20/80/591872080.db2.gz PLWUBHOHIJNINU-MJBXVCDLSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](SC)C1)C1CC1 ZINC000133961149 591871814 /nfs/dbraw/zinc/87/18/14/591871814.db2.gz PLWUBHOHIJNINU-IHRRRGAJSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](SC)C1)C1CC1 ZINC000133961366 591871585 /nfs/dbraw/zinc/87/15/85/591871585.db2.gz PLWUBHOHIJNINU-MCIONIFRSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](SC)C1)C1CC1 ZINC000133961567 591871804 /nfs/dbraw/zinc/87/18/04/591871804.db2.gz PLWUBHOHIJNINU-RDBSUJKOSA-N 1 0 239.428 3.605 20 30 BHEDRO C=C(C[NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000134363391 325355538 /nfs/dbraw/zinc/35/55/38/325355538.db2.gz KQDOSWCHUQXMDK-HNNXBMFYSA-N 1 0 227.351 3.646 20 30 BHEDRO C=C(C[NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000134363407 325355632 /nfs/dbraw/zinc/35/56/32/325355632.db2.gz KQDOSWCHUQXMDK-OAHLLOKOSA-N 1 0 227.351 3.646 20 30 BHEDRO C=C(C[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000134366389 134708233 /nfs/dbraw/zinc/70/82/33/134708233.db2.gz OJCZHWOKUUMPTJ-LBPRGKRZSA-N 1 0 244.363 3.507 20 30 BHEDRO C=C(C[NH2+][C@H](C)c1nccs1)c1ccccc1 ZINC000134366407 358788482 /nfs/dbraw/zinc/78/84/82/358788482.db2.gz OJCZHWOKUUMPTJ-GFCCVEGCSA-N 1 0 244.363 3.507 20 30 BHEDRO C=C(C[NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC000134369530 487983901 /nfs/dbraw/zinc/98/39/01/487983901.db2.gz HNWKZRRXZUAPPS-OAHLLOKOSA-N 1 0 247.407 3.575 20 30 BHEDRO C=C(C[NH2+]C[C@]1(C)CCCS1)c1ccccc1 ZINC000134369553 487980626 /nfs/dbraw/zinc/98/06/26/487980626.db2.gz HNWKZRRXZUAPPS-HNNXBMFYSA-N 1 0 247.407 3.575 20 30 BHEDRO C=C(C[NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000134370102 325356099 /nfs/dbraw/zinc/35/60/99/325356099.db2.gz TUZQSOVKUPNSTL-AWEZNQCLSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000134370125 325356069 /nfs/dbraw/zinc/35/60/69/325356069.db2.gz TUZQSOVKUPNSTL-CQSZACIVSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000134370258 358788595 /nfs/dbraw/zinc/78/85/95/358788595.db2.gz XWZOWLIALFYGIX-ZDUSSCGKSA-N 1 0 227.307 3.644 20 30 BHEDRO C=C(C[NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000134370280 358788579 /nfs/dbraw/zinc/78/85/79/358788579.db2.gz XWZOWLIALFYGIX-CYBMUJFWSA-N 1 0 227.307 3.644 20 30 BHEDRO C=CCOc1ccc(C[NH2+]CC(CC)CC)cc1 ZINC000134445923 325358902 /nfs/dbraw/zinc/35/89/02/325358902.db2.gz GCMRUXVJBMUANL-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CC(CC)CC ZINC000134446157 325359038 /nfs/dbraw/zinc/35/90/38/325359038.db2.gz NWJXZBMAWGQFPQ-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO CC(C)C[N@H+](CCCCC#N)CC(C)(C)C ZINC000134461317 358790195 /nfs/dbraw/zinc/79/01/95/358790195.db2.gz BGIICPWEMJYWDE-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C(C)(C)CCC)cc1 ZINC000134520786 325363406 /nfs/dbraw/zinc/36/34/06/325363406.db2.gz KEMVEBXOIKDDHG-UHFFFAOYSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000134553294 325365312 /nfs/dbraw/zinc/36/53/12/325365312.db2.gz VOIGAWBENTZVKU-ZDUSSCGKSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000134553316 325365356 /nfs/dbraw/zinc/36/53/56/325365356.db2.gz VOIGAWBENTZVKU-CYBMUJFWSA-N 1 0 247.382 3.776 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000134586779 591939702 /nfs/dbraw/zinc/93/97/02/591939702.db2.gz TXPOGQXYCHMRIP-QMTHXVAHSA-N 1 0 235.758 3.570 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000134586802 591939781 /nfs/dbraw/zinc/93/97/81/591939781.db2.gz TXPOGQXYCHMRIP-YGRLFVJLSA-N 1 0 235.758 3.570 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000134586829 591939394 /nfs/dbraw/zinc/93/93/94/591939394.db2.gz TXPOGQXYCHMRIP-IINYFYTJSA-N 1 0 235.758 3.570 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000134586845 591939671 /nfs/dbraw/zinc/93/96/71/591939671.db2.gz TXPOGQXYCHMRIP-HZMBPMFUSA-N 1 0 235.758 3.570 20 30 BHEDRO C#CCCCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134655783 591944927 /nfs/dbraw/zinc/94/49/27/591944927.db2.gz JGVZOCJDLYCKQW-UHFFFAOYSA-N 1 0 235.758 3.542 20 30 BHEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000134725038 325373403 /nfs/dbraw/zinc/37/34/03/325373403.db2.gz ZXFIFAHGIYDCEN-MRXNPFEDSA-N 1 0 242.366 3.713 20 30 BHEDRO CC[C@H]1CCCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000134725065 325373361 /nfs/dbraw/zinc/37/33/61/325373361.db2.gz ZXFIFAHGIYDCEN-INIZCTEOSA-N 1 0 242.366 3.713 20 30 BHEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1C#N ZINC000134725628 325373367 /nfs/dbraw/zinc/37/33/67/325373367.db2.gz KYQIYBYQDOECMK-MRXNPFEDSA-N 1 0 242.366 3.713 20 30 BHEDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccccc1C#N ZINC000134725651 325373230 /nfs/dbraw/zinc/37/32/30/325373230.db2.gz KYQIYBYQDOECMK-INIZCTEOSA-N 1 0 242.366 3.713 20 30 BHEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000134726336 325373874 /nfs/dbraw/zinc/37/38/74/325373874.db2.gz WYUGYBBSAJSIHX-MRXNPFEDSA-N 1 0 242.366 3.713 20 30 BHEDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000134726353 325373626 /nfs/dbraw/zinc/37/36/26/325373626.db2.gz WYUGYBBSAJSIHX-INIZCTEOSA-N 1 0 242.366 3.713 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000134747580 325375466 /nfs/dbraw/zinc/37/54/66/325375466.db2.gz LNVKLPHVZFGYLL-ZDUSSCGKSA-N 1 0 225.335 3.894 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000134747600 325375346 /nfs/dbraw/zinc/37/53/46/325375346.db2.gz LNVKLPHVZFGYLL-CYBMUJFWSA-N 1 0 225.335 3.894 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000134748148 325375363 /nfs/dbraw/zinc/37/53/63/325375363.db2.gz FNYQMZYZGKKUKS-ZDUSSCGKSA-N 1 0 225.335 3.894 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000134748163 325375273 /nfs/dbraw/zinc/37/52/73/325375273.db2.gz FNYQMZYZGKKUKS-CYBMUJFWSA-N 1 0 225.335 3.894 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCCCC)cc1 ZINC000134749158 325375751 /nfs/dbraw/zinc/37/57/51/325375751.db2.gz PWGJWFGZBLZAFI-AWEZNQCLSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCCCC)cc1 ZINC000134749180 325375602 /nfs/dbraw/zinc/37/56/02/325375602.db2.gz PWGJWFGZBLZAFI-CQSZACIVSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000134749823 591948592 /nfs/dbraw/zinc/94/85/92/591948592.db2.gz MFYBYVISFRVRFS-AWEZNQCLSA-N 1 0 246.398 3.587 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000134749840 591948898 /nfs/dbraw/zinc/94/88/98/591948898.db2.gz MFYBYVISFRVRFS-CQSZACIVSA-N 1 0 246.398 3.587 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1c2ccccc2oc1CC ZINC000134792462 591949978 /nfs/dbraw/zinc/94/99/78/591949978.db2.gz RWTHYAKQTWGWFT-UHFFFAOYSA-N 1 0 249.741 3.837 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000134820339 325377847 /nfs/dbraw/zinc/37/78/47/325377847.db2.gz DVAKUXIPBJNYIZ-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000134820358 353514909 /nfs/dbraw/zinc/51/49/09/353514909.db2.gz DVAKUXIPBJNYIZ-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000134820380 325378103 /nfs/dbraw/zinc/37/81/03/325378103.db2.gz DVAKUXIPBJNYIZ-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000134820400 325378027 /nfs/dbraw/zinc/37/80/27/325378027.db2.gz DVAKUXIPBJNYIZ-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO CC[C@@H]1CCCCC[N@@H+]1CCCC(C)(C)C#N ZINC000134831915 325378542 /nfs/dbraw/zinc/37/85/42/325378542.db2.gz AEAJLSYZWCAYQS-CQSZACIVSA-N 1 0 236.403 3.971 20 30 BHEDRO CC[C@H]1CCCCC[N@@H+]1CCCC(C)(C)C#N ZINC000134831937 325378377 /nfs/dbraw/zinc/37/83/77/325378377.db2.gz AEAJLSYZWCAYQS-AWEZNQCLSA-N 1 0 236.403 3.971 20 30 BHEDRO C#CCCCC[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC000134858936 591953175 /nfs/dbraw/zinc/95/31/75/591953175.db2.gz VAXGHAXYRPNFER-CABCVRRESA-N 1 0 221.388 3.596 20 30 BHEDRO C#CCCCC[NH2+]C[C@H]1CCC[C@H](CC)C1 ZINC000134858955 591952815 /nfs/dbraw/zinc/95/28/15/591952815.db2.gz VAXGHAXYRPNFER-GJZGRUSLSA-N 1 0 221.388 3.596 20 30 BHEDRO C#CCCCC[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC000134858974 591953097 /nfs/dbraw/zinc/95/30/97/591953097.db2.gz VAXGHAXYRPNFER-HUUCEWRRSA-N 1 0 221.388 3.596 20 30 BHEDRO C#CCCCC[NH2+]C[C@@H]1CCC[C@H](CC)C1 ZINC000134858993 591952915 /nfs/dbraw/zinc/95/29/15/591952915.db2.gz VAXGHAXYRPNFER-LSDHHAIUSA-N 1 0 221.388 3.596 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CCCC1CC1 ZINC000134868262 342909736 /nfs/dbraw/zinc/90/97/36/342909736.db2.gz WSKHNIYFGSKAOU-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=CCOc1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000134869319 325380012 /nfs/dbraw/zinc/38/00/12/325380012.db2.gz ACFDMIJXPCCIEF-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000134911595 591959048 /nfs/dbraw/zinc/95/90/48/591959048.db2.gz GXXWSGYQGRCRDG-LBPRGKRZSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000134911613 591958759 /nfs/dbraw/zinc/95/87/59/591958759.db2.gz GXXWSGYQGRCRDG-GFCCVEGCSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(CC)s1 ZINC000134912788 353516406 /nfs/dbraw/zinc/51/64/06/353516406.db2.gz UUSQVYQCCSMMBR-NSHDSACASA-N 1 0 223.385 3.755 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(CC)s1 ZINC000134912809 325382362 /nfs/dbraw/zinc/38/23/62/325382362.db2.gz UUSQVYQCCSMMBR-LLVKDONJSA-N 1 0 223.385 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000134915828 325382940 /nfs/dbraw/zinc/38/29/40/325382940.db2.gz BNGOXQJQMFWCFW-JTQLQIEISA-N 1 0 243.803 3.888 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000134915849 325382953 /nfs/dbraw/zinc/38/29/53/325382953.db2.gz BNGOXQJQMFWCFW-SNVBAGLBSA-N 1 0 243.803 3.888 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000134922109 325382708 /nfs/dbraw/zinc/38/27/08/325382708.db2.gz HTHKITUPPXWSEK-XQQFMLRXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000134922146 325382889 /nfs/dbraw/zinc/38/28/89/325382889.db2.gz HTHKITUPPXWSEK-AVGNSLFASA-N 1 0 227.417 3.605 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000134928448 358810878 /nfs/dbraw/zinc/81/08/78/358810878.db2.gz IKRHWOPBNNURGM-IINYFYTJSA-N 1 0 235.758 3.882 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000134928462 358811277 /nfs/dbraw/zinc/81/12/77/358811277.db2.gz IKRHWOPBNNURGM-QMTHXVAHSA-N 1 0 235.758 3.882 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000134928483 358810756 /nfs/dbraw/zinc/81/07/56/358810756.db2.gz IKRHWOPBNNURGM-HZMBPMFUSA-N 1 0 235.758 3.882 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000134928503 358811228 /nfs/dbraw/zinc/81/12/28/358811228.db2.gz IKRHWOPBNNURGM-YGRLFVJLSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134931906 591962001 /nfs/dbraw/zinc/96/20/01/591962001.db2.gz UNIPUWWTDQEGDK-UWVGGRQHSA-N 1 0 239.746 3.661 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134931922 591962451 /nfs/dbraw/zinc/96/24/51/591962451.db2.gz UNIPUWWTDQEGDK-ZJUUUORDSA-N 1 0 239.746 3.661 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134931942 591962351 /nfs/dbraw/zinc/96/23/51/591962351.db2.gz UNIPUWWTDQEGDK-VHSXEESVSA-N 1 0 239.746 3.661 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134931958 591961966 /nfs/dbraw/zinc/96/19/66/591961966.db2.gz UNIPUWWTDQEGDK-NXEZZACHSA-N 1 0 239.746 3.661 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134941126 325383809 /nfs/dbraw/zinc/38/38/09/325383809.db2.gz BBXHWJZXZDPRLR-ZDUSSCGKSA-N 1 0 215.340 3.620 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000134941146 325383749 /nfs/dbraw/zinc/38/37/49/325383749.db2.gz BBXHWJZXZDPRLR-CYBMUJFWSA-N 1 0 215.340 3.620 20 30 BHEDRO CC(C)[N@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000134989114 325386711 /nfs/dbraw/zinc/38/67/11/325386711.db2.gz XZKXOVKSCHFYLH-UHFFFAOYSA-N 1 0 247.769 3.564 20 30 BHEDRO CC#CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000135019662 325388862 /nfs/dbraw/zinc/38/88/62/325388862.db2.gz PRMSVPSTWNXAQE-SFHVURJKSA-N 1 0 249.357 3.583 20 30 BHEDRO CC#CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000135019684 325388906 /nfs/dbraw/zinc/38/89/06/325388906.db2.gz PRMSVPSTWNXAQE-GOSISDBHSA-N 1 0 249.357 3.583 20 30 BHEDRO CCCC[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135095167 325392778 /nfs/dbraw/zinc/39/27/78/325392778.db2.gz DSZUKFWYXUUEGD-UHFFFAOYSA-N 1 0 244.382 3.720 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CCC1=CCCCC1 ZINC000135121526 325396166 /nfs/dbraw/zinc/39/61/66/325396166.db2.gz QLOFDPHCIDZHJS-UHFFFAOYSA-N 1 0 234.387 3.796 20 30 BHEDRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135121595 643492530 /nfs/dbraw/zinc/49/25/30/643492530.db2.gz WONTYNWIYZYFPA-GFCCVEGCSA-N 1 0 234.343 3.600 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CCCc1ccccc1 ZINC000135123884 345432892 /nfs/dbraw/zinc/43/28/92/345432892.db2.gz GFNHQNYMEUTDSO-UHFFFAOYSA-N 1 0 244.382 3.539 20 30 BHEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000135127425 358821504 /nfs/dbraw/zinc/82/15/04/358821504.db2.gz KTKGPXLNWZDCED-AWEZNQCLSA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000135127439 358821482 /nfs/dbraw/zinc/82/14/82/358821482.db2.gz KTKGPXLNWZDCED-CQSZACIVSA-N 1 0 244.382 3.710 20 30 BHEDRO CCCCCCCC[NH2+]Cc1ccc(C#N)o1 ZINC000135133296 645877439 /nfs/dbraw/zinc/87/74/39/645877439.db2.gz LFQCSXBHMDGRMF-UHFFFAOYSA-N 1 0 234.343 3.601 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CCC1CCCCC1 ZINC000135140179 358822150 /nfs/dbraw/zinc/82/21/50/358822150.db2.gz BCTRVGVVIHSMND-UHFFFAOYSA-N 1 0 236.403 3.876 20 30 BHEDRO CCC1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000135153683 358822215 /nfs/dbraw/zinc/82/22/15/358822215.db2.gz CISGTKBGXAQLOX-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135162111 325398206 /nfs/dbraw/zinc/39/82/06/325398206.db2.gz FRZKFQIMKVLHTL-UHFFFAOYSA-N 1 0 246.354 3.600 20 30 BHEDRO CC1CCC(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000135162163 325398160 /nfs/dbraw/zinc/39/81/60/325398160.db2.gz YLQWKVNOSLPISF-UHFFFAOYSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000135163163 325398006 /nfs/dbraw/zinc/39/80/06/325398006.db2.gz NKOLYSWPWSSIAR-ZIAGYGMSSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000135163180 325397971 /nfs/dbraw/zinc/39/79/71/325397971.db2.gz NKOLYSWPWSSIAR-UONOGXRCSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@@H]1CCCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000135163202 325397935 /nfs/dbraw/zinc/39/79/35/325397935.db2.gz NKOLYSWPWSSIAR-KGLIPLIRSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@H]1CCCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000135163216 325398142 /nfs/dbraw/zinc/39/81/42/325398142.db2.gz NKOLYSWPWSSIAR-KBPBESRZSA-N 1 0 236.403 3.732 20 30 BHEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C(C)C ZINC000135165166 535788930 /nfs/dbraw/zinc/78/89/30/535788930.db2.gz VJHFPEUJPRZOIT-UHFFFAOYSA-N 1 0 244.382 3.718 20 30 BHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)C1CCCCC1 ZINC000135170293 343959710 /nfs/dbraw/zinc/95/97/10/343959710.db2.gz KCMRMUPAMKUSBQ-HNNXBMFYSA-N 1 0 246.354 3.600 20 30 BHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCCCC1 ZINC000135170309 343960005 /nfs/dbraw/zinc/96/00/05/343960005.db2.gz KCMRMUPAMKUSBQ-OAHLLOKOSA-N 1 0 246.354 3.600 20 30 BHEDRO CC[C@@H](C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135180007 325399244 /nfs/dbraw/zinc/39/92/44/325399244.db2.gz FOGKHIJTNNXILS-CYBMUJFWSA-N 1 0 244.382 3.718 20 30 BHEDRO CC[C@H](C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135180028 325399527 /nfs/dbraw/zinc/39/95/27/325399527.db2.gz FOGKHIJTNNXILS-ZDUSSCGKSA-N 1 0 244.382 3.718 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000135182515 325399223 /nfs/dbraw/zinc/39/92/23/325399223.db2.gz DNYSVYCTXCAKFE-HIFRSBDPSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000135182534 325399411 /nfs/dbraw/zinc/39/94/11/325399411.db2.gz DNYSVYCTXCAKFE-ZFWWWQNUSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000135182557 325399187 /nfs/dbraw/zinc/39/91/87/325399187.db2.gz DNYSVYCTXCAKFE-UKRRQHHQSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000135182577 325399381 /nfs/dbraw/zinc/39/93/81/325399381.db2.gz DNYSVYCTXCAKFE-DZGCQCFKSA-N 1 0 245.366 3.530 20 30 BHEDRO CCc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000135191426 345434317 /nfs/dbraw/zinc/43/43/17/345434317.db2.gz IXVBCWBCWOIYKB-UHFFFAOYSA-N 1 0 244.382 3.669 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C1CCC(C)(C)CC1 ZINC000135193038 325400082 /nfs/dbraw/zinc/40/00/82/325400082.db2.gz HAAJGCOERJTMIV-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000135304902 358829701 /nfs/dbraw/zinc/82/97/01/358829701.db2.gz UEYQVWPESQCBLN-AWEZNQCLSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)CC[C@H]1CCC[N@@H+]1CCCCC#N ZINC000135304923 358831057 /nfs/dbraw/zinc/83/10/57/358831057.db2.gz UEYQVWPESQCBLN-CQSZACIVSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000135327652 134742484 /nfs/dbraw/zinc/74/24/84/134742484.db2.gz BFFOTEPVTHOFQB-KGLIPLIRSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000135327672 358832396 /nfs/dbraw/zinc/83/23/96/358832396.db2.gz BFFOTEPVTHOFQB-KBPBESRZSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCCC#N ZINC000135327691 358832357 /nfs/dbraw/zinc/83/23/57/358832357.db2.gz BFFOTEPVTHOFQB-ZIAGYGMSSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCCC#N ZINC000135327712 358832024 /nfs/dbraw/zinc/83/20/24/358832024.db2.gz BFFOTEPVTHOFQB-UONOGXRCSA-N 1 0 222.376 3.581 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135494508 592014846 /nfs/dbraw/zinc/01/48/46/592014846.db2.gz GARWOEWAZKKFFR-LLVKDONJSA-N 1 0 236.384 3.678 20 30 BHEDRO CCCCC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135494528 582806185 /nfs/dbraw/zinc/80/61/85/582806185.db2.gz GARWOEWAZKKFFR-NSHDSACASA-N 1 0 236.384 3.678 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135494583 325415705 /nfs/dbraw/zinc/41/57/05/325415705.db2.gz YMMFRZJUBWPJFP-LLVKDONJSA-N 1 0 236.384 3.534 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135494605 325415467 /nfs/dbraw/zinc/41/54/67/325415467.db2.gz YMMFRZJUBWPJFP-NSHDSACASA-N 1 0 236.384 3.534 20 30 BHEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccs1 ZINC000135495193 384972795 /nfs/dbraw/zinc/97/27/95/384972795.db2.gz LSFPGKYLUKFHHA-VIFPVBQESA-N 1 0 248.376 3.532 20 30 BHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccs1 ZINC000135495214 384974437 /nfs/dbraw/zinc/97/44/37/384974437.db2.gz LSFPGKYLUKFHHA-SECBINFHSA-N 1 0 248.376 3.532 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccc(C#N)s1 ZINC000135501853 384988430 /nfs/dbraw/zinc/98/84/30/384988430.db2.gz HCKMZTVHTKZYPZ-UHFFFAOYSA-N 1 0 236.384 3.678 20 30 BHEDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135502072 325416108 /nfs/dbraw/zinc/41/61/08/325416108.db2.gz ZCVYWHZCHWZJLS-GHMZBOCLSA-N 1 0 236.384 3.534 20 30 BHEDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135502089 384987904 /nfs/dbraw/zinc/98/79/04/384987904.db2.gz ZCVYWHZCHWZJLS-WDEREUQCSA-N 1 0 236.384 3.534 20 30 BHEDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135502110 325416092 /nfs/dbraw/zinc/41/60/92/325416092.db2.gz ZCVYWHZCHWZJLS-MNOVXSKESA-N 1 0 236.384 3.534 20 30 BHEDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135502128 325416083 /nfs/dbraw/zinc/41/60/83/325416083.db2.gz ZCVYWHZCHWZJLS-QWRGUYRKSA-N 1 0 236.384 3.534 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000135534603 343193512 /nfs/dbraw/zinc/19/35/12/343193512.db2.gz NOMNDAIXTBKBPJ-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccsc1 ZINC000135562342 344748304 /nfs/dbraw/zinc/74/83/04/344748304.db2.gz QFGSYRMEJQBDPM-VIFPVBQESA-N 1 0 248.376 3.532 20 30 BHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccsc1 ZINC000135562364 344748471 /nfs/dbraw/zinc/74/84/71/344748471.db2.gz QFGSYRMEJQBDPM-SECBINFHSA-N 1 0 248.376 3.532 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C2(CC)CCC2)cc1 ZINC000135624107 388503250 /nfs/dbraw/zinc/50/32/50/388503250.db2.gz KXPDDBMFTVPWCO-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO N#Cc1ccc(C[NH2+]CCC2=CCCCC2)s1 ZINC000135665172 181108163 /nfs/dbraw/zinc/10/81/63/181108163.db2.gz KYADQRSLSFXHPA-UHFFFAOYSA-N 1 0 246.379 3.600 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC000135665699 323030109 /nfs/dbraw/zinc/03/01/09/323030109.db2.gz LEQOSLCFYBCFRG-GYSYKLTISA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC000135665759 323030133 /nfs/dbraw/zinc/03/01/33/323030133.db2.gz LEQOSLCFYBCFRG-JTNHKYCSSA-N 1 0 248.395 3.534 20 30 BHEDRO N#Cc1ccc(C[NH2+]C2CCCCCCC2)s1 ZINC000135666511 582831116 /nfs/dbraw/zinc/83/11/16/582831116.db2.gz AMRRTAWNGVBDBP-UHFFFAOYSA-N 1 0 248.395 3.822 20 30 BHEDRO N#Cc1ccc(C[NH2+]CCC2CCCCC2)s1 ZINC000135675312 364447060 /nfs/dbraw/zinc/44/70/60/364447060.db2.gz NXMXHDQTRJIBAJ-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135676284 491129313 /nfs/dbraw/zinc/12/93/13/491129313.db2.gz JDMOIBVHBYTFLH-RISCZKNCSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135676310 491129336 /nfs/dbraw/zinc/12/93/36/491129336.db2.gz JDMOIBVHBYTFLH-FZMZJTMJSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135676341 490451753 /nfs/dbraw/zinc/45/17/53/490451753.db2.gz JDMOIBVHBYTFLH-BXUZGUMPSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135676377 490451384 /nfs/dbraw/zinc/45/13/84/490451384.db2.gz JDMOIBVHBYTFLH-SMDDNHRTSA-N 1 0 248.395 3.678 20 30 BHEDRO CCC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135681846 325422215 /nfs/dbraw/zinc/42/22/15/325422215.db2.gz HYBZDYYKRBMCHQ-UHFFFAOYSA-N 1 0 248.395 3.678 20 30 BHEDRO CC1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135686436 325422521 /nfs/dbraw/zinc/42/25/21/325422521.db2.gz WKMODLWVRATKKL-UHFFFAOYSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000135686787 325422471 /nfs/dbraw/zinc/42/24/71/325422471.db2.gz ITVZLKZGWNWLJR-VXGBXAGGSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000135686819 325422539 /nfs/dbraw/zinc/42/25/39/325422539.db2.gz ITVZLKZGWNWLJR-NWDGAFQWSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000135686853 325422474 /nfs/dbraw/zinc/42/24/74/325422474.db2.gz ITVZLKZGWNWLJR-NEPJUHHUSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000135686878 384274900 /nfs/dbraw/zinc/27/49/00/384274900.db2.gz ITVZLKZGWNWLJR-RYUDHWBXSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000135691839 325423142 /nfs/dbraw/zinc/42/31/42/325423142.db2.gz UBKYHFXMWDNCHQ-GYSYKLTISA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000135691898 325423137 /nfs/dbraw/zinc/42/31/37/325423137.db2.gz UBKYHFXMWDNCHQ-JTNHKYCSSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC([NH2+]Cc2ccc(C#N)s2)C[C@@H](C)C1 ZINC000135693135 323030048 /nfs/dbraw/zinc/03/00/48/323030048.db2.gz CURNYYHQMZCLGT-QWRGUYRKSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@H]1CC([NH2+]Cc2ccc(C#N)s2)C[C@H](C)C1 ZINC000135693172 384277160 /nfs/dbraw/zinc/27/71/60/384277160.db2.gz CURNYYHQMZCLGT-GHMZBOCLSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000135693262 384275623 /nfs/dbraw/zinc/27/56/23/384275623.db2.gz ZMBRGWHCRVNIHH-NEPJUHHUSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000135693289 384277335 /nfs/dbraw/zinc/27/73/35/384277335.db2.gz ZMBRGWHCRVNIHH-RYUDHWBXSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000135693321 325422956 /nfs/dbraw/zinc/42/29/56/325422956.db2.gz ZMBRGWHCRVNIHH-VXGBXAGGSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000135693350 384276855 /nfs/dbraw/zinc/27/68/55/384276855.db2.gz ZMBRGWHCRVNIHH-NWDGAFQWSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC000135693556 323030059 /nfs/dbraw/zinc/03/00/59/323030059.db2.gz PCMNBDYORMDXKI-NSHDSACASA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC000135693589 325422870 /nfs/dbraw/zinc/42/28/70/325422870.db2.gz PCMNBDYORMDXKI-LLVKDONJSA-N 1 0 248.395 3.678 20 30 BHEDRO CC1(C)CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135693632 384283856 /nfs/dbraw/zinc/28/38/56/384283856.db2.gz GXJOGDXWOBMMIJ-UHFFFAOYSA-N 1 0 248.395 3.678 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000135708751 388505993 /nfs/dbraw/zinc/50/59/93/388505993.db2.gz WCVKZTCJOCLLJZ-QWRGUYRKSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000135708785 325423461 /nfs/dbraw/zinc/42/34/61/325423461.db2.gz WCVKZTCJOCLLJZ-MNOVXSKESA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000135708821 325423585 /nfs/dbraw/zinc/42/35/85/325423585.db2.gz WCVKZTCJOCLLJZ-WDEREUQCSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000135708844 325423389 /nfs/dbraw/zinc/42/33/89/325423389.db2.gz WCVKZTCJOCLLJZ-GHMZBOCLSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000135712662 388506706 /nfs/dbraw/zinc/50/67/06/388506706.db2.gz NSFWPJIRBZHCIZ-STQMWFEESA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000135712697 325424403 /nfs/dbraw/zinc/42/44/03/325424403.db2.gz NSFWPJIRBZHCIZ-OLZOCXBDSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000135712731 388506786 /nfs/dbraw/zinc/50/67/86/388506786.db2.gz NSFWPJIRBZHCIZ-QWHCGFSZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000135712759 325424226 /nfs/dbraw/zinc/42/42/26/325424226.db2.gz NSFWPJIRBZHCIZ-CHWSQXEVSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000135712886 388506335 /nfs/dbraw/zinc/50/63/35/388506335.db2.gz CNJRBSFOURBXTA-STQMWFEESA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000135712912 325424188 /nfs/dbraw/zinc/42/41/88/325424188.db2.gz CNJRBSFOURBXTA-OLZOCXBDSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000135712947 388506243 /nfs/dbraw/zinc/50/62/43/388506243.db2.gz CNJRBSFOURBXTA-QWHCGFSZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000135712981 388506785 /nfs/dbraw/zinc/50/67/85/388506785.db2.gz CNJRBSFOURBXTA-CHWSQXEVSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000135713567 388506738 /nfs/dbraw/zinc/50/67/38/388506738.db2.gz KPXFXIWJNYMBIO-QWRGUYRKSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000135713599 325424298 /nfs/dbraw/zinc/42/42/98/325424298.db2.gz KPXFXIWJNYMBIO-MNOVXSKESA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000135713636 325424320 /nfs/dbraw/zinc/42/43/20/325424320.db2.gz KPXFXIWJNYMBIO-WDEREUQCSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000135713670 388506720 /nfs/dbraw/zinc/50/67/20/388506720.db2.gz KPXFXIWJNYMBIO-GHMZBOCLSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000135720703 353567875 /nfs/dbraw/zinc/56/78/75/353567875.db2.gz JVTJJRWUIJWPSF-STQMWFEESA-N 1 0 228.339 3.564 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000135720738 345451922 /nfs/dbraw/zinc/45/19/22/345451922.db2.gz JVTJJRWUIJWPSF-OLZOCXBDSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000135720771 353568134 /nfs/dbraw/zinc/56/81/34/353568134.db2.gz JVTJJRWUIJWPSF-QWHCGFSZSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000135720800 353567279 /nfs/dbraw/zinc/56/72/79/353567279.db2.gz JVTJJRWUIJWPSF-CHWSQXEVSA-N 1 0 228.339 3.564 20 30 BHEDRO CC[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C#N ZINC000135786216 388508085 /nfs/dbraw/zinc/50/80/85/388508085.db2.gz NDNCTUBNXYLDIV-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H]1CCCCC[N@@H+]1CCC(C)(C)C#N ZINC000135786243 388508344 /nfs/dbraw/zinc/50/83/44/388508344.db2.gz NDNCTUBNXYLDIV-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000135833297 592060207 /nfs/dbraw/zinc/06/02/07/592060207.db2.gz ZIWSIPCIVDMYMD-GFCCVEGCSA-N 1 0 223.747 3.707 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000135833333 592059688 /nfs/dbraw/zinc/05/96/88/592059688.db2.gz ZIWSIPCIVDMYMD-LBPRGKRZSA-N 1 0 223.747 3.707 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000135833911 592060103 /nfs/dbraw/zinc/06/01/03/592060103.db2.gz QWGFZIMFRRFLDZ-ZDUSSCGKSA-N 1 0 223.747 3.788 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000135833944 592060250 /nfs/dbraw/zinc/06/02/50/592060250.db2.gz QWGFZIMFRRFLDZ-CYBMUJFWSA-N 1 0 223.747 3.788 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000135833991 592060071 /nfs/dbraw/zinc/06/00/71/592060071.db2.gz BSBRTTAALXQFGP-LLVKDONJSA-N 1 0 239.771 3.566 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCSc2ccccc21 ZINC000135834018 592059964 /nfs/dbraw/zinc/05/99/64/592059964.db2.gz BSBRTTAALXQFGP-NSHDSACASA-N 1 0 239.771 3.566 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CCC)c1ccccc1 ZINC000135835989 592059656 /nfs/dbraw/zinc/05/96/56/592059656.db2.gz WISNEUTWVVZNDT-ZDUSSCGKSA-N 1 0 223.747 3.870 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CCC)c1ccccc1 ZINC000135836016 592059834 /nfs/dbraw/zinc/05/98/34/592059834.db2.gz WISNEUTWVVZNDT-CYBMUJFWSA-N 1 0 223.747 3.870 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000135836320 592059979 /nfs/dbraw/zinc/05/99/79/592059979.db2.gz CQBRMPYWNDVFPZ-ZDUSSCGKSA-N 1 0 223.747 3.726 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000135836357 592059743 /nfs/dbraw/zinc/05/97/43/592059743.db2.gz CQBRMPYWNDVFPZ-CYBMUJFWSA-N 1 0 223.747 3.726 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000136203207 325445781 /nfs/dbraw/zinc/44/57/81/325445781.db2.gz WWRIRBHENZTRFH-UWVGGRQHSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000136203243 388526753 /nfs/dbraw/zinc/52/67/53/388526753.db2.gz WWRIRBHENZTRFH-ZJUUUORDSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000136203276 388527075 /nfs/dbraw/zinc/52/70/75/388527075.db2.gz WWRIRBHENZTRFH-VHSXEESVSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000136203306 388526811 /nfs/dbraw/zinc/52/68/11/388526811.db2.gz WWRIRBHENZTRFH-NXEZZACHSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000136203346 325445596 /nfs/dbraw/zinc/44/55/96/325445596.db2.gz YADPAERBUIEPSA-UWVGGRQHSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000136203382 325445650 /nfs/dbraw/zinc/44/56/50/325445650.db2.gz YADPAERBUIEPSA-ZJUUUORDSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000136203417 323181033 /nfs/dbraw/zinc/18/10/33/323181033.db2.gz YADPAERBUIEPSA-VHSXEESVSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000136203451 388526762 /nfs/dbraw/zinc/52/67/62/388526762.db2.gz YADPAERBUIEPSA-NXEZZACHSA-N 1 0 209.720 3.565 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000136464675 592128341 /nfs/dbraw/zinc/12/83/41/592128341.db2.gz IDKBFBYUXDCIFL-SOUVJXGZSA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000136464767 592128389 /nfs/dbraw/zinc/12/83/89/592128389.db2.gz IDKBFBYUXDCIFL-RRFJBIMHSA-N 1 0 241.419 3.750 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1C=CCCC1 ZINC000136723974 346290455 /nfs/dbraw/zinc/29/04/55/346290455.db2.gz CVCWVQZPRKTVNR-INIZCTEOSA-N 1 0 227.351 3.783 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000136724024 346290707 /nfs/dbraw/zinc/29/07/07/346290707.db2.gz CVCWVQZPRKTVNR-MRXNPFEDSA-N 1 0 227.351 3.783 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCC1CCCC1 ZINC000136958426 323032581 /nfs/dbraw/zinc/03/25/81/323032581.db2.gz KVPWFSXZFZUTIP-JSGCOSHPSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCC1CCCC1 ZINC000136958470 325472970 /nfs/dbraw/zinc/47/29/70/325472970.db2.gz KVPWFSXZFZUTIP-GXTWGEPZSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCC1CCCC1 ZINC000136958510 388553177 /nfs/dbraw/zinc/55/31/77/388553177.db2.gz KVPWFSXZFZUTIP-OCCSQVGLSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCC1CCCC1 ZINC000136958549 388552779 /nfs/dbraw/zinc/55/27/79/388552779.db2.gz KVPWFSXZFZUTIP-TZMCWYRMSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000136960204 345565633 /nfs/dbraw/zinc/56/56/33/345565633.db2.gz UKOPBXCMVFHZOR-HOCLYGCPSA-N 1 0 244.382 3.598 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000136960240 345565183 /nfs/dbraw/zinc/56/51/83/345565183.db2.gz UKOPBXCMVFHZOR-GOEBONIOSA-N 1 0 244.382 3.598 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000136960282 345565526 /nfs/dbraw/zinc/56/55/26/345565526.db2.gz UKOPBXCMVFHZOR-ZBFHGGJFSA-N 1 0 244.382 3.598 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000136960318 345565132 /nfs/dbraw/zinc/56/51/32/345565132.db2.gz UKOPBXCMVFHZOR-GDBMZVCRSA-N 1 0 244.382 3.598 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](CC)CC#N ZINC000136960928 388552643 /nfs/dbraw/zinc/55/26/43/388552643.db2.gz KCTWQNZHEMMOLN-RDBSUJKOSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](CC)CC#N ZINC000136961002 388552897 /nfs/dbraw/zinc/55/28/97/388552897.db2.gz KCTWQNZHEMMOLN-HZSPNIEDSA-N 1 0 222.376 3.627 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccc(C)s1)C(C)C ZINC000138936356 345789551 /nfs/dbraw/zinc/78/95/51/345789551.db2.gz HCRRMEMLBPHLIV-UHFFFAOYSA-N 1 0 223.385 3.843 20 30 BHEDRO CC#CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000139658882 386094664 /nfs/dbraw/zinc/09/46/64/386094664.db2.gz VPKVYBUPKWFUPD-ZDUSSCGKSA-N 1 0 223.319 3.514 20 30 BHEDRO C=C(C[NH2+]CCCC(C)C)c1ccccc1 ZINC000148022647 385362917 /nfs/dbraw/zinc/36/29/17/385362917.db2.gz RPCYXOUWFXPJAZ-UHFFFAOYSA-N 1 0 217.356 3.726 20 30 BHEDRO C=C(C[NH2+][C@H](CC)CCC)c1ccccc1 ZINC000148031927 191102343 /nfs/dbraw/zinc/10/23/43/191102343.db2.gz UGXBEPVNFTUNPG-OAHLLOKOSA-N 1 0 217.356 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H](CC)CCC)c1ccccc1 ZINC000148032125 191101693 /nfs/dbraw/zinc/10/16/93/191101693.db2.gz UGXBEPVNFTUNPG-HNNXBMFYSA-N 1 0 217.356 3.868 20 30 BHEDRO C=C(C)C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000148311057 343119850 /nfs/dbraw/zinc/11/98/50/343119850.db2.gz OCDGQCUPLUZKCE-UHFFFAOYSA-N 1 0 223.747 3.741 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000149518728 385111873 /nfs/dbraw/zinc/11/18/73/385111873.db2.gz MJFHNFXLQMTJKH-LBPRGKRZSA-N 1 0 248.395 3.678 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000149518943 385107805 /nfs/dbraw/zinc/10/78/05/385107805.db2.gz MJFHNFXLQMTJKH-GFCCVEGCSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]([NH2+]CC1(CC#N)CC1)C1CCCCCC1 ZINC000150193014 387707335 /nfs/dbraw/zinc/70/73/35/387707335.db2.gz YUXNAPFOEWUIPS-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)C1CCCCCC1 ZINC000150290605 387713322 /nfs/dbraw/zinc/71/33/22/387713322.db2.gz YUXNAPFOEWUIPS-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C#CCCCC[NH2+]Cc1csc2ccccc12 ZINC000150730452 166127080 /nfs/dbraw/zinc/12/70/80/166127080.db2.gz RHJMFWXYMMAHAJ-UHFFFAOYSA-N 1 0 243.375 3.794 20 30 BHEDRO C#CCCCC[NH2+]Cc1cc2ccccc2s1 ZINC000150731228 640078920 /nfs/dbraw/zinc/07/89/20/640078920.db2.gz HULZTWGWCXWRJM-UHFFFAOYSA-N 1 0 243.375 3.794 20 30 BHEDRO C#CCCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000150731561 166127055 /nfs/dbraw/zinc/12/70/55/166127055.db2.gz PWPCRECANXNTNY-UHFFFAOYSA-N 1 0 237.346 3.733 20 30 BHEDRO C#CCCCC[NH2+]Cc1cccc2ccccc21 ZINC000150732845 166126898 /nfs/dbraw/zinc/12/68/98/166126898.db2.gz GPUUWTLRHDYGQF-UHFFFAOYSA-N 1 0 237.346 3.733 20 30 BHEDRO CCCC1(C[NH2+]Cc2ccc(C#N)s2)CCC1 ZINC000150800106 322998131 /nfs/dbraw/zinc/99/81/31/322998131.db2.gz BJJAIKVWCOVZHB-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO CCCC1(C[NH2+]CC(C)(C)CCC#N)CCC1 ZINC000150805608 322998556 /nfs/dbraw/zinc/99/85/56/322998556.db2.gz JLEKYXUVDYOCGV-UHFFFAOYSA-N 1 0 236.403 3.876 20 30 BHEDRO CCCC1(C[NH2+]Cc2cc(C#N)cs2)CCC1 ZINC000150805748 385731584 /nfs/dbraw/zinc/73/15/84/385731584.db2.gz JFKWBJFGFKVLBS-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO C=CCCCCCN(C)Cc1csc(C)n1 ZINC000150883365 323001679 /nfs/dbraw/zinc/00/16/79/323001679.db2.gz RKXGGIMWWJZYJQ-UHFFFAOYSA-N 1 0 238.400 3.630 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151375346 323016066 /nfs/dbraw/zinc/01/60/66/323016066.db2.gz GMUHBPWSHIGJGU-AWEZNQCLSA-N 1 0 242.366 3.783 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151375419 323016084 /nfs/dbraw/zinc/01/60/84/323016084.db2.gz GMUHBPWSHIGJGU-CQSZACIVSA-N 1 0 242.366 3.783 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1cccc(C#N)c1 ZINC000151398058 345343239 /nfs/dbraw/zinc/34/32/39/345343239.db2.gz YAAVIBDDFSETBT-INIZCTEOSA-N 1 0 242.366 3.783 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cccc(C#N)c1 ZINC000151398123 345342765 /nfs/dbraw/zinc/34/27/65/345342765.db2.gz YAAVIBDDFSETBT-MRXNPFEDSA-N 1 0 242.366 3.783 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccco1 ZINC000152052130 201188846 /nfs/dbraw/zinc/18/88/46/201188846.db2.gz BCRFHKKSGYPAJP-LBPRGKRZSA-N 1 0 207.317 3.504 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccco1 ZINC000152052225 201189187 /nfs/dbraw/zinc/18/91/87/201189187.db2.gz BCRFHKKSGYPAJP-GFCCVEGCSA-N 1 0 207.317 3.504 20 30 BHEDRO CCC1(C[NH2+]CC(C)(C)CCC#N)CCCC1 ZINC000152241360 191114440 /nfs/dbraw/zinc/11/44/40/191114440.db2.gz BIPIRGVTTPVNFP-UHFFFAOYSA-N 1 0 236.403 3.876 20 30 BHEDRO CCC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC000152245821 387220744 /nfs/dbraw/zinc/22/07/44/387220744.db2.gz XWVHQBOYFQADPP-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO CCC1(C[NH2+]Cc2cc(C#N)cs2)CCCC1 ZINC000152246137 168478655 /nfs/dbraw/zinc/47/86/55/168478655.db2.gz QRRHJMVGXCJWMA-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000152248584 323134265 /nfs/dbraw/zinc/13/42/65/323134265.db2.gz ILBQFHULYZYNLD-OUCADQQQSA-N 1 0 233.355 3.847 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000152248761 323134204 /nfs/dbraw/zinc/13/42/04/323134204.db2.gz ILBQFHULYZYNLD-SGMGOOAPSA-N 1 0 233.355 3.847 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccccn1 ZINC000152421500 538103524 /nfs/dbraw/zinc/10/35/24/538103524.db2.gz GQHVJYGJBVWXNY-KBPBESRZSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccccn1 ZINC000152421593 538103327 /nfs/dbraw/zinc/10/33/27/538103327.db2.gz GQHVJYGJBVWXNY-UONOGXRCSA-N 1 0 232.371 3.867 20 30 BHEDRO CC(C)CC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000152858087 325807911 /nfs/dbraw/zinc/80/79/11/325807911.db2.gz PSRBAIBVANAIEA-UHFFFAOYSA-N 1 0 248.395 3.536 20 30 BHEDRO CC(C)CC1(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000152888956 388375161 /nfs/dbraw/zinc/37/51/61/388375161.db2.gz IBTDMDYWUXVONZ-UHFFFAOYSA-N 1 0 248.395 3.536 20 30 BHEDRO CC(C)CC1(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000152901541 388891208 /nfs/dbraw/zinc/89/12/08/388891208.db2.gz KCJMYVRTAIXFTL-UHFFFAOYSA-N 1 0 236.403 3.732 20 30 BHEDRO CCCCCCC[N@H+](C)CCc1ccccn1 ZINC000153075960 641698573 /nfs/dbraw/zinc/69/85/73/641698573.db2.gz BNUVZVOMFRDODS-UHFFFAOYSA-N 1 0 234.387 3.526 20 30 BHEDRO C=C(C)C[NH2+]Cc1csc2ccccc12 ZINC000153379559 201234261 /nfs/dbraw/zinc/23/42/61/201234261.db2.gz KPOJAKKCIRGWIL-UHFFFAOYSA-N 1 0 217.337 3.567 20 30 BHEDRO C=C(C)C[NH2+]Cc1cccc(Cl)c1Cl ZINC000153389606 201234650 /nfs/dbraw/zinc/23/46/50/201234650.db2.gz IUCRZSAOVATLAA-UHFFFAOYSA-N 1 0 230.138 3.659 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc2ccccc2c1 ZINC000153390570 201233967 /nfs/dbraw/zinc/23/39/67/201233967.db2.gz QHLQFIDVXBAMOT-UHFFFAOYSA-N 1 0 211.308 3.506 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1nccs1 ZINC000153391913 201237083 /nfs/dbraw/zinc/23/70/83/201237083.db2.gz YYELRLILEIVUQO-QWRGUYRKSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nccs1 ZINC000153392028 201235391 /nfs/dbraw/zinc/23/53/91/201235391.db2.gz YYELRLILEIVUQO-WDEREUQCSA-N 1 0 224.373 3.539 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000153395540 201235990 /nfs/dbraw/zinc/23/59/90/201235990.db2.gz SSHVWRYHDXXNCY-UHFFFAOYSA-N 1 0 230.138 3.659 20 30 BHEDRO C=CC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000153415724 388971618 /nfs/dbraw/zinc/97/16/18/388971618.db2.gz LTXXEMAKAUTKSV-UHFFFAOYSA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1nccs1 ZINC000153431027 344873670 /nfs/dbraw/zinc/87/36/70/344873670.db2.gz SFPSLCIXTWBOOI-RYUDHWBXSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1nccs1 ZINC000153431111 201237005 /nfs/dbraw/zinc/23/70/05/201237005.db2.gz SFPSLCIXTWBOOI-NWDGAFQWSA-N 1 0 238.400 3.929 20 30 BHEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000153456168 388975550 /nfs/dbraw/zinc/97/55/50/388975550.db2.gz ZMIHLJOLPBBCFY-LBPRGKRZSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000153456280 388975934 /nfs/dbraw/zinc/97/59/34/388975934.db2.gz ZMIHLJOLPBBCFY-GFCCVEGCSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000153460361 388975799 /nfs/dbraw/zinc/97/57/99/388975799.db2.gz LTWNDJUMAFYWBB-ZDUSSCGKSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000153460452 388974963 /nfs/dbraw/zinc/97/49/63/388974963.db2.gz LTWNDJUMAFYWBB-CYBMUJFWSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000153465571 388975219 /nfs/dbraw/zinc/97/52/19/388975219.db2.gz DQZBXZXTDNTSJW-AWEZNQCLSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)C[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000153465691 388974936 /nfs/dbraw/zinc/97/49/36/388974936.db2.gz DQZBXZXTDNTSJW-CQSZACIVSA-N 1 0 236.403 3.827 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000153635296 537840680 /nfs/dbraw/zinc/84/06/80/537840680.db2.gz UFYMNLAQNAYSLB-LBPRGKRZSA-N 1 0 227.307 3.611 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000153635424 537840132 /nfs/dbraw/zinc/84/01/32/537840132.db2.gz UFYMNLAQNAYSLB-GFCCVEGCSA-N 1 0 227.307 3.611 20 30 BHEDRO CC[N@H+](CC(C)(C)CCC#N)C1CCCC1 ZINC000153684457 326107741 /nfs/dbraw/zinc/10/77/41/326107741.db2.gz SGEMTSUXMXVZSX-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C)nc1 ZINC000153920696 345002292 /nfs/dbraw/zinc/00/22/92/345002292.db2.gz LVYHVUXMRADFTC-UHFFFAOYSA-N 1 0 232.371 3.568 20 30 BHEDRO C=CCCC[N@H+](C)CCCCC(F)(F)F ZINC000153982434 384555623 /nfs/dbraw/zinc/55/56/23/384555623.db2.gz OXHYQGDSVHSBIP-UHFFFAOYSA-N 1 0 223.282 3.617 20 30 BHEDRO C=C[C@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000154252177 201272064 /nfs/dbraw/zinc/27/20/64/201272064.db2.gz OHZVRGWECNUDMK-JKDOVBDQSA-N 1 0 235.758 3.750 20 30 BHEDRO C=C[C@@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000154252275 201272170 /nfs/dbraw/zinc/27/21/70/201272170.db2.gz OHZVRGWECNUDMK-PWQPVHBWSA-N 1 0 235.758 3.750 20 30 BHEDRO CCCCC[N@H+](Cc1ccc(C#N)o1)C(C)C ZINC000154353132 326140931 /nfs/dbraw/zinc/14/09/31/326140931.db2.gz ALJNRHZXWAMZLU-UHFFFAOYSA-N 1 0 234.343 3.552 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000154408554 326143029 /nfs/dbraw/zinc/14/30/29/326143029.db2.gz MOCBAZIWCVEHHI-ZDUSSCGKSA-N 1 0 244.382 3.938 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000154408666 326143272 /nfs/dbraw/zinc/14/32/72/326143272.db2.gz MOCBAZIWCVEHHI-CYBMUJFWSA-N 1 0 244.382 3.938 20 30 BHEDRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C#N)CC1 ZINC000154501624 385332806 /nfs/dbraw/zinc/33/28/06/385332806.db2.gz OSZFZGGWUHSGAI-HNNXBMFYSA-N 1 0 246.329 3.512 20 30 BHEDRO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(C#N)CC1 ZINC000154501730 385333018 /nfs/dbraw/zinc/33/30/18/385333018.db2.gz OSZFZGGWUHSGAI-OAHLLOKOSA-N 1 0 246.329 3.512 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000154702799 538649775 /nfs/dbraw/zinc/64/97/75/538649775.db2.gz YLGJJRRPQZOYIA-LKFCYVNXSA-N 1 0 237.293 3.506 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000154702896 538649817 /nfs/dbraw/zinc/64/98/17/538649817.db2.gz YLGJJRRPQZOYIA-YMTOWFKASA-N 1 0 237.293 3.506 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000154703004 538649797 /nfs/dbraw/zinc/64/97/97/538649797.db2.gz YLGJJRRPQZOYIA-XPTSAGLGSA-N 1 0 237.293 3.506 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000154703113 538649757 /nfs/dbraw/zinc/64/97/57/538649757.db2.gz YLGJJRRPQZOYIA-OTYXRUKQSA-N 1 0 237.293 3.506 20 30 BHEDRO CC#CCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000155015024 326179767 /nfs/dbraw/zinc/17/97/67/326179767.db2.gz CGRNWDBHKGOBEU-ZDUSSCGKSA-N 1 0 241.334 3.839 20 30 BHEDRO CC#CCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000155015137 326179344 /nfs/dbraw/zinc/17/93/44/326179344.db2.gz CGRNWDBHKGOBEU-CYBMUJFWSA-N 1 0 241.334 3.839 20 30 BHEDRO N#CCCCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000155097402 385375145 /nfs/dbraw/zinc/37/51/45/385375145.db2.gz HWOYQBBSXIIAJF-OAHLLOKOSA-N 1 0 246.329 3.560 20 30 BHEDRO N#CCCCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000155097508 385375684 /nfs/dbraw/zinc/37/56/84/385375684.db2.gz HWOYQBBSXIIAJF-HNNXBMFYSA-N 1 0 246.329 3.560 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000155134332 326186402 /nfs/dbraw/zinc/18/64/02/326186402.db2.gz OUUMQVAEBANVBC-MRXNPFEDSA-N 1 0 227.351 3.545 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000155134438 323000721 /nfs/dbraw/zinc/00/07/21/323000721.db2.gz OUUMQVAEBANVBC-INIZCTEOSA-N 1 0 227.351 3.545 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000155180327 323000805 /nfs/dbraw/zinc/00/08/05/323000805.db2.gz WRSFCIISGVWGJP-MRXNPFEDSA-N 1 0 227.351 3.545 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000155180453 326187457 /nfs/dbraw/zinc/18/74/57/326187457.db2.gz WRSFCIISGVWGJP-INIZCTEOSA-N 1 0 227.351 3.545 20 30 BHEDRO CC[C@@H](c1ccc(F)cc1)[N@H+](CC)C[C@@H](C)C#N ZINC000155200090 326188572 /nfs/dbraw/zinc/18/85/72/326188572.db2.gz ITTNEQNEVRGMJI-WFASDCNBSA-N 1 0 248.345 3.758 20 30 BHEDRO CC[C@H](c1ccc(F)cc1)[N@H+](CC)C[C@@H](C)C#N ZINC000155200184 326188537 /nfs/dbraw/zinc/18/85/37/326188537.db2.gz ITTNEQNEVRGMJI-SWLSCSKDSA-N 1 0 248.345 3.758 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(C)c1 ZINC000155200542 326188490 /nfs/dbraw/zinc/18/84/90/326188490.db2.gz JWLIRNQNNXOSSB-KBPBESRZSA-N 1 0 230.355 3.538 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(C)c1 ZINC000155200675 326188794 /nfs/dbraw/zinc/18/87/94/326188794.db2.gz JWLIRNQNNXOSSB-KGLIPLIRSA-N 1 0 230.355 3.538 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H](C)C#N ZINC000155212188 326189130 /nfs/dbraw/zinc/18/91/30/326189130.db2.gz BSJUVNHXLSJNIT-ZFWWWQNUSA-N 1 0 230.355 3.619 20 30 BHEDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H](C)C#N ZINC000155212294 326189048 /nfs/dbraw/zinc/18/90/48/326189048.db2.gz BSJUVNHXLSJNIT-DZGCQCFKSA-N 1 0 230.355 3.619 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1ccccc1C ZINC000155219049 326189167 /nfs/dbraw/zinc/18/91/67/326189167.db2.gz OSNPGPWEKDYBIC-JSGCOSHPSA-N 1 0 230.355 3.538 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccccc1C ZINC000155219162 326189075 /nfs/dbraw/zinc/18/90/75/326189075.db2.gz OSNPGPWEKDYBIC-OCCSQVGLSA-N 1 0 230.355 3.538 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCc2ccccc21 ZINC000155298684 326192022 /nfs/dbraw/zinc/19/20/22/326192022.db2.gz JKBUTPQLGNNSGS-XJKSGUPXSA-N 1 0 242.366 3.546 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCc2ccccc21 ZINC000155298791 326191859 /nfs/dbraw/zinc/19/18/59/326191859.db2.gz JKBUTPQLGNNSGS-CZUORRHYSA-N 1 0 242.366 3.546 20 30 BHEDRO C#CC[N@@H+](CCCCC(F)(F)F)C1CCCC1 ZINC000155486820 632107053 /nfs/dbraw/zinc/10/70/53/632107053.db2.gz APQJEESRNYZOSP-UHFFFAOYSA-N 1 0 247.304 3.597 20 30 BHEDRO C=CCCOCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000155647637 201343251 /nfs/dbraw/zinc/34/32/51/201343251.db2.gz XSZGZFABRNLPAD-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000155647741 201344634 /nfs/dbraw/zinc/34/46/34/201344634.db2.gz XSZGZFABRNLPAD-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000155716166 323002304 /nfs/dbraw/zinc/00/23/04/323002304.db2.gz HJUUPVXEYWEYRT-CYBMUJFWSA-N 1 0 233.380 3.607 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000155716273 326208976 /nfs/dbraw/zinc/20/89/76/326208976.db2.gz HJUUPVXEYWEYRT-ZDUSSCGKSA-N 1 0 233.380 3.607 20 30 BHEDRO CCCCCCCC[N@H+](C)CC1CCOCC1 ZINC000155788165 639454562 /nfs/dbraw/zinc/45/45/62/639454562.db2.gz KKUBWLYYPVQERF-UHFFFAOYSA-N 1 0 241.419 3.705 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000155947740 345116230 /nfs/dbraw/zinc/11/62/30/345116230.db2.gz LPEHNJQYIQWNFA-NSHDSACASA-N 1 0 229.323 3.795 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000155947853 345116240 /nfs/dbraw/zinc/11/62/40/345116240.db2.gz LPEHNJQYIQWNFA-LLVKDONJSA-N 1 0 229.323 3.795 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCc1ccco1 ZINC000156023812 201384572 /nfs/dbraw/zinc/38/45/72/201384572.db2.gz OIMOECSNXAVOMB-ZDUSSCGKSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCc1ccco1 ZINC000156023922 201384246 /nfs/dbraw/zinc/38/42/46/201384246.db2.gz OIMOECSNXAVOMB-CYBMUJFWSA-N 1 0 221.344 3.547 20 30 BHEDRO C#CCCCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000156098993 632121347 /nfs/dbraw/zinc/12/13/47/632121347.db2.gz VTMHFKYTUKVFOM-UHFFFAOYSA-N 1 0 241.334 3.634 20 30 BHEDRO CC(C)[N@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000156144404 326220544 /nfs/dbraw/zinc/22/05/44/326220544.db2.gz JUJUOTQBGFXCFM-UHFFFAOYSA-N 1 0 247.769 3.564 20 30 BHEDRO C[C@@H](CC1CCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC000156480066 326234041 /nfs/dbraw/zinc/23/40/41/326234041.db2.gz UJBAUZQXCBUNBJ-ZDUSSCGKSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@H](CC1CCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC000156480192 326233877 /nfs/dbraw/zinc/23/38/77/326233877.db2.gz UJBAUZQXCBUNBJ-CYBMUJFWSA-N 1 0 242.366 3.617 20 30 BHEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000156941545 326249766 /nfs/dbraw/zinc/24/97/66/326249766.db2.gz CFNKIWZHFKOXNX-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCCC#N ZINC000156941688 326249910 /nfs/dbraw/zinc/24/99/10/326249910.db2.gz CFNKIWZHFKOXNX-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)s1)C1CCCCC1 ZINC000156953250 326249727 /nfs/dbraw/zinc/24/97/27/326249727.db2.gz MBAAKITURAOAGU-UHFFFAOYSA-N 1 0 248.395 3.774 20 30 BHEDRO CC[N@H+](Cc1cc(C#N)cs1)C1CCCCC1 ZINC000156955268 326250486 /nfs/dbraw/zinc/25/04/86/326250486.db2.gz FRSMQNXQHMGJMY-UHFFFAOYSA-N 1 0 248.395 3.774 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000157215460 387768903 /nfs/dbraw/zinc/76/89/03/387768903.db2.gz FRKYIQBKMZKHQB-GWCFXTLKSA-N 1 0 223.747 3.955 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000157215619 387771288 /nfs/dbraw/zinc/77/12/88/387771288.db2.gz FRKYIQBKMZKHQB-GXFFZTMASA-N 1 0 223.747 3.955 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000157215776 387771124 /nfs/dbraw/zinc/77/11/24/387771124.db2.gz FRKYIQBKMZKHQB-MFKMUULPSA-N 1 0 223.747 3.955 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000157215922 385113196 /nfs/dbraw/zinc/11/31/96/385113196.db2.gz FRKYIQBKMZKHQB-ZWNOBZJWSA-N 1 0 223.747 3.955 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CCC)c1ccccc1 ZINC000157216379 534669831 /nfs/dbraw/zinc/66/98/31/534669831.db2.gz RCMWTAIQOSMYOF-JSGCOSHPSA-N 1 0 203.329 3.692 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CCC)c1ccccc1 ZINC000157216533 385112525 /nfs/dbraw/zinc/11/25/25/385112525.db2.gz RCMWTAIQOSMYOF-GXTWGEPZSA-N 1 0 203.329 3.692 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CCC)c1ccccc1 ZINC000157216655 387053686 /nfs/dbraw/zinc/05/36/86/387053686.db2.gz RCMWTAIQOSMYOF-OCCSQVGLSA-N 1 0 203.329 3.692 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CCC)c1ccccc1 ZINC000157216793 534512157 /nfs/dbraw/zinc/51/21/57/534512157.db2.gz RCMWTAIQOSMYOF-TZMCWYRMSA-N 1 0 203.329 3.692 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000157219144 387068996 /nfs/dbraw/zinc/06/89/96/387068996.db2.gz FIUODFANZAXHBE-QWHCGFSZSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000157219286 387071897 /nfs/dbraw/zinc/07/18/97/387071897.db2.gz FIUODFANZAXHBE-STQMWFEESA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000157219421 205839158 /nfs/dbraw/zinc/83/91/58/205839158.db2.gz FIUODFANZAXHBE-CHWSQXEVSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000157219592 205840871 /nfs/dbraw/zinc/84/08/71/205840871.db2.gz FIUODFANZAXHBE-OLZOCXBDSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000157223447 361071276 /nfs/dbraw/zinc/07/12/76/361071276.db2.gz ZEQSHIWJFZEZOU-JSGCOSHPSA-N 1 0 203.329 3.610 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000157223582 361071367 /nfs/dbraw/zinc/07/13/67/361071367.db2.gz ZEQSHIWJFZEZOU-GXTWGEPZSA-N 1 0 203.329 3.610 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000157223727 361071231 /nfs/dbraw/zinc/07/12/31/361071231.db2.gz ZEQSHIWJFZEZOU-OCCSQVGLSA-N 1 0 203.329 3.610 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000157223891 361071311 /nfs/dbraw/zinc/07/13/11/361071311.db2.gz ZEQSHIWJFZEZOU-TZMCWYRMSA-N 1 0 203.329 3.610 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000157231367 387774378 /nfs/dbraw/zinc/77/43/78/387774378.db2.gz YYAZLJWXMUIFMV-YUMQZZPRSA-N 1 0 215.749 3.627 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000157231517 397933422 /nfs/dbraw/zinc/93/34/22/397933422.db2.gz YYAZLJWXMUIFMV-SFYZADRCSA-N 1 0 215.749 3.627 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000157231681 397933411 /nfs/dbraw/zinc/93/34/11/397933411.db2.gz YYAZLJWXMUIFMV-JGVFFNPUSA-N 1 0 215.749 3.627 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000157231823 397933314 /nfs/dbraw/zinc/93/33/14/397933314.db2.gz YYAZLJWXMUIFMV-HTQZYQBOSA-N 1 0 215.749 3.627 20 30 BHEDRO C=C[C@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000157232588 538813907 /nfs/dbraw/zinc/81/39/07/538813907.db2.gz ANKNKXITUXJLBJ-HIFPTAJRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=C[C@@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000157232743 538813631 /nfs/dbraw/zinc/81/36/31/538813631.db2.gz ANKNKXITUXJLBJ-PNESKVBLSA-N 1 0 209.377 3.755 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000157239028 385097067 /nfs/dbraw/zinc/09/70/67/385097067.db2.gz MEMDXQGCIQAXPL-QXEWZRGKSA-N 1 0 239.409 3.838 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000157239178 387117431 /nfs/dbraw/zinc/11/74/31/387117431.db2.gz MEMDXQGCIQAXPL-ATZCPNFKSA-N 1 0 239.409 3.838 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000157239323 191091001 /nfs/dbraw/zinc/09/10/01/191091001.db2.gz MEMDXQGCIQAXPL-YWVKMMECSA-N 1 0 239.409 3.838 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000157239460 387117185 /nfs/dbraw/zinc/11/71/85/387117185.db2.gz MEMDXQGCIQAXPL-WCABBAIRSA-N 1 0 239.409 3.838 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000157240210 191840043 /nfs/dbraw/zinc/84/00/43/191840043.db2.gz NPTNNBYSXRCIIR-QWRGUYRKSA-N 1 0 235.396 3.852 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000157240361 387118712 /nfs/dbraw/zinc/11/87/12/387118712.db2.gz NPTNNBYSXRCIIR-MNOVXSKESA-N 1 0 235.396 3.852 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000157240514 387118130 /nfs/dbraw/zinc/11/81/30/387118130.db2.gz NPTNNBYSXRCIIR-WDEREUQCSA-N 1 0 235.396 3.852 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000157240662 219903874 /nfs/dbraw/zinc/90/38/74/219903874.db2.gz NPTNNBYSXRCIIR-GHMZBOCLSA-N 1 0 235.396 3.852 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(CCC)cc1 ZINC000157244736 387776311 /nfs/dbraw/zinc/77/63/11/387776311.db2.gz YRRXDCMRTOOPJX-QWHCGFSZSA-N 1 0 217.356 3.864 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000157244885 387775468 /nfs/dbraw/zinc/77/54/68/387775468.db2.gz YRRXDCMRTOOPJX-STQMWFEESA-N 1 0 217.356 3.864 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(CCC)cc1 ZINC000157245038 387775613 /nfs/dbraw/zinc/77/56/13/387775613.db2.gz YRRXDCMRTOOPJX-CHWSQXEVSA-N 1 0 217.356 3.864 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000157245179 387775292 /nfs/dbraw/zinc/77/52/92/387775292.db2.gz YRRXDCMRTOOPJX-OLZOCXBDSA-N 1 0 217.356 3.864 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000157250159 387775880 /nfs/dbraw/zinc/77/58/80/387775880.db2.gz AUXOFFNUNDUMAH-SWLSCSKDSA-N 1 0 217.356 3.864 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000157250310 387775382 /nfs/dbraw/zinc/77/53/82/387775382.db2.gz AUXOFFNUNDUMAH-WFASDCNBSA-N 1 0 217.356 3.864 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000157250468 206081926 /nfs/dbraw/zinc/08/19/26/206081926.db2.gz AUXOFFNUNDUMAH-IUODEOHRSA-N 1 0 217.356 3.864 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000157250616 191840826 /nfs/dbraw/zinc/84/08/26/191840826.db2.gz AUXOFFNUNDUMAH-DOMZBBRYSA-N 1 0 217.356 3.864 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000157255349 387775232 /nfs/dbraw/zinc/77/52/32/387775232.db2.gz DJRWIBLGJQINKU-UWVGGRQHSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000157255477 256633048 /nfs/dbraw/zinc/63/30/48/256633048.db2.gz DJRWIBLGJQINKU-ZJUUUORDSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000157255615 387775908 /nfs/dbraw/zinc/77/59/08/387775908.db2.gz DJRWIBLGJQINKU-VHSXEESVSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000157255742 191091206 /nfs/dbraw/zinc/09/12/06/191091206.db2.gz DJRWIBLGJQINKU-NXEZZACHSA-N 1 0 209.720 3.565 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000157256540 640652591 /nfs/dbraw/zinc/65/25/91/640652591.db2.gz XDIHCRAYGXBHEP-IGQOVBAYSA-N 1 0 207.361 3.509 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000157258960 206082493 /nfs/dbraw/zinc/08/24/93/206082493.db2.gz ZVQXFZQASYXFNM-IUCAKERBSA-N 1 0 227.710 3.704 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000157259116 387776417 /nfs/dbraw/zinc/77/64/17/387776417.db2.gz ZVQXFZQASYXFNM-BDAKNGLRSA-N 1 0 227.710 3.704 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000157259245 387775831 /nfs/dbraw/zinc/77/58/31/387775831.db2.gz ZVQXFZQASYXFNM-DTWKUNHWSA-N 1 0 227.710 3.704 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000157259392 206082289 /nfs/dbraw/zinc/08/22/89/206082289.db2.gz ZVQXFZQASYXFNM-RKDXNWHRSA-N 1 0 227.710 3.704 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000157266479 201561049 /nfs/dbraw/zinc/56/10/49/201561049.db2.gz NGLULCAOIZQRPF-QWHCGFSZSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000157266632 387777503 /nfs/dbraw/zinc/77/75/03/387777503.db2.gz NGLULCAOIZQRPF-STQMWFEESA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000157266784 387778685 /nfs/dbraw/zinc/77/86/85/387778685.db2.gz NGLULCAOIZQRPF-CHWSQXEVSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000157266947 201561545 /nfs/dbraw/zinc/56/15/45/201561545.db2.gz NGLULCAOIZQRPF-OLZOCXBDSA-N 1 0 203.329 3.529 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000157267740 387778301 /nfs/dbraw/zinc/77/83/01/387778301.db2.gz QAMAUWTWRUQWDA-QWRGUYRKSA-N 1 0 221.369 3.634 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000157267891 385122877 /nfs/dbraw/zinc/12/28/77/385122877.db2.gz QAMAUWTWRUQWDA-MNOVXSKESA-N 1 0 221.369 3.634 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000157268048 534668890 /nfs/dbraw/zinc/66/88/90/534668890.db2.gz QAMAUWTWRUQWDA-WDEREUQCSA-N 1 0 221.369 3.634 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000157268170 387777540 /nfs/dbraw/zinc/77/75/40/387777540.db2.gz QAMAUWTWRUQWDA-GHMZBOCLSA-N 1 0 221.369 3.634 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000157268907 641616178 /nfs/dbraw/zinc/61/61/78/641616178.db2.gz IEBVORQFNJZKOF-JOYOIKCWSA-N 1 0 237.343 3.527 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000157269052 641616263 /nfs/dbraw/zinc/61/62/63/641616263.db2.gz IEBVORQFNJZKOF-BXKDBHETSA-N 1 0 237.343 3.527 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000157269189 133483141 /nfs/dbraw/zinc/48/31/41/133483141.db2.gz IEBVORQFNJZKOF-CABZTGNLSA-N 1 0 237.343 3.527 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000157269333 641616785 /nfs/dbraw/zinc/61/67/85/641616785.db2.gz IEBVORQFNJZKOF-SKDRFNHKSA-N 1 0 237.343 3.527 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000157270689 133483428 /nfs/dbraw/zinc/48/34/28/133483428.db2.gz WJCLCCBSYVMJKA-XUJVJEKNSA-N 1 0 215.340 3.789 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000157270840 385123368 /nfs/dbraw/zinc/12/33/68/385123368.db2.gz WJCLCCBSYVMJKA-HUBLWGQQSA-N 1 0 215.340 3.789 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000157270993 385123339 /nfs/dbraw/zinc/12/33/39/385123339.db2.gz WJCLCCBSYVMJKA-TYNCELHUSA-N 1 0 215.340 3.789 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000157271155 534669033 /nfs/dbraw/zinc/66/90/33/534669033.db2.gz WJCLCCBSYVMJKA-SLEUVZQESA-N 1 0 215.340 3.789 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000157275681 385125777 /nfs/dbraw/zinc/12/57/77/385125777.db2.gz NRLDGVBYPVNNQH-UWVGGRQHSA-N 1 0 232.352 3.521 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000157275817 385126733 /nfs/dbraw/zinc/12/67/33/385126733.db2.gz NRLDGVBYPVNNQH-ZJUUUORDSA-N 1 0 232.352 3.521 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000157275959 385128123 /nfs/dbraw/zinc/12/81/23/385128123.db2.gz NRLDGVBYPVNNQH-VHSXEESVSA-N 1 0 232.352 3.521 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000157276114 385108285 /nfs/dbraw/zinc/10/82/85/385108285.db2.gz NRLDGVBYPVNNQH-NXEZZACHSA-N 1 0 232.352 3.521 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000157295350 387782112 /nfs/dbraw/zinc/78/21/12/387782112.db2.gz CUBDUVVRNDYURB-QWRGUYRKSA-N 1 0 215.296 3.658 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000157295467 387781162 /nfs/dbraw/zinc/78/11/62/387781162.db2.gz CUBDUVVRNDYURB-MNOVXSKESA-N 1 0 215.296 3.658 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000157295612 387781125 /nfs/dbraw/zinc/78/11/25/387781125.db2.gz CUBDUVVRNDYURB-WDEREUQCSA-N 1 0 215.296 3.658 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000157295763 387780599 /nfs/dbraw/zinc/78/05/99/387780599.db2.gz CUBDUVVRNDYURB-GHMZBOCLSA-N 1 0 215.296 3.658 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000157297739 387783411 /nfs/dbraw/zinc/78/34/11/387783411.db2.gz SLMXXWZSKJMELZ-UONOGXRCSA-N 1 0 217.356 3.837 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000157297907 387782759 /nfs/dbraw/zinc/78/27/59/387782759.db2.gz SLMXXWZSKJMELZ-KBPBESRZSA-N 1 0 217.356 3.837 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000157298059 386006721 /nfs/dbraw/zinc/00/67/21/386006721.db2.gz SLMXXWZSKJMELZ-ZIAGYGMSSA-N 1 0 217.356 3.837 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000157298208 191091287 /nfs/dbraw/zinc/09/12/87/191091287.db2.gz SLMXXWZSKJMELZ-KGLIPLIRSA-N 1 0 217.356 3.837 20 30 BHEDRO CCC[N@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000157362783 326270690 /nfs/dbraw/zinc/27/06/90/326270690.db2.gz GXBIEJPODTUKQW-UHFFFAOYSA-N 1 0 244.382 3.838 20 30 BHEDRO C[C@@H](c1ccccc1)[N@H+](C)CCC(C)(C)C#N ZINC000157420343 176019905 /nfs/dbraw/zinc/01/99/05/176019905.db2.gz RJVOOVWVAKWJSQ-ZDUSSCGKSA-N 1 0 230.355 3.619 20 30 BHEDRO C[C@H](c1ccccc1)[N@H+](C)CCC(C)(C)C#N ZINC000157420495 177037845 /nfs/dbraw/zinc/03/78/45/177037845.db2.gz RJVOOVWVAKWJSQ-CYBMUJFWSA-N 1 0 230.355 3.619 20 30 BHEDRO C=CC[N@@H+](CCC(C)(C)C#N)Cc1cccs1 ZINC000157432630 326274660 /nfs/dbraw/zinc/27/46/60/326274660.db2.gz SUCGMJAQAXHCGC-UHFFFAOYSA-N 1 0 248.395 3.676 20 30 BHEDRO CC[N@H+](CCC(C)(C)C#N)Cc1cccc(F)c1 ZINC000157434926 326274983 /nfs/dbraw/zinc/27/49/83/326274983.db2.gz DGEDRFAPXIBKTH-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1cncs1 ZINC000157445878 640684847 /nfs/dbraw/zinc/68/48/47/640684847.db2.gz QDWCRCKJTBEMPB-UHFFFAOYSA-N 1 0 240.416 3.983 20 30 BHEDRO CC(C)[C@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000157463796 385161324 /nfs/dbraw/zinc/16/13/24/385161324.db2.gz GWNMKOIJUBVKMJ-HNNXBMFYSA-N 1 0 244.382 3.913 20 30 BHEDRO CC(C)[C@@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000157463914 385164527 /nfs/dbraw/zinc/16/45/27/385164527.db2.gz GWNMKOIJUBVKMJ-OAHLLOKOSA-N 1 0 244.382 3.913 20 30 BHEDRO CCCCCCC[N@H+](C)CCc1nccs1 ZINC000157466736 641619206 /nfs/dbraw/zinc/61/92/06/641619206.db2.gz XWVMRFJKRGBSPP-UHFFFAOYSA-N 1 0 240.416 3.588 20 30 BHEDRO C[N@H+](CC(C)(C)CCC#N)C1CCCCC1 ZINC000157514630 326279584 /nfs/dbraw/zinc/27/95/84/326279584.db2.gz HHLPWOMLUIGEKU-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000157534856 385201190 /nfs/dbraw/zinc/20/11/90/385201190.db2.gz UUXWKPRBBKAENV-OAHLLOKOSA-N 1 0 242.366 3.763 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000157535025 385193743 /nfs/dbraw/zinc/19/37/43/385193743.db2.gz UUXWKPRBBKAENV-HNNXBMFYSA-N 1 0 242.366 3.763 20 30 BHEDRO CCCCCCCCN(C)Cc1cc(C)on1 ZINC000157557454 711828719 /nfs/dbraw/zinc/82/87/19/711828719.db2.gz YSQHBWGXJNPHDN-UHFFFAOYSA-N 1 0 238.375 3.775 20 30 BHEDRO CC(C)(C#N)CC[N@H+](Cc1ccccc1)C1CC1 ZINC000157558746 387838750 /nfs/dbraw/zinc/83/87/50/387838750.db2.gz HOJCZPHLTBXGHY-UHFFFAOYSA-N 1 0 242.366 3.591 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1c(C)noc1C ZINC000157560907 641620725 /nfs/dbraw/zinc/62/07/25/641620725.db2.gz CLVQCCYUKVCRMM-UHFFFAOYSA-N 1 0 238.375 3.694 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157599394 166243848 /nfs/dbraw/zinc/24/38/48/166243848.db2.gz RKQAMZMZGVABSU-GFCCVEGCSA-N 1 0 249.402 3.563 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157599554 166241196 /nfs/dbraw/zinc/24/11/96/166241196.db2.gz RKQAMZMZGVABSU-LBPRGKRZSA-N 1 0 249.402 3.563 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000157609596 640697328 /nfs/dbraw/zinc/69/73/28/640697328.db2.gz UMFFZXBKNMQCRX-AWEZNQCLSA-N 1 0 249.402 3.560 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000157609751 640696251 /nfs/dbraw/zinc/69/62/51/640696251.db2.gz UMFFZXBKNMQCRX-CQSZACIVSA-N 1 0 249.402 3.560 20 30 BHEDRO CC[N@H+](CCC(C)(C)C#N)Cc1ccccc1C ZINC000157652747 326288754 /nfs/dbraw/zinc/28/87/54/326288754.db2.gz FUHCUCUUBXBFCQ-UHFFFAOYSA-N 1 0 244.382 3.757 20 30 BHEDRO Cc1ccc([C@@H](C)[N@H+](C)CCC(C)(C)C#N)cc1 ZINC000157693696 326291000 /nfs/dbraw/zinc/29/10/00/326291000.db2.gz QJPNVVSYWZRWKF-CQSZACIVSA-N 1 0 244.382 3.928 20 30 BHEDRO Cc1ccc([C@H](C)[N@H+](C)CCC(C)(C)C#N)cc1 ZINC000157693845 326290854 /nfs/dbraw/zinc/29/08/54/326290854.db2.gz QJPNVVSYWZRWKF-AWEZNQCLSA-N 1 0 244.382 3.928 20 30 BHEDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CCC#N)cc1 ZINC000157694767 326290721 /nfs/dbraw/zinc/29/07/21/326290721.db2.gz TWSINNPWIAAHTA-ZBFHGGJFSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CCC#N)cc1 ZINC000157694919 323010425 /nfs/dbraw/zinc/01/04/25/323010425.db2.gz TWSINNPWIAAHTA-GDBMZVCRSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCC#N)cc1 ZINC000157695067 326290980 /nfs/dbraw/zinc/29/09/80/326290980.db2.gz TWSINNPWIAAHTA-HOCLYGCPSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CCC#N)cc1 ZINC000157695222 326290656 /nfs/dbraw/zinc/29/06/56/326290656.db2.gz TWSINNPWIAAHTA-GOEBONIOSA-N 1 0 242.366 3.682 20 30 BHEDRO CCCCCCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000158041425 641627416 /nfs/dbraw/zinc/62/74/16/641627416.db2.gz WYHXCLKYEQGZCF-HNNXBMFYSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCCC[N@H+](C)C[C@H]1CCCOC1 ZINC000158041579 641627335 /nfs/dbraw/zinc/62/73/35/641627335.db2.gz WYHXCLKYEQGZCF-OAHLLOKOSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCC[NH+](CCCC)Cc1ccc(C#N)o1 ZINC000158062659 326306864 /nfs/dbraw/zinc/30/68/64/326306864.db2.gz FJMNTAJCJUHOFW-UHFFFAOYSA-N 1 0 234.343 3.553 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000158117532 387911310 /nfs/dbraw/zinc/91/13/10/387911310.db2.gz FXWKLPUVBSAHJU-QMMMGPOBSA-N 1 0 247.235 3.509 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000158117650 385220538 /nfs/dbraw/zinc/22/05/38/385220538.db2.gz FXWKLPUVBSAHJU-MRVPVSSYSA-N 1 0 247.235 3.509 20 30 BHEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000158133895 385351261 /nfs/dbraw/zinc/35/12/61/385351261.db2.gz PQFYBUFKIAOMIF-HNNXBMFYSA-N 1 0 236.403 3.971 20 30 BHEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000158134029 385345932 /nfs/dbraw/zinc/34/59/32/385345932.db2.gz PQFYBUFKIAOMIF-OAHLLOKOSA-N 1 0 236.403 3.971 20 30 BHEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000158139749 385356120 /nfs/dbraw/zinc/35/61/20/385356120.db2.gz IGENDQLKIKJYSV-AWEZNQCLSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCCC#N ZINC000158139895 385356577 /nfs/dbraw/zinc/35/65/77/385356577.db2.gz IGENDQLKIKJYSV-CQSZACIVSA-N 1 0 222.376 3.581 20 30 BHEDRO CC#CCC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000158297905 386043627 /nfs/dbraw/zinc/04/36/27/386043627.db2.gz VYXFZMBCTJJODH-HNNXBMFYSA-N 1 0 243.394 3.746 20 30 BHEDRO CC#CCC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000158298051 386043654 /nfs/dbraw/zinc/04/36/54/386043654.db2.gz VYXFZMBCTJJODH-OAHLLOKOSA-N 1 0 243.394 3.746 20 30 BHEDRO CC#CCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000158333160 388022883 /nfs/dbraw/zinc/02/28/83/388022883.db2.gz NESJIUPITRAXJN-UHFFFAOYSA-N 1 0 247.769 3.589 20 30 BHEDRO CC#CCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000158341961 388029101 /nfs/dbraw/zinc/02/91/01/388029101.db2.gz HSXUKVRTPROWGP-UHFFFAOYSA-N 1 0 247.769 3.589 20 30 BHEDRO CC#CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000158350219 387080037 /nfs/dbraw/zinc/08/00/37/387080037.db2.gz HJTLVFUEBHZWCV-IAGOWNOFSA-N 1 0 241.378 3.716 20 30 BHEDRO CC#CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000158350369 387080042 /nfs/dbraw/zinc/08/00/42/387080042.db2.gz HJTLVFUEBHZWCV-SJORKVTESA-N 1 0 241.378 3.716 20 30 BHEDRO CC#CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000158350503 387080000 /nfs/dbraw/zinc/08/00/00/387080000.db2.gz HJTLVFUEBHZWCV-DLBZAZTESA-N 1 0 241.378 3.716 20 30 BHEDRO CC#CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000158350636 387080132 /nfs/dbraw/zinc/08/01/32/387080132.db2.gz HJTLVFUEBHZWCV-IRXDYDNUSA-N 1 0 241.378 3.716 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1cccnc1 ZINC000158572415 326328745 /nfs/dbraw/zinc/32/87/45/326328745.db2.gz FHDCJQAPJBQZKW-ZFWWWQNUSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1cccnc1 ZINC000158572565 326328722 /nfs/dbraw/zinc/32/87/22/326328722.db2.gz FHDCJQAPJBQZKW-DZGCQCFKSA-N 1 0 232.371 3.867 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000158605917 641642299 /nfs/dbraw/zinc/64/22/99/641642299.db2.gz RJDVDVZXTVFSFC-UHFFFAOYSA-N 1 0 243.803 3.888 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000158607751 387959821 /nfs/dbraw/zinc/95/98/21/387959821.db2.gz KCCBAEPXCFBKAS-JTQLQIEISA-N 1 0 223.385 3.710 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000158607888 387959333 /nfs/dbraw/zinc/95/93/33/387959333.db2.gz KCCBAEPXCFBKAS-SNVBAGLBSA-N 1 0 223.385 3.710 20 30 BHEDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCCC#N)o1 ZINC000158630549 384266300 /nfs/dbraw/zinc/26/63/00/384266300.db2.gz XTKKMDSZNBYUNO-AWEZNQCLSA-N 1 0 246.354 3.809 20 30 BHEDRO Cc1ccc([C@H]2CCCCC[N@@H+]2CCCC#N)o1 ZINC000158630687 384263833 /nfs/dbraw/zinc/26/38/33/384263833.db2.gz XTKKMDSZNBYUNO-CQSZACIVSA-N 1 0 246.354 3.809 20 30 BHEDRO CC[N@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000158698525 326337839 /nfs/dbraw/zinc/33/78/39/326337839.db2.gz NCSRLEGKHMXQLB-UHFFFAOYSA-N 1 0 244.382 3.838 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000158763549 632485760 /nfs/dbraw/zinc/48/57/60/632485760.db2.gz ISORJEMXNGAITQ-HUUCEWRRSA-N 1 0 241.419 3.582 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000158763702 641649863 /nfs/dbraw/zinc/64/98/63/641649863.db2.gz ISORJEMXNGAITQ-CABCVRRESA-N 1 0 241.419 3.582 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000158907697 632495561 /nfs/dbraw/zinc/49/55/61/632495561.db2.gz MYHGBEMRGXZRAA-INIZCTEOSA-N 1 0 241.378 3.597 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000158907850 632495581 /nfs/dbraw/zinc/49/55/81/632495581.db2.gz MYHGBEMRGXZRAA-MRXNPFEDSA-N 1 0 241.378 3.597 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CC(C)(C)OC ZINC000158960425 641660302 /nfs/dbraw/zinc/66/03/02/641660302.db2.gz JQKXTDDQVQXXHC-CYBMUJFWSA-N 1 0 229.408 3.750 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CC(C)(C)OC ZINC000158960538 641659867 /nfs/dbraw/zinc/65/98/67/641659867.db2.gz JQKXTDDQVQXXHC-ZDUSSCGKSA-N 1 0 229.408 3.750 20 30 BHEDRO CC(C)(CCC#N)C[NH+]1CCCCCCC1 ZINC000158969491 641660183 /nfs/dbraw/zinc/66/01/83/641660183.db2.gz CTAIPMMMKBLJHT-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cnc(C(C)C)s1 ZINC000158990635 326347635 /nfs/dbraw/zinc/34/76/35/326347635.db2.gz QYZCWGPLBNHJJM-UHFFFAOYSA-N 1 0 238.400 3.665 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc2ncccc2c1 ZINC000158998264 326347564 /nfs/dbraw/zinc/34/75/64/326347564.db2.gz OVDBCVPZBBONLD-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc(F)c(F)c(F)c1 ZINC000159002139 326345275 /nfs/dbraw/zinc/34/52/75/326345275.db2.gz XSVJDIHNJWGVFI-UHFFFAOYSA-N 1 0 243.272 3.502 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cccc2[nH]ccc21 ZINC000159013292 326348143 /nfs/dbraw/zinc/34/81/43/326348143.db2.gz SQDWLCBARYJNEM-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000159126365 632508441 /nfs/dbraw/zinc/50/84/41/632508441.db2.gz YZWDIADVKTYSLZ-CYBMUJFWSA-N 1 0 239.721 3.619 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000159126494 641665105 /nfs/dbraw/zinc/66/51/05/641665105.db2.gz YZWDIADVKTYSLZ-ZDUSSCGKSA-N 1 0 239.721 3.619 20 30 BHEDRO CC(C)[N@H+](Cc1ccc(C#N)s1)C1CCCC1 ZINC000159139672 348432614 /nfs/dbraw/zinc/43/26/14/348432614.db2.gz NDLIVHQGCUSLPP-UHFFFAOYSA-N 1 0 248.395 3.773 20 30 BHEDRO CC(C)Cc1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000159201412 345416559 /nfs/dbraw/zinc/41/65/59/345416559.db2.gz FWJZSNDXCFMREW-CQSZACIVSA-N 1 0 244.382 3.839 20 30 BHEDRO CC(C)Cc1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000159201547 345416478 /nfs/dbraw/zinc/41/64/78/345416478.db2.gz FWJZSNDXCFMREW-AWEZNQCLSA-N 1 0 244.382 3.839 20 30 BHEDRO C=C(C[NH2+]CC(CC)CC)c1ccccc1 ZINC000159260066 388004520 /nfs/dbraw/zinc/00/45/20/388004520.db2.gz NQXIZHUVLQBTEE-UHFFFAOYSA-N 1 0 217.356 3.726 20 30 BHEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000159628726 388024300 /nfs/dbraw/zinc/02/43/00/388024300.db2.gz VDRMHIUHJKLXQH-HZPDHXFCSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000159628940 388024233 /nfs/dbraw/zinc/02/42/33/388024233.db2.gz VDRMHIUHJKLXQH-CVEARBPZSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000159629064 201686176 /nfs/dbraw/zinc/68/61/76/201686176.db2.gz VDRMHIUHJKLXQH-JKSUJKDBSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000159629192 388024295 /nfs/dbraw/zinc/02/42/95/388024295.db2.gz VDRMHIUHJKLXQH-HOTGVXAUSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000159643172 388025045 /nfs/dbraw/zinc/02/50/45/388025045.db2.gz UYXISLFGNPNBHY-QMMMGPOBSA-N 1 0 230.138 3.658 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000159643314 388025184 /nfs/dbraw/zinc/02/51/84/388025184.db2.gz UYXISLFGNPNBHY-MRVPVSSYSA-N 1 0 230.138 3.658 20 30 BHEDRO C=CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000159650752 388025153 /nfs/dbraw/zinc/02/51/53/388025153.db2.gz YTBXFLXMEGYMJN-NSHDSACASA-N 1 0 209.358 3.611 20 30 BHEDRO C=CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000159650893 388025069 /nfs/dbraw/zinc/02/50/69/388025069.db2.gz YTBXFLXMEGYMJN-LLVKDONJSA-N 1 0 209.358 3.611 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCSC1 ZINC000159654220 388026078 /nfs/dbraw/zinc/02/60/78/388026078.db2.gz VHAWKSWCOREYCS-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCSC1 ZINC000159654366 388025873 /nfs/dbraw/zinc/02/58/73/388025873.db2.gz VHAWKSWCOREYCS-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCSC1 ZINC000159654486 388026156 /nfs/dbraw/zinc/02/61/56/388026156.db2.gz VHAWKSWCOREYCS-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCSC1 ZINC000159654597 388025732 /nfs/dbraw/zinc/02/57/32/388025732.db2.gz VHAWKSWCOREYCS-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CC[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000159665898 384467048 /nfs/dbraw/zinc/46/70/48/384467048.db2.gz KKVVCHPMFPOJKD-QMMMGPOBSA-N 1 0 215.749 3.628 20 30 BHEDRO C=CC[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000159666028 388026084 /nfs/dbraw/zinc/02/60/84/388026084.db2.gz KKVVCHPMFPOJKD-MRVPVSSYSA-N 1 0 215.749 3.628 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000159749007 388029613 /nfs/dbraw/zinc/02/96/13/388029613.db2.gz XBVYOGRVGDMBCO-XHDPSFHLSA-N 1 0 240.350 3.709 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000159749136 388029781 /nfs/dbraw/zinc/02/97/81/388029781.db2.gz XBVYOGRVGDMBCO-IAQYHMDHSA-N 1 0 240.350 3.709 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000159749250 386157613 /nfs/dbraw/zinc/15/76/13/386157613.db2.gz XBVYOGRVGDMBCO-NHYWBVRUSA-N 1 0 240.350 3.709 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000159749369 388029840 /nfs/dbraw/zinc/02/98/40/388029840.db2.gz XBVYOGRVGDMBCO-ABAIWWIYSA-N 1 0 240.350 3.709 20 30 BHEDRO CC(C)[N@H+](Cc1ccc(C#N)o1)C1CCCCC1 ZINC000159768804 188158495 /nfs/dbraw/zinc/15/84/95/188158495.db2.gz LIXYCHGEMYNDKA-UHFFFAOYSA-N 1 0 246.354 3.694 20 30 BHEDRO Cc1cc(C#N)ccc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000159793642 350997513 /nfs/dbraw/zinc/99/75/13/350997513.db2.gz FCDVVTIOVXHACH-OKILXGFUSA-N 1 0 242.366 3.630 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000159839756 323050333 /nfs/dbraw/zinc/05/03/33/323050333.db2.gz SKKUIWGCGJSMEG-NSHDSACASA-N 1 0 244.363 3.647 20 30 BHEDRO C=CC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000159839889 323050436 /nfs/dbraw/zinc/05/04/36/323050436.db2.gz SKKUIWGCGJSMEG-LLVKDONJSA-N 1 0 244.363 3.647 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCCOC)c1ccccc1 ZINC000159911574 166301315 /nfs/dbraw/zinc/30/13/15/166301315.db2.gz ASPRXDVGADLNOO-INIZCTEOSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCCOC)c1ccccc1 ZINC000159911700 166294337 /nfs/dbraw/zinc/29/43/37/166294337.db2.gz ASPRXDVGADLNOO-MRXNPFEDSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](C)COC)c1ccccc1 ZINC000159936467 323054429 /nfs/dbraw/zinc/05/44/29/323054429.db2.gz KVWAWQQFULHNRK-HOCLYGCPSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](C)COC)c1ccccc1 ZINC000159936585 323054409 /nfs/dbraw/zinc/05/44/09/323054409.db2.gz KVWAWQQFULHNRK-ZBFHGGJFSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](C)COC)c1ccccc1 ZINC000159936703 323054392 /nfs/dbraw/zinc/05/43/92/323054392.db2.gz KVWAWQQFULHNRK-GOEBONIOSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)COC)c1ccccc1 ZINC000159936836 323054410 /nfs/dbraw/zinc/05/44/10/323054410.db2.gz KVWAWQQFULHNRK-GDBMZVCRSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000159974542 323056325 /nfs/dbraw/zinc/05/63/25/323056325.db2.gz LYKVOJOLCSTKSH-INIZCTEOSA-N 1 0 242.366 3.977 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000159974678 323033007 /nfs/dbraw/zinc/03/30/07/323033007.db2.gz LYKVOJOLCSTKSH-MRXNPFEDSA-N 1 0 242.366 3.977 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160149770 388047538 /nfs/dbraw/zinc/04/75/38/388047538.db2.gz ZCAAAGLTHLXAGT-VIFPVBQESA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160149875 201703631 /nfs/dbraw/zinc/70/36/31/201703631.db2.gz ZCAAAGLTHLXAGT-SECBINFHSA-N 1 0 227.710 3.533 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160158254 388049570 /nfs/dbraw/zinc/04/95/70/388049570.db2.gz SZTUUSDIWNFKRG-QMMMGPOBSA-N 1 0 247.235 3.509 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160158384 388049461 /nfs/dbraw/zinc/04/94/61/388049461.db2.gz SZTUUSDIWNFKRG-MRVPVSSYSA-N 1 0 247.235 3.509 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000160170105 388049992 /nfs/dbraw/zinc/04/99/92/388049992.db2.gz AKROXFATDZAXJE-ZDUSSCGKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C2CCC2)cc1 ZINC000160170228 388050212 /nfs/dbraw/zinc/05/02/12/388050212.db2.gz AKROXFATDZAXJE-CYBMUJFWSA-N 1 0 245.366 3.530 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000160185044 388051290 /nfs/dbraw/zinc/05/12/90/388051290.db2.gz PEBVDUVPQHLBEZ-UHFFFAOYSA-N 1 0 230.138 3.659 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CCC)c1ccccc1 ZINC000160187095 388052296 /nfs/dbraw/zinc/05/22/96/388052296.db2.gz FRONZGNAAMJCDC-AWEZNQCLSA-N 1 0 203.329 3.694 20 30 BHEDRO C=C(C)C[NH2+][C@H](CCC)c1ccccc1 ZINC000160187228 384651812 /nfs/dbraw/zinc/65/18/12/384651812.db2.gz FRONZGNAAMJCDC-CQSZACIVSA-N 1 0 203.329 3.694 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000160200224 388053692 /nfs/dbraw/zinc/05/36/92/388053692.db2.gz UATCIJTYACKFKZ-UHFFFAOYSA-N 1 0 231.383 3.954 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000160207583 388053456 /nfs/dbraw/zinc/05/34/56/388053456.db2.gz OSQVBMPNYIVWEU-CYBMUJFWSA-N 1 0 203.329 3.530 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000160207685 201708793 /nfs/dbraw/zinc/70/87/93/201708793.db2.gz OSQVBMPNYIVWEU-ZDUSSCGKSA-N 1 0 203.329 3.530 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+]CCC(C)(C)C#N)c1 ZINC000160257981 323064507 /nfs/dbraw/zinc/06/45/07/323064507.db2.gz ZSXPAHSJMIYJKN-ZDUSSCGKSA-N 1 0 230.355 3.586 20 30 BHEDRO C=C(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000160299914 386290884 /nfs/dbraw/zinc/29/08/84/386290884.db2.gz LNLXDGDVPYDBIS-UHFFFAOYSA-N 1 0 230.138 3.659 20 30 BHEDRO C=C(C)C[NH2+]Cc1c(Cl)cccc1Cl ZINC000160310691 388058640 /nfs/dbraw/zinc/05/86/40/388058640.db2.gz VXMTVXAJTOPMSQ-UHFFFAOYSA-N 1 0 230.138 3.659 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000160350405 201710506 /nfs/dbraw/zinc/71/05/06/201710506.db2.gz JNRCGEWUJJDVSI-KBPBESRZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000160350527 201710301 /nfs/dbraw/zinc/71/03/01/201710301.db2.gz JNRCGEWUJJDVSI-KGLIPLIRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000160350652 384401952 /nfs/dbraw/zinc/40/19/52/384401952.db2.gz JNRCGEWUJJDVSI-UONOGXRCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000160350795 219877765 /nfs/dbraw/zinc/87/77/65/219877765.db2.gz JNRCGEWUJJDVSI-ZIAGYGMSSA-N 1 0 236.403 3.731 20 30 BHEDRO C=C(C)C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000160364608 388059771 /nfs/dbraw/zinc/05/97/71/388059771.db2.gz YHUQNVFGGHIICT-UHFFFAOYSA-N 1 0 230.138 3.659 20 30 BHEDRO CC[N@H+](Cc1cc(F)ccc1C#N)[C@@H](C)C(C)C ZINC000160435470 323066414 /nfs/dbraw/zinc/06/64/14/323066414.db2.gz GKPBYPDMKNYVMY-LBPRGKRZSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)C(C)C ZINC000160435634 323066450 /nfs/dbraw/zinc/06/64/50/323066450.db2.gz GKPBYPDMKNYVMY-GFCCVEGCSA-N 1 0 248.345 3.564 20 30 BHEDRO C[N@H+](Cc1cccc(F)c1)CC(C)(C)CCC#N ZINC000160473993 384414622 /nfs/dbraw/zinc/41/46/22/384414622.db2.gz YMYCTMVMCSPWMM-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO Cc1ccccc1C[N@@H+](C)CC(C)(C)CCC#N ZINC000160530250 384418093 /nfs/dbraw/zinc/41/80/93/384418093.db2.gz CVQYSXRGIIHXIC-UHFFFAOYSA-N 1 0 244.382 3.757 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000160536619 387103273 /nfs/dbraw/zinc/10/32/73/387103273.db2.gz ACNMEIKNIKSDBD-VIFPVBQESA-N 1 0 235.714 3.750 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000160536736 387101963 /nfs/dbraw/zinc/10/19/63/387101963.db2.gz ACNMEIKNIKSDBD-SECBINFHSA-N 1 0 235.714 3.750 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000160633060 136222140 /nfs/dbraw/zinc/22/21/40/136222140.db2.gz ROUXDAMQBRHVJZ-AWEZNQCLSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000160633156 136222132 /nfs/dbraw/zinc/22/21/32/136222132.db2.gz ROUXDAMQBRHVJZ-CQSZACIVSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000160633778 388080232 /nfs/dbraw/zinc/08/02/32/388080232.db2.gz BZXSEIXRMRLHJY-QWHCGFSZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=C(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000160633881 388079216 /nfs/dbraw/zinc/07/92/16/388079216.db2.gz BZXSEIXRMRLHJY-STQMWFEESA-N 1 0 209.377 3.757 20 30 BHEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000160633945 201725263 /nfs/dbraw/zinc/72/52/63/201725263.db2.gz BZXSEIXRMRLHJY-CHWSQXEVSA-N 1 0 209.377 3.757 20 30 BHEDRO C=C(C)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000160634077 388079960 /nfs/dbraw/zinc/07/99/60/388079960.db2.gz BZXSEIXRMRLHJY-OLZOCXBDSA-N 1 0 209.377 3.757 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000160643617 388080995 /nfs/dbraw/zinc/08/09/95/388080995.db2.gz ZRRCJZFFXLPKDL-VIFPVBQESA-N 1 0 227.710 3.706 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000160643744 219811529 /nfs/dbraw/zinc/81/15/29/219811529.db2.gz ZRRCJZFFXLPKDL-SECBINFHSA-N 1 0 227.710 3.706 20 30 BHEDRO C[N@H+](Cc1ccccc1F)CC(C)(C)CCC#N ZINC000160732916 384429445 /nfs/dbraw/zinc/42/94/45/384429445.db2.gz RTJZDXDQYAIXMD-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000160761553 388087840 /nfs/dbraw/zinc/08/78/40/388087840.db2.gz WPYLVLYDVQJAMQ-NSHDSACASA-N 1 0 215.296 3.660 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000160761662 388087904 /nfs/dbraw/zinc/08/79/04/388087904.db2.gz WPYLVLYDVQJAMQ-LLVKDONJSA-N 1 0 215.296 3.660 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000160763000 387106509 /nfs/dbraw/zinc/10/65/09/387106509.db2.gz HPUTXZQWPBALDU-HNNXBMFYSA-N 1 0 217.356 3.940 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000160763164 200652618 /nfs/dbraw/zinc/65/26/18/200652618.db2.gz HPUTXZQWPBALDU-OAHLLOKOSA-N 1 0 217.356 3.940 20 30 BHEDRO CCCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000160773693 398090243 /nfs/dbraw/zinc/09/02/43/398090243.db2.gz AMQXLEYMMJCGQC-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO CCCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000160773840 398090287 /nfs/dbraw/zinc/09/02/87/398090287.db2.gz AMQXLEYMMJCGQC-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000160841284 711505312 /nfs/dbraw/zinc/50/53/12/711505312.db2.gz PJKULJNHLFTDMS-LSDHHAIUSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000160841544 711505309 /nfs/dbraw/zinc/50/53/09/711505309.db2.gz PJKULJNHLFTDMS-GJZGRUSLSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCCC[NH2+]Cc1cnccc1C ZINC000160859251 711809899 /nfs/dbraw/zinc/80/98/99/711809899.db2.gz QZJNCWULEIBTSM-UHFFFAOYSA-N 1 0 234.387 3.840 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000161032029 384793617 /nfs/dbraw/zinc/79/36/17/384793617.db2.gz XPALSLKUSZQGIB-ZDUSSCGKSA-N 1 0 229.367 3.792 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000161032158 205496676 /nfs/dbraw/zinc/49/66/76/205496676.db2.gz XPALSLKUSZQGIB-CYBMUJFWSA-N 1 0 229.367 3.792 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000161100899 711810599 /nfs/dbraw/zinc/81/05/99/711810599.db2.gz KUIXPYQDVTXEGD-LBPRGKRZSA-N 1 0 235.758 3.746 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000161101000 711810585 /nfs/dbraw/zinc/81/05/85/711810585.db2.gz KUIXPYQDVTXEGD-GFCCVEGCSA-N 1 0 235.758 3.746 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000161101185 711810707 /nfs/dbraw/zinc/81/07/07/711810707.db2.gz RSURJADVUKLIEK-LBPRGKRZSA-N 1 0 235.758 3.746 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000161101299 711810630 /nfs/dbraw/zinc/81/06/30/711810630.db2.gz RSURJADVUKLIEK-GFCCVEGCSA-N 1 0 235.758 3.746 20 30 BHEDRO C#CCCC[N@@H+](CCC(C)C)C1CCCC1 ZINC000161110071 711569236 /nfs/dbraw/zinc/56/92/36/711569236.db2.gz GCXSPZHEAKKJCR-UHFFFAOYSA-N 1 0 221.388 3.691 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000161133275 384798441 /nfs/dbraw/zinc/79/84/41/384798441.db2.gz YYOBKYPCSPHCNX-NSHDSACASA-N 1 0 248.395 3.678 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000161133388 388558139 /nfs/dbraw/zinc/55/81/39/388558139.db2.gz YYOBKYPCSPHCNX-LLVKDONJSA-N 1 0 248.395 3.678 20 30 BHEDRO C#CCCC[N@H+](CC(C)C)C(CC)CC ZINC000161137277 711810626 /nfs/dbraw/zinc/81/06/26/711810626.db2.gz BHNSMXIVVALWIC-UHFFFAOYSA-N 1 0 209.377 3.546 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000161223424 538915003 /nfs/dbraw/zinc/91/50/03/538915003.db2.gz RJYJWYTWZWSGNT-IUCAKERBSA-N 1 0 227.710 3.704 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000161223539 538914932 /nfs/dbraw/zinc/91/49/32/538914932.db2.gz RJYJWYTWZWSGNT-BDAKNGLRSA-N 1 0 227.710 3.704 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000161223653 538915063 /nfs/dbraw/zinc/91/50/63/538915063.db2.gz RJYJWYTWZWSGNT-DTWKUNHWSA-N 1 0 227.710 3.704 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000161223776 538915041 /nfs/dbraw/zinc/91/50/41/538915041.db2.gz RJYJWYTWZWSGNT-RKDXNWHRSA-N 1 0 227.710 3.704 20 30 BHEDRO C#CCCC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000161236891 711810849 /nfs/dbraw/zinc/81/08/49/711810849.db2.gz VGUKVPBCXJXSRE-UHFFFAOYSA-N 1 0 221.388 3.594 20 30 BHEDRO C=C(Cl)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161371013 711811461 /nfs/dbraw/zinc/81/14/61/711811461.db2.gz YPFUFYKECGLCEY-UHFFFAOYSA-N 1 0 227.779 3.832 20 30 BHEDRO C=C[C@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000161373114 346172492 /nfs/dbraw/zinc/17/24/92/346172492.db2.gz BAMAFMRFYOKYID-LBPRGKRZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=C[C@@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000161373219 346171105 /nfs/dbraw/zinc/17/11/05/346171105.db2.gz BAMAFMRFYOKYID-GFCCVEGCSA-N 1 0 207.361 3.654 20 30 BHEDRO C=C(C)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161374002 384996187 /nfs/dbraw/zinc/99/61/87/384996187.db2.gz FTTVBWHGDXJBGG-UHFFFAOYSA-N 1 0 207.361 3.655 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000161574753 385366840 /nfs/dbraw/zinc/36/68/40/385366840.db2.gz FGAOMYIMWYUEQP-JTQLQIEISA-N 1 0 241.281 3.515 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000161574879 385367522 /nfs/dbraw/zinc/36/75/22/385367522.db2.gz FGAOMYIMWYUEQP-SNVBAGLBSA-N 1 0 241.281 3.515 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000161636199 397752640 /nfs/dbraw/zinc/75/26/40/397752640.db2.gz AVGTXFSFJMKVJT-UONOGXRCSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000161636354 385392895 /nfs/dbraw/zinc/39/28/95/385392895.db2.gz AVGTXFSFJMKVJT-KBPBESRZSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000161636482 385395067 /nfs/dbraw/zinc/39/50/67/385395067.db2.gz AVGTXFSFJMKVJT-ZIAGYGMSSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000161636622 219862185 /nfs/dbraw/zinc/86/21/85/219862185.db2.gz AVGTXFSFJMKVJT-KGLIPLIRSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000161637781 219862083 /nfs/dbraw/zinc/86/20/83/219862083.db2.gz YDMFTTRVWXJKKM-ZFWWWQNUSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC000161637923 219862291 /nfs/dbraw/zinc/86/22/91/219862291.db2.gz YDMFTTRVWXJKKM-DZGCQCFKSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000161638025 385399606 /nfs/dbraw/zinc/39/96/06/385399606.db2.gz YDMFTTRVWXJKKM-HIFRSBDPSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC000161638165 385394906 /nfs/dbraw/zinc/39/49/06/385394906.db2.gz YDMFTTRVWXJKKM-UKRRQHHQSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000161639356 353289977 /nfs/dbraw/zinc/28/99/77/353289977.db2.gz GUVFHDFTFLDOFH-WCQYABFASA-N 1 0 233.380 3.778 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000161639479 133647011 /nfs/dbraw/zinc/64/70/11/133647011.db2.gz GUVFHDFTFLDOFH-DGCLKSJQSA-N 1 0 233.380 3.778 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000161639603 353290525 /nfs/dbraw/zinc/29/05/25/353290525.db2.gz GUVFHDFTFLDOFH-AAEUAGOBSA-N 1 0 233.380 3.778 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000161639734 353290516 /nfs/dbraw/zinc/29/05/16/353290516.db2.gz GUVFHDFTFLDOFH-YPMHNXCESA-N 1 0 233.380 3.778 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000161639865 385396789 /nfs/dbraw/zinc/39/67/89/385396789.db2.gz DLEXDGWZPGQDRC-UONOGXRCSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000161640011 385982715 /nfs/dbraw/zinc/98/27/15/385982715.db2.gz DLEXDGWZPGQDRC-KBPBESRZSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000161640150 219862289 /nfs/dbraw/zinc/86/22/89/219862289.db2.gz DLEXDGWZPGQDRC-ZIAGYGMSSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000161640267 385396972 /nfs/dbraw/zinc/39/69/72/385396972.db2.gz DLEXDGWZPGQDRC-KGLIPLIRSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000161640403 385397349 /nfs/dbraw/zinc/39/73/49/385397349.db2.gz WFEZAIHCZFMTBX-QWRGUYRKSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1cccs1 ZINC000161640534 385397464 /nfs/dbraw/zinc/39/74/64/385397464.db2.gz WFEZAIHCZFMTBX-WDEREUQCSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000161640652 385397593 /nfs/dbraw/zinc/39/75/93/385397593.db2.gz WFEZAIHCZFMTBX-MNOVXSKESA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1cccs1 ZINC000161640776 385397265 /nfs/dbraw/zinc/39/72/65/385397265.db2.gz WFEZAIHCZFMTBX-GHMZBOCLSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000161642014 385412056 /nfs/dbraw/zinc/41/20/56/385412056.db2.gz XTNYDFLOTHXCSE-GXSJLCMTSA-N 1 0 223.385 3.980 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000161642142 219862256 /nfs/dbraw/zinc/86/22/56/219862256.db2.gz XTNYDFLOTHXCSE-ONGXEEELSA-N 1 0 223.385 3.980 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000161642277 385411713 /nfs/dbraw/zinc/41/17/13/385411713.db2.gz XTNYDFLOTHXCSE-MWLCHTKSSA-N 1 0 223.385 3.980 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000161642407 385411514 /nfs/dbraw/zinc/41/15/14/385411514.db2.gz XTNYDFLOTHXCSE-KOLCDFICSA-N 1 0 223.385 3.980 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000161643076 385411944 /nfs/dbraw/zinc/41/19/44/385411944.db2.gz UBGOEOICTKZLLC-AGIUHOORSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000161643209 385412013 /nfs/dbraw/zinc/41/20/13/385412013.db2.gz UBGOEOICTKZLLC-AVGNSLFASA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000161643342 385412382 /nfs/dbraw/zinc/41/23/82/385412382.db2.gz UBGOEOICTKZLLC-FRRDWIJNSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000161643469 385411787 /nfs/dbraw/zinc/41/17/87/385411787.db2.gz UBGOEOICTKZLLC-RWMBFGLXSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000161644708 385411922 /nfs/dbraw/zinc/41/19/22/385411922.db2.gz JBDWOKYNWMKABP-IHRRRGAJSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000161644870 205528699 /nfs/dbraw/zinc/52/86/99/205528699.db2.gz JBDWOKYNWMKABP-MJBXVCDLSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000161644994 385411744 /nfs/dbraw/zinc/41/17/44/385411744.db2.gz JBDWOKYNWMKABP-MELADBBJSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000161645126 385411450 /nfs/dbraw/zinc/41/14/50/385411450.db2.gz JBDWOKYNWMKABP-BFHYXJOUSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000161648586 632111589 /nfs/dbraw/zinc/11/15/89/632111589.db2.gz ZSKCSRMFQPISNU-BYNSBNAKSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000161649117 133515854 /nfs/dbraw/zinc/51/58/54/133515854.db2.gz HQLCSBPLHPDACU-CMPLNLGQSA-N 1 0 221.369 3.680 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000161649223 346353981 /nfs/dbraw/zinc/35/39/81/346353981.db2.gz HQLCSBPLHPDACU-ZYHUDNBSSA-N 1 0 221.369 3.680 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000161649350 133515537 /nfs/dbraw/zinc/51/55/37/133515537.db2.gz HQLCSBPLHPDACU-JQWIXIFHSA-N 1 0 221.369 3.680 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000161649492 346354956 /nfs/dbraw/zinc/35/49/56/346354956.db2.gz HQLCSBPLHPDACU-PWSUYJOCSA-N 1 0 221.369 3.680 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000161649629 385982586 /nfs/dbraw/zinc/98/25/86/385982586.db2.gz PWABDGOOLCNGDI-IINYFYTJSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000161649747 205528624 /nfs/dbraw/zinc/52/86/24/205528624.db2.gz PWABDGOOLCNGDI-QMTHXVAHSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000161649879 385413518 /nfs/dbraw/zinc/41/35/18/385413518.db2.gz PWABDGOOLCNGDI-HZMBPMFUSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000161649991 385413653 /nfs/dbraw/zinc/41/36/53/385413653.db2.gz PWABDGOOLCNGDI-YGRLFVJLSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000161653372 385418052 /nfs/dbraw/zinc/41/80/52/385418052.db2.gz XQCURIFTRWJSBW-SWLSCSKDSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000161653491 385420456 /nfs/dbraw/zinc/42/04/56/385420456.db2.gz XQCURIFTRWJSBW-WFASDCNBSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000161653610 385420142 /nfs/dbraw/zinc/42/01/42/385420142.db2.gz XQCURIFTRWJSBW-IUODEOHRSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000161653723 200723148 /nfs/dbraw/zinc/72/31/48/200723148.db2.gz XQCURIFTRWJSBW-DOMZBBRYSA-N 1 0 215.340 3.537 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000161657737 385420511 /nfs/dbraw/zinc/42/05/11/385420511.db2.gz VLAATSBMHPEUIY-QWHCGFSZSA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000161657873 527139141 /nfs/dbraw/zinc/13/91/41/527139141.db2.gz VLAATSBMHPEUIY-STQMWFEESA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000161658018 385423353 /nfs/dbraw/zinc/42/33/53/385423353.db2.gz VLAATSBMHPEUIY-CHWSQXEVSA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000161658153 385422867 /nfs/dbraw/zinc/42/28/67/385422867.db2.gz VLAATSBMHPEUIY-OLZOCXBDSA-N 1 0 203.329 3.610 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000161660867 632116435 /nfs/dbraw/zinc/11/64/35/632116435.db2.gz MUMRRFJUERAULA-NWDGAFQWSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000161660948 632115592 /nfs/dbraw/zinc/11/55/92/632115592.db2.gz MUMRRFJUERAULA-RYUDHWBXSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000161661054 632116686 /nfs/dbraw/zinc/11/66/86/632116686.db2.gz MUMRRFJUERAULA-VXGBXAGGSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000161661158 632115873 /nfs/dbraw/zinc/11/58/73/632115873.db2.gz MUMRRFJUERAULA-NEPJUHHUSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000161661243 527139203 /nfs/dbraw/zinc/13/92/03/527139203.db2.gz HYCBRRJKFKXKDD-FPMFFAJLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000161661430 527139644 /nfs/dbraw/zinc/13/96/44/527139644.db2.gz HYCBRRJKFKXKDD-UBHSHLNASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000161663452 385438549 /nfs/dbraw/zinc/43/85/49/385438549.db2.gz QPORJWQZOOMUED-UONOGXRCSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000161663516 219862744 /nfs/dbraw/zinc/86/27/44/219862744.db2.gz QPORJWQZOOMUED-KBPBESRZSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000161663598 385438358 /nfs/dbraw/zinc/43/83/58/385438358.db2.gz QPORJWQZOOMUED-ZIAGYGMSSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000161663694 385438698 /nfs/dbraw/zinc/43/86/98/385438698.db2.gz QPORJWQZOOMUED-KGLIPLIRSA-N 1 0 217.356 3.919 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000161664135 133647337 /nfs/dbraw/zinc/64/73/37/133647337.db2.gz WGDGEZXKHAWUDN-GXSJLCMTSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000161664296 353291214 /nfs/dbraw/zinc/29/12/14/353291214.db2.gz WGDGEZXKHAWUDN-ONGXEEELSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000161664424 346361652 /nfs/dbraw/zinc/36/16/52/346361652.db2.gz WGDGEZXKHAWUDN-MWLCHTKSSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000161664559 346361952 /nfs/dbraw/zinc/36/19/52/346361952.db2.gz WGDGEZXKHAWUDN-KOLCDFICSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000161670075 385440344 /nfs/dbraw/zinc/44/03/44/385440344.db2.gz DLFGMJGZSDWATA-QWHCGFSZSA-N 1 0 217.356 3.864 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000161670208 385440072 /nfs/dbraw/zinc/44/00/72/385440072.db2.gz DLFGMJGZSDWATA-STQMWFEESA-N 1 0 217.356 3.864 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000161670339 385439080 /nfs/dbraw/zinc/43/90/80/385439080.db2.gz DLFGMJGZSDWATA-CHWSQXEVSA-N 1 0 217.356 3.864 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000161670436 219862753 /nfs/dbraw/zinc/86/27/53/219862753.db2.gz DLFGMJGZSDWATA-OLZOCXBDSA-N 1 0 217.356 3.864 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(CC)s1 ZINC000161672235 385443896 /nfs/dbraw/zinc/44/38/96/385443896.db2.gz OMSWKVNXIUCUMD-WDEREUQCSA-N 1 0 223.385 3.926 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000161672359 385444191 /nfs/dbraw/zinc/44/41/91/385444191.db2.gz OMSWKVNXIUCUMD-QWRGUYRKSA-N 1 0 223.385 3.926 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(CC)s1 ZINC000161672496 385444092 /nfs/dbraw/zinc/44/40/92/385444092.db2.gz OMSWKVNXIUCUMD-GHMZBOCLSA-N 1 0 223.385 3.926 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000161672613 385443920 /nfs/dbraw/zinc/44/39/20/385443920.db2.gz OMSWKVNXIUCUMD-MNOVXSKESA-N 1 0 223.385 3.926 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000161678922 385444156 /nfs/dbraw/zinc/44/41/56/385444156.db2.gz PNIAXSASGGKYCD-UWVGGRQHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000161679058 385443572 /nfs/dbraw/zinc/44/35/72/385443572.db2.gz PNIAXSASGGKYCD-ZJUUUORDSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000161679206 385444424 /nfs/dbraw/zinc/44/44/24/385444424.db2.gz PNIAXSASGGKYCD-VHSXEESVSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000161679346 385444431 /nfs/dbraw/zinc/44/44/31/385444431.db2.gz PNIAXSASGGKYCD-NXEZZACHSA-N 1 0 225.282 3.580 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1sccc1C ZINC000161679503 133647446 /nfs/dbraw/zinc/64/74/46/133647446.db2.gz XXAIPBBKVPFDHA-WDEREUQCSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000161679604 133647455 /nfs/dbraw/zinc/64/74/55/133647455.db2.gz XXAIPBBKVPFDHA-QWRGUYRKSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1sccc1C ZINC000161679749 346365685 /nfs/dbraw/zinc/36/56/85/346365685.db2.gz XXAIPBBKVPFDHA-GHMZBOCLSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000161679880 346365855 /nfs/dbraw/zinc/36/58/55/346365855.db2.gz XXAIPBBKVPFDHA-MNOVXSKESA-N 1 0 209.358 3.672 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000161695334 323559069 /nfs/dbraw/zinc/55/90/69/323559069.db2.gz LEGLHEFNCOSUGT-HNNXBMFYSA-N 1 0 233.355 3.558 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000161695389 387258500 /nfs/dbraw/zinc/25/85/00/387258500.db2.gz LEGLHEFNCOSUGT-OAHLLOKOSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000161714292 632392043 /nfs/dbraw/zinc/39/20/43/632392043.db2.gz WFJZWIVEVNUMEI-LBPRGKRZSA-N 1 0 241.334 3.772 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000161714410 632392233 /nfs/dbraw/zinc/39/22/33/632392233.db2.gz WFJZWIVEVNUMEI-GFCCVEGCSA-N 1 0 241.334 3.772 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000161718349 487513716 /nfs/dbraw/zinc/51/37/16/487513716.db2.gz XTUKTZGVBKOJPJ-OAHLLOKOSA-N 1 0 240.350 3.711 20 30 BHEDRO C=CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000161718444 487513905 /nfs/dbraw/zinc/51/39/05/487513905.db2.gz XTUKTZGVBKOJPJ-HNNXBMFYSA-N 1 0 240.350 3.711 20 30 BHEDRO C=CCC[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000161721148 371556848 /nfs/dbraw/zinc/55/68/48/371556848.db2.gz YNJPNDOIERJONB-AWEZNQCLSA-N 1 0 248.326 3.602 20 30 BHEDRO C=CCC[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000161721273 371557284 /nfs/dbraw/zinc/55/72/84/371557284.db2.gz YNJPNDOIERJONB-CQSZACIVSA-N 1 0 248.326 3.602 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000161727445 632393736 /nfs/dbraw/zinc/39/37/36/632393736.db2.gz GRNOCSDYCRZZJW-GFCCVEGCSA-N 1 0 223.747 3.707 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000161727564 632902208 /nfs/dbraw/zinc/90/22/08/632902208.db2.gz GRNOCSDYCRZZJW-LBPRGKRZSA-N 1 0 223.747 3.707 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000161728494 632394488 /nfs/dbraw/zinc/39/44/88/632394488.db2.gz MKOWPWQFNWOAKI-CQSZACIVSA-N 1 0 235.758 3.796 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000161728609 632394522 /nfs/dbraw/zinc/39/45/22/632394522.db2.gz MKOWPWQFNWOAKI-AWEZNQCLSA-N 1 0 235.758 3.796 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000161729988 632393971 /nfs/dbraw/zinc/39/39/71/632393971.db2.gz ADNHWGUQOISDRW-GFCCVEGCSA-N 1 0 223.747 3.707 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000161730108 632902148 /nfs/dbraw/zinc/90/21/48/632902148.db2.gz ADNHWGUQOISDRW-LBPRGKRZSA-N 1 0 223.747 3.707 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000161731086 632392989 /nfs/dbraw/zinc/39/29/89/632392989.db2.gz DYGUIFGIATUUSG-KOLCDFICSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000161731202 632397940 /nfs/dbraw/zinc/39/79/40/632397940.db2.gz DYGUIFGIATUUSG-ONGXEEELSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000161731342 632396842 /nfs/dbraw/zinc/39/68/42/632396842.db2.gz DYGUIFGIATUUSG-MWLCHTKSSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000161731487 632397702 /nfs/dbraw/zinc/39/77/02/632397702.db2.gz DYGUIFGIATUUSG-GXSJLCMTSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000161732658 632395840 /nfs/dbraw/zinc/39/58/40/632395840.db2.gz MCAFTAQXCUSNMN-NSHDSACASA-N 1 0 235.758 3.578 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000161732787 632396542 /nfs/dbraw/zinc/39/65/42/632396542.db2.gz MCAFTAQXCUSNMN-LLVKDONJSA-N 1 0 235.758 3.578 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000161732935 632394924 /nfs/dbraw/zinc/39/49/24/632394924.db2.gz YZSGKEWVPBJFGK-YNEHKIRRSA-N 1 0 227.779 3.687 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000161733175 632905883 /nfs/dbraw/zinc/90/58/83/632905883.db2.gz YZSGKEWVPBJFGK-JHJVBQTASA-N 1 0 227.779 3.687 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000161733477 632395859 /nfs/dbraw/zinc/39/58/59/632395859.db2.gz WXXJPBSWHGTMQH-GFCCVEGCSA-N 1 0 242.149 3.669 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000161733628 632395949 /nfs/dbraw/zinc/39/59/49/632395949.db2.gz WXXJPBSWHGTMQH-LBPRGKRZSA-N 1 0 242.149 3.669 20 30 BHEDRO C=CCC[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000161734800 487514311 /nfs/dbraw/zinc/51/43/11/487514311.db2.gz NDLZKLNGRATXKH-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=CCC[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000161735643 487514664 /nfs/dbraw/zinc/51/46/64/487514664.db2.gz OYEKJMLIOKTMOB-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000161736967 487515553 /nfs/dbraw/zinc/51/55/53/487515553.db2.gz VYGOZKLQSYGUSQ-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000161737104 487516332 /nfs/dbraw/zinc/51/63/32/487516332.db2.gz VYGOZKLQSYGUSQ-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000161739867 385499377 /nfs/dbraw/zinc/49/93/77/385499377.db2.gz KOJVWEXJGUHWLE-HZPDHXFCSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000161740018 385500487 /nfs/dbraw/zinc/50/04/87/385500487.db2.gz KOJVWEXJGUHWLE-CVEARBPZSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000161740135 385500122 /nfs/dbraw/zinc/50/01/22/385500122.db2.gz KOJVWEXJGUHWLE-JKSUJKDBSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000161740268 200720741 /nfs/dbraw/zinc/72/07/41/200720741.db2.gz KOJVWEXJGUHWLE-HOTGVXAUSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000161740386 632908942 /nfs/dbraw/zinc/90/89/42/632908942.db2.gz SSIWVNZYIPUUGR-JTQLQIEISA-N 1 0 241.787 3.812 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000161740516 632909482 /nfs/dbraw/zinc/90/94/82/632909482.db2.gz SSIWVNZYIPUUGR-SNVBAGLBSA-N 1 0 241.787 3.812 20 30 BHEDRO C=CCC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000161741907 487516598 /nfs/dbraw/zinc/51/65/98/487516598.db2.gz HCDNNMHKDBIFJS-UHFFFAOYSA-N 1 0 247.235 3.510 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000161742780 632915522 /nfs/dbraw/zinc/91/55/22/632915522.db2.gz WHYWNVBIZJXIQT-GFCCVEGCSA-N 1 0 223.747 3.707 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000161742899 632398762 /nfs/dbraw/zinc/39/87/62/632398762.db2.gz WHYWNVBIZJXIQT-LBPRGKRZSA-N 1 0 223.747 3.707 20 30 BHEDRO C=CCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000161742963 487516113 /nfs/dbraw/zinc/51/61/13/487516113.db2.gz DSJJCLWNKGCSCX-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000161743865 632399785 /nfs/dbraw/zinc/39/97/85/632399785.db2.gz KFMWWVVOEMNACP-CYBMUJFWSA-N 1 0 237.774 3.658 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000161744007 632398920 /nfs/dbraw/zinc/39/89/20/632398920.db2.gz KFMWWVVOEMNACP-ZDUSSCGKSA-N 1 0 237.774 3.658 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000161745443 632398341 /nfs/dbraw/zinc/39/83/41/632398341.db2.gz BDGXJPAYENSEFH-YGRLFVJLSA-N 1 0 235.758 3.967 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000161745573 632399561 /nfs/dbraw/zinc/39/95/61/632399561.db2.gz BDGXJPAYENSEFH-HZMBPMFUSA-N 1 0 235.758 3.967 20 30 BHEDRO C=CCC[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000161745616 487605904 /nfs/dbraw/zinc/60/59/04/487605904.db2.gz NVMVKFFYHNRENN-UHFFFAOYSA-N 1 0 247.235 3.510 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000161745684 632399357 /nfs/dbraw/zinc/39/93/57/632399357.db2.gz BDGXJPAYENSEFH-QMTHXVAHSA-N 1 0 235.758 3.967 20 30 BHEDRO C=CCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000161745785 487516592 /nfs/dbraw/zinc/51/65/92/487516592.db2.gz RVXZMNRTUOYQQP-UHFFFAOYSA-N 1 0 247.235 3.510 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000161745808 632399683 /nfs/dbraw/zinc/39/96/83/632399683.db2.gz BDGXJPAYENSEFH-IINYFYTJSA-N 1 0 235.758 3.967 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(CC)s1 ZINC000161747764 632401292 /nfs/dbraw/zinc/40/12/92/632401292.db2.gz MNGRALVDZRTKKS-SECBINFHSA-N 1 0 229.776 3.714 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000161747885 632401138 /nfs/dbraw/zinc/40/11/38/632401138.db2.gz MNGRALVDZRTKKS-VIFPVBQESA-N 1 0 229.776 3.714 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000161749808 632917187 /nfs/dbraw/zinc/91/71/87/632917187.db2.gz KDALGUXPULAEBN-LBPRGKRZSA-N 1 0 227.710 3.619 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000161749924 632400632 /nfs/dbraw/zinc/40/06/32/632400632.db2.gz KDALGUXPULAEBN-GFCCVEGCSA-N 1 0 227.710 3.619 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC)C[C@H](C)CC ZINC000161752960 711617878 /nfs/dbraw/zinc/61/78/78/711617878.db2.gz TXKREHPSWRSJAO-MWLCHTKSSA-N 1 0 203.757 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC)C[C@@H](C)CC ZINC000161753108 711617419 /nfs/dbraw/zinc/61/74/19/711617419.db2.gz TXKREHPSWRSJAO-GXSJLCMTSA-N 1 0 203.757 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC)C[C@H](C)CC ZINC000161753227 632921397 /nfs/dbraw/zinc/92/13/97/632921397.db2.gz TXKREHPSWRSJAO-KOLCDFICSA-N 1 0 203.757 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000161753354 632920783 /nfs/dbraw/zinc/92/07/83/632920783.db2.gz TXKREHPSWRSJAO-ONGXEEELSA-N 1 0 203.757 3.543 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1cc2ccccc2o1 ZINC000161860798 134840481 /nfs/dbraw/zinc/84/04/81/134840481.db2.gz PEXFUYRTHNESGH-LBPRGKRZSA-N 1 0 242.322 3.777 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1cc2ccccc2o1 ZINC000161860922 384535560 /nfs/dbraw/zinc/53/55/60/384535560.db2.gz PEXFUYRTHNESGH-GFCCVEGCSA-N 1 0 242.322 3.777 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1ccc2c(c1)CCCC2 ZINC000162042734 384561695 /nfs/dbraw/zinc/56/16/95/384561695.db2.gz PASPGAMUQPZQET-ZDUSSCGKSA-N 1 0 242.366 3.520 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1ccc2c(c1)CCCC2 ZINC000162042842 384562881 /nfs/dbraw/zinc/56/28/81/384562881.db2.gz PASPGAMUQPZQET-CYBMUJFWSA-N 1 0 242.366 3.520 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000162082972 385426777 /nfs/dbraw/zinc/42/67/77/385426777.db2.gz RKDHOUKCRNJPJX-ZFWWWQNUSA-N 1 0 217.356 3.938 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000162083088 385426708 /nfs/dbraw/zinc/42/67/08/385426708.db2.gz RKDHOUKCRNJPJX-DZGCQCFKSA-N 1 0 217.356 3.938 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000162083213 385434228 /nfs/dbraw/zinc/43/42/28/385434228.db2.gz RKDHOUKCRNJPJX-HIFRSBDPSA-N 1 0 217.356 3.938 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000162083340 527033144 /nfs/dbraw/zinc/03/31/44/527033144.db2.gz RKDHOUKCRNJPJX-UKRRQHHQSA-N 1 0 217.356 3.938 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000162083477 385436231 /nfs/dbraw/zinc/43/62/31/385436231.db2.gz ITPPURMVRJOPHS-WFASDCNBSA-N 1 0 215.340 3.692 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000162083607 385469495 /nfs/dbraw/zinc/46/94/95/385469495.db2.gz ITPPURMVRJOPHS-DOMZBBRYSA-N 1 0 215.340 3.692 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000162083744 385470714 /nfs/dbraw/zinc/47/07/14/385470714.db2.gz ITPPURMVRJOPHS-SWLSCSKDSA-N 1 0 215.340 3.692 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000162083877 385470631 /nfs/dbraw/zinc/47/06/31/385470631.db2.gz ITPPURMVRJOPHS-IUODEOHRSA-N 1 0 215.340 3.692 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000162085089 632919400 /nfs/dbraw/zinc/91/94/00/632919400.db2.gz ACKUMHXARFDBAG-LLVKDONJSA-N 1 0 227.760 3.541 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000162085219 632919281 /nfs/dbraw/zinc/91/92/81/632919281.db2.gz ACKUMHXARFDBAG-NSHDSACASA-N 1 0 227.760 3.541 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000162156980 385483195 /nfs/dbraw/zinc/48/31/95/385483195.db2.gz KFTLHEHYZRHNTK-AWEZNQCLSA-N 1 0 203.329 3.612 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000162157120 385482981 /nfs/dbraw/zinc/48/29/81/385482981.db2.gz KFTLHEHYZRHNTK-CQSZACIVSA-N 1 0 203.329 3.612 20 30 BHEDRO C=CCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000162158218 388118312 /nfs/dbraw/zinc/11/83/12/388118312.db2.gz KSKOOPBVMIDVNP-AWEZNQCLSA-N 1 0 203.329 3.694 20 30 BHEDRO C=CCC[NH2+][C@H](CCC)c1ccccc1 ZINC000162158357 200720160 /nfs/dbraw/zinc/72/01/60/200720160.db2.gz KSKOOPBVMIDVNP-CQSZACIVSA-N 1 0 203.329 3.694 20 30 BHEDRO C=CCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000162158487 349579394 /nfs/dbraw/zinc/57/93/94/349579394.db2.gz WOOYYJMEZSORQQ-HNNXBMFYSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000162158630 133518468 /nfs/dbraw/zinc/51/84/68/133518468.db2.gz WOOYYJMEZSORQQ-OAHLLOKOSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000162193822 133519088 /nfs/dbraw/zinc/51/90/88/133519088.db2.gz MBEQJWIKVCPBNU-ZDUSSCGKSA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000162193945 361339356 /nfs/dbraw/zinc/33/93/56/361339356.db2.gz MBEQJWIKVCPBNU-CYBMUJFWSA-N 1 0 223.747 3.957 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000162195260 388123532 /nfs/dbraw/zinc/12/35/32/388123532.db2.gz HYESGBYQVOTTFN-CYBMUJFWSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000162195370 201778515 /nfs/dbraw/zinc/77/85/15/201778515.db2.gz HYESGBYQVOTTFN-ZDUSSCGKSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000162197264 201778684 /nfs/dbraw/zinc/77/86/84/201778684.db2.gz XHGWFVJPPSOVJK-CYBMUJFWSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000162197384 388123333 /nfs/dbraw/zinc/12/33/33/388123333.db2.gz XHGWFVJPPSOVJK-ZDUSSCGKSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000162200688 345302967 /nfs/dbraw/zinc/30/29/67/345302967.db2.gz BCGPKSXRHSGQDR-NSHDSACASA-N 1 0 221.369 3.635 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000162200782 361339578 /nfs/dbraw/zinc/33/95/78/361339578.db2.gz BCGPKSXRHSGQDR-LLVKDONJSA-N 1 0 221.369 3.635 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000162201357 219855072 /nfs/dbraw/zinc/85/50/72/219855072.db2.gz GBSZIDAIBUBOIP-VIFPVBQESA-N 1 0 227.710 3.706 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000162201449 385803721 /nfs/dbraw/zinc/80/37/21/385803721.db2.gz GBSZIDAIBUBOIP-SECBINFHSA-N 1 0 227.710 3.706 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000162249677 385455420 /nfs/dbraw/zinc/45/54/20/385455420.db2.gz NGUUXHOCGNPLQC-CYBMUJFWSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000162249814 388134847 /nfs/dbraw/zinc/13/48/47/388134847.db2.gz NGUUXHOCGNPLQC-ZDUSSCGKSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000162337102 634078330 /nfs/dbraw/zinc/07/83/30/634078330.db2.gz IHLGVLQVSODHOW-ZMLRMANQSA-N 1 0 238.400 3.703 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000162337210 634079411 /nfs/dbraw/zinc/07/94/11/634079411.db2.gz IHLGVLQVSODHOW-DLOVCJGASA-N 1 0 238.400 3.703 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000162337308 634078377 /nfs/dbraw/zinc/07/83/77/634078377.db2.gz IHLGVLQVSODHOW-MVWJERBFSA-N 1 0 238.400 3.703 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000162337421 634078129 /nfs/dbraw/zinc/07/81/29/634078129.db2.gz IHLGVLQVSODHOW-WCQGTBRESA-N 1 0 238.400 3.703 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H](C)c1cnccn1 ZINC000162344806 634087069 /nfs/dbraw/zinc/08/70/69/634087069.db2.gz DPCLVRLYCSOBRR-AWEZNQCLSA-N 1 0 249.402 3.878 20 30 BHEDRO CCCCCCCCC[NH2+][C@H](C)c1cnccn1 ZINC000162344941 634087399 /nfs/dbraw/zinc/08/73/99/634087399.db2.gz DPCLVRLYCSOBRR-CQSZACIVSA-N 1 0 249.402 3.878 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000162390241 634113080 /nfs/dbraw/zinc/11/30/80/634113080.db2.gz AFFMZBZTLZUKOS-RYUDHWBXSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000162390376 634114906 /nfs/dbraw/zinc/11/49/06/634114906.db2.gz AFFMZBZTLZUKOS-NWDGAFQWSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1nc(C)cs1 ZINC000162390506 634115777 /nfs/dbraw/zinc/11/57/77/634115777.db2.gz AFFMZBZTLZUKOS-NEPJUHHUSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1nc(C)cs1 ZINC000162390607 634115452 /nfs/dbraw/zinc/11/54/52/634115452.db2.gz AFFMZBZTLZUKOS-VXGBXAGGSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000162396237 538922229 /nfs/dbraw/zinc/92/22/29/538922229.db2.gz AMUREZAZWJHIJG-VIFPVBQESA-N 1 0 227.710 3.706 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000162396363 538922145 /nfs/dbraw/zinc/92/21/45/538922145.db2.gz AMUREZAZWJHIJG-SECBINFHSA-N 1 0 227.710 3.706 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000162397440 388162278 /nfs/dbraw/zinc/16/22/78/388162278.db2.gz XMRRJDDZPQCNFK-VIFPVBQESA-N 1 0 227.710 3.706 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000162397578 388162694 /nfs/dbraw/zinc/16/26/94/388162694.db2.gz XMRRJDDZPQCNFK-SECBINFHSA-N 1 0 227.710 3.706 20 30 BHEDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000162670712 371742711 /nfs/dbraw/zinc/74/27/11/371742711.db2.gz AXRHDVQFOLWYPG-STQMWFEESA-N 1 0 244.382 3.891 20 30 BHEDRO C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cccc(C#N)c1 ZINC000162670839 371743634 /nfs/dbraw/zinc/74/36/34/371743634.db2.gz AXRHDVQFOLWYPG-OLZOCXBDSA-N 1 0 244.382 3.891 20 30 BHEDRO C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1cccc(C#N)c1 ZINC000162670942 371743468 /nfs/dbraw/zinc/74/34/68/371743468.db2.gz AXRHDVQFOLWYPG-QWHCGFSZSA-N 1 0 244.382 3.891 20 30 BHEDRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cccc(C#N)c1 ZINC000162671029 371743574 /nfs/dbraw/zinc/74/35/74/371743574.db2.gz AXRHDVQFOLWYPG-CHWSQXEVSA-N 1 0 244.382 3.891 20 30 BHEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)(C)C ZINC000162732580 371834480 /nfs/dbraw/zinc/83/44/80/371834480.db2.gz JPKTUSJKXWFRIU-STQMWFEESA-N 1 0 244.382 3.891 20 30 BHEDRO C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000162732675 371834931 /nfs/dbraw/zinc/83/49/31/371834931.db2.gz JPKTUSJKXWFRIU-OLZOCXBDSA-N 1 0 244.382 3.891 20 30 BHEDRO C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000162732782 344020157 /nfs/dbraw/zinc/02/01/57/344020157.db2.gz JPKTUSJKXWFRIU-QWHCGFSZSA-N 1 0 244.382 3.891 20 30 BHEDRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000162732892 371833722 /nfs/dbraw/zinc/83/37/22/371833722.db2.gz JPKTUSJKXWFRIU-CHWSQXEVSA-N 1 0 244.382 3.891 20 30 BHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162855682 371868575 /nfs/dbraw/zinc/86/85/75/371868575.db2.gz GJTFWSNCZJGLFC-LLVKDONJSA-N 1 0 248.757 3.586 20 30 BHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162855803 371868387 /nfs/dbraw/zinc/86/83/87/371868387.db2.gz GJTFWSNCZJGLFC-NSHDSACASA-N 1 0 248.757 3.586 20 30 BHEDRO C[N@H+](Cc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000162863830 202084012 /nfs/dbraw/zinc/08/40/12/202084012.db2.gz CKTBUMURQBLHCJ-UHFFFAOYSA-N 1 0 248.757 3.586 20 30 BHEDRO CCC[N@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000162864222 371871097 /nfs/dbraw/zinc/87/10/97/371871097.db2.gz KOKJRXXAPUZDED-UHFFFAOYSA-N 1 0 248.757 3.586 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162872433 371873537 /nfs/dbraw/zinc/87/35/37/371873537.db2.gz BIXQALVKCVOOMQ-CYBMUJFWSA-N 1 0 248.757 3.586 20 30 BHEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162872531 371873256 /nfs/dbraw/zinc/87/32/56/371873256.db2.gz BIXQALVKCVOOMQ-ZDUSSCGKSA-N 1 0 248.757 3.586 20 30 BHEDRO CC1(C)CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162905367 371880832 /nfs/dbraw/zinc/88/08/32/371880832.db2.gz AREPOKATMQRWGV-UHFFFAOYSA-N 1 0 248.757 3.586 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)cc1 ZINC000162967198 350487155 /nfs/dbraw/zinc/48/71/55/350487155.db2.gz PSVRZOVLBBKKLP-LBPRGKRZSA-N 1 0 248.345 3.806 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)cc1 ZINC000162967323 350487065 /nfs/dbraw/zinc/48/70/65/350487065.db2.gz PSVRZOVLBBKKLP-GFCCVEGCSA-N 1 0 248.345 3.806 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000162977524 202125415 /nfs/dbraw/zinc/12/54/15/202125415.db2.gz NYCKSAUCICAQEJ-VIFPVBQESA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000162977620 202126355 /nfs/dbraw/zinc/12/63/55/202126355.db2.gz NYCKSAUCICAQEJ-SECBINFHSA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccccc1F ZINC000163181616 386654790 /nfs/dbraw/zinc/65/47/90/386654790.db2.gz IGLMGZWBQFTWSG-FZMZJTMJSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccccc1F ZINC000163181739 202251343 /nfs/dbraw/zinc/25/13/43/202251343.db2.gz IGLMGZWBQFTWSG-SMDDNHRTSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1F ZINC000163181845 202250935 /nfs/dbraw/zinc/25/09/35/202250935.db2.gz IGLMGZWBQFTWSG-RISCZKNCSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccccc1F ZINC000163181919 202251067 /nfs/dbraw/zinc/25/10/67/202251067.db2.gz IGLMGZWBQFTWSG-BXUZGUMPSA-N 1 0 221.319 3.831 20 30 BHEDRO C=C(Cl)CN[C@@H](CC)c1ccccc1F ZINC000163182254 636189327 /nfs/dbraw/zinc/18/93/27/636189327.db2.gz DKVZJWHOVJHUQS-LBPRGKRZSA-N 1 0 227.710 3.619 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccccc1OCC ZINC000163308927 202368298 /nfs/dbraw/zinc/36/82/98/202368298.db2.gz SCFQQTTXNIMGHA-QWHCGFSZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccccc1OCC ZINC000163309025 202367535 /nfs/dbraw/zinc/36/75/35/202367535.db2.gz SCFQQTTXNIMGHA-STQMWFEESA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccccc1OCC ZINC000163309141 202368323 /nfs/dbraw/zinc/36/83/23/202368323.db2.gz SCFQQTTXNIMGHA-CHWSQXEVSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OCC ZINC000163309260 202368510 /nfs/dbraw/zinc/36/85/10/202368510.db2.gz SCFQQTTXNIMGHA-OLZOCXBDSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163312530 202375771 /nfs/dbraw/zinc/37/57/71/202375771.db2.gz YKTLBKHJKPRCQI-NWDGAFQWSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163312632 202376754 /nfs/dbraw/zinc/37/67/54/202376754.db2.gz YKTLBKHJKPRCQI-RYUDHWBXSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163312734 202377111 /nfs/dbraw/zinc/37/71/11/202377111.db2.gz YKTLBKHJKPRCQI-VXGBXAGGSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163312853 202375848 /nfs/dbraw/zinc/37/58/48/202375848.db2.gz YKTLBKHJKPRCQI-NEPJUHHUSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000163312971 202376910 /nfs/dbraw/zinc/37/69/10/202376910.db2.gz FZQULDMMHATOBV-WFASDCNBSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000163313074 386158058 /nfs/dbraw/zinc/15/80/58/386158058.db2.gz FZQULDMMHATOBV-SWLSCSKDSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000163313199 202374767 /nfs/dbraw/zinc/37/47/67/202374767.db2.gz FZQULDMMHATOBV-DOMZBBRYSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000163313313 202375757 /nfs/dbraw/zinc/37/57/57/202375757.db2.gz FZQULDMMHATOBV-IUODEOHRSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000163313461 202374899 /nfs/dbraw/zinc/37/48/99/202374899.db2.gz DQLZSNNZUNEGAU-STQMWFEESA-N 1 0 229.367 3.791 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000163313571 202374433 /nfs/dbraw/zinc/37/44/33/202374433.db2.gz DQLZSNNZUNEGAU-OLZOCXBDSA-N 1 0 229.367 3.791 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000163313678 386156785 /nfs/dbraw/zinc/15/67/85/386156785.db2.gz DQLZSNNZUNEGAU-QWHCGFSZSA-N 1 0 229.367 3.791 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000163313779 202375976 /nfs/dbraw/zinc/37/59/76/202375976.db2.gz DQLZSNNZUNEGAU-CHWSQXEVSA-N 1 0 229.367 3.791 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000163315679 636441026 /nfs/dbraw/zinc/44/10/26/636441026.db2.gz GHXWDCGXODMRAP-WFASDCNBSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000163315760 636441046 /nfs/dbraw/zinc/44/10/46/636441046.db2.gz GHXWDCGXODMRAP-SWLSCSKDSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000163315827 636441007 /nfs/dbraw/zinc/44/10/07/636441007.db2.gz GHXWDCGXODMRAP-DOMZBBRYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000163315920 636441014 /nfs/dbraw/zinc/44/10/14/636441014.db2.gz GHXWDCGXODMRAP-IUODEOHRSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000163318554 202380077 /nfs/dbraw/zinc/38/00/77/202380077.db2.gz UCAYZOJAMDLDEN-BLLLJJGKSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000163318696 202380651 /nfs/dbraw/zinc/38/06/51/202380651.db2.gz UCAYZOJAMDLDEN-MLGOLLRUSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000163318812 202378681 /nfs/dbraw/zinc/37/86/81/202378681.db2.gz UCAYZOJAMDLDEN-LRDDRELGSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000163318899 202378534 /nfs/dbraw/zinc/37/85/34/202378534.db2.gz UCAYZOJAMDLDEN-WBMJQRKESA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000163319996 353349048 /nfs/dbraw/zinc/34/90/48/353349048.db2.gz CSILYBOEEJUWOC-QWRGUYRKSA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000163320110 133658307 /nfs/dbraw/zinc/65/83/07/133658307.db2.gz CSILYBOEEJUWOC-MNOVXSKESA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000163320217 133657778 /nfs/dbraw/zinc/65/77/78/133657778.db2.gz CSILYBOEEJUWOC-WDEREUQCSA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000163320320 133658503 /nfs/dbraw/zinc/65/85/03/133658503.db2.gz CSILYBOEEJUWOC-GHMZBOCLSA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000163321433 202379027 /nfs/dbraw/zinc/37/90/27/202379027.db2.gz BPFIWWHFWGDWRS-KBPBESRZSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000163321537 202379745 /nfs/dbraw/zinc/37/97/45/202379745.db2.gz BPFIWWHFWGDWRS-UONOGXRCSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000163321632 385747456 /nfs/dbraw/zinc/74/74/56/385747456.db2.gz BPFIWWHFWGDWRS-KGLIPLIRSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000163321756 202384297 /nfs/dbraw/zinc/38/42/97/202384297.db2.gz BPFIWWHFWGDWRS-ZIAGYGMSSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000163321898 385748072 /nfs/dbraw/zinc/74/80/72/385748072.db2.gz OPCHNLYLTBAQEQ-QWHCGFSZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000163322022 202383569 /nfs/dbraw/zinc/38/35/69/202383569.db2.gz OPCHNLYLTBAQEQ-STQMWFEESA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000163322130 386156711 /nfs/dbraw/zinc/15/67/11/386156711.db2.gz OPCHNLYLTBAQEQ-CHWSQXEVSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000163322260 202383863 /nfs/dbraw/zinc/38/38/63/202383863.db2.gz OPCHNLYLTBAQEQ-OLZOCXBDSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000163327408 202383557 /nfs/dbraw/zinc/38/35/57/202383557.db2.gz IOAHHENWKRTZID-LSDHHAIUSA-N 1 0 231.383 3.870 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000163327482 202384287 /nfs/dbraw/zinc/38/42/87/202384287.db2.gz IOAHHENWKRTZID-GJZGRUSLSA-N 1 0 231.383 3.870 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000163327561 202384685 /nfs/dbraw/zinc/38/46/85/202384685.db2.gz IOAHHENWKRTZID-HUUCEWRRSA-N 1 0 231.383 3.870 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000163327664 202384398 /nfs/dbraw/zinc/38/43/98/202384398.db2.gz IOAHHENWKRTZID-CABCVRRESA-N 1 0 231.383 3.870 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000163330927 202383983 /nfs/dbraw/zinc/38/39/83/202383983.db2.gz ZQPLLTYZCATHBM-JSGCOSHPSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccccc1OC ZINC000163331042 487553846 /nfs/dbraw/zinc/55/38/46/487553846.db2.gz ZQPLLTYZCATHBM-GXTWGEPZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000163331171 202382898 /nfs/dbraw/zinc/38/28/98/202382898.db2.gz ZQPLLTYZCATHBM-OCCSQVGLSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccccc1OC ZINC000163331276 202383511 /nfs/dbraw/zinc/38/35/11/202383511.db2.gz ZQPLLTYZCATHBM-TZMCWYRMSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000163333368 202391551 /nfs/dbraw/zinc/39/15/51/202391551.db2.gz IIIHVFUXJKVAFX-QWHCGFSZSA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000163333486 202392218 /nfs/dbraw/zinc/39/22/18/202392218.db2.gz IIIHVFUXJKVAFX-STQMWFEESA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000163333612 202391882 /nfs/dbraw/zinc/39/18/82/202391882.db2.gz IIIHVFUXJKVAFX-CHWSQXEVSA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000163333743 202391521 /nfs/dbraw/zinc/39/15/21/202391521.db2.gz IIIHVFUXJKVAFX-OLZOCXBDSA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000163335601 323040275 /nfs/dbraw/zinc/04/02/75/323040275.db2.gz BEWZVKVBQDLJLT-QWHCGFSZSA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000163335693 323040198 /nfs/dbraw/zinc/04/01/98/323040198.db2.gz BEWZVKVBQDLJLT-STQMWFEESA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000163335815 323040074 /nfs/dbraw/zinc/04/00/74/323040074.db2.gz BEWZVKVBQDLJLT-CHWSQXEVSA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000163335925 326400319 /nfs/dbraw/zinc/40/03/19/326400319.db2.gz BEWZVKVBQDLJLT-OLZOCXBDSA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163340441 202394271 /nfs/dbraw/zinc/39/42/71/202394271.db2.gz VGPUCMAPVCLRCU-FZMZJTMJSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163340562 386157212 /nfs/dbraw/zinc/15/72/12/386157212.db2.gz VGPUCMAPVCLRCU-SMDDNHRTSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163340671 202392635 /nfs/dbraw/zinc/39/26/35/202392635.db2.gz VGPUCMAPVCLRCU-RISCZKNCSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163340793 202395078 /nfs/dbraw/zinc/39/50/78/202395078.db2.gz VGPUCMAPVCLRCU-BXUZGUMPSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000163341385 134983064 /nfs/dbraw/zinc/98/30/64/134983064.db2.gz LSENGBZAMLPSEB-BLLLJJGKSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000163341508 350515960 /nfs/dbraw/zinc/51/59/60/350515960.db2.gz LSENGBZAMLPSEB-MLGOLLRUSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000163341627 134983203 /nfs/dbraw/zinc/98/32/03/134983203.db2.gz LSENGBZAMLPSEB-LRDDRELGSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000163341752 350515761 /nfs/dbraw/zinc/51/57/61/350515761.db2.gz LSENGBZAMLPSEB-WBMJQRKESA-N 1 0 245.366 3.627 20 30 BHEDRO CC#CCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000163416348 202449825 /nfs/dbraw/zinc/44/98/25/202449825.db2.gz FBIORQWWKBXFOL-UHFFFAOYSA-N 1 0 221.388 3.594 20 30 BHEDRO CC#CCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000163419059 388285024 /nfs/dbraw/zinc/28/50/24/388285024.db2.gz NRVJXTNVCUBCPA-UHFFFAOYSA-N 1 0 235.396 3.549 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000163507773 134986386 /nfs/dbraw/zinc/98/63/86/134986386.db2.gz VWXCPVUYIOZXOV-INIZCTEOSA-N 1 0 247.382 3.710 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](CCC)c1ccccc1 ZINC000163507899 350524291 /nfs/dbraw/zinc/52/42/91/350524291.db2.gz VWXCPVUYIOZXOV-MRXNPFEDSA-N 1 0 247.382 3.710 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000163508426 387686227 /nfs/dbraw/zinc/68/62/27/387686227.db2.gz IUIFFTNVGFWOSG-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000163508535 387686025 /nfs/dbraw/zinc/68/60/25/387686025.db2.gz IUIFFTNVGFWOSG-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000163519988 350524031 /nfs/dbraw/zinc/52/40/31/350524031.db2.gz AEUPYIQSAJWKCV-INIZCTEOSA-N 1 0 247.382 3.628 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000163520104 350523918 /nfs/dbraw/zinc/52/39/18/350523918.db2.gz AEUPYIQSAJWKCV-MRXNPFEDSA-N 1 0 247.382 3.628 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H]1CCSC1 ZINC000163622249 640228743 /nfs/dbraw/zinc/22/87/43/640228743.db2.gz YKQXNYYOOOVDLM-CYBMUJFWSA-N 1 0 229.433 3.832 20 30 BHEDRO CCCCCCCCC[NH2+][C@H]1CCSC1 ZINC000163622389 643213149 /nfs/dbraw/zinc/21/31/49/643213149.db2.gz YKQXNYYOOOVDLM-ZDUSSCGKSA-N 1 0 229.433 3.832 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000163658547 640401448 /nfs/dbraw/zinc/40/14/48/640401448.db2.gz KYIKIZFBWLNCTB-JTQLQIEISA-N 1 0 232.352 3.523 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000163658644 640401397 /nfs/dbraw/zinc/40/13/97/640401397.db2.gz KYIKIZFBWLNCTB-SNVBAGLBSA-N 1 0 232.352 3.523 20 30 BHEDRO C#CCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000163660849 188581667 /nfs/dbraw/zinc/58/16/67/188581667.db2.gz HAVDJVTYCIWJDG-NSHDSACASA-N 1 0 229.348 3.575 20 30 BHEDRO C#CCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000163660947 188048708 /nfs/dbraw/zinc/04/87/08/188048708.db2.gz HAVDJVTYCIWJDG-LLVKDONJSA-N 1 0 229.348 3.575 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000163661101 386017265 /nfs/dbraw/zinc/01/72/65/386017265.db2.gz MUBUVNJOSXYBMS-JTQLQIEISA-N 1 0 217.337 3.738 20 30 BHEDRO C=CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000163661183 387843315 /nfs/dbraw/zinc/84/33/15/387843315.db2.gz MUBUVNJOSXYBMS-SNVBAGLBSA-N 1 0 217.337 3.738 20 30 BHEDRO CC#CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000163662285 387852333 /nfs/dbraw/zinc/85/23/33/387852333.db2.gz DBMUAMLOYGFGPZ-NSHDSACASA-N 1 0 229.348 3.575 20 30 BHEDRO CC#CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000163662413 387851611 /nfs/dbraw/zinc/85/16/11/387851611.db2.gz DBMUAMLOYGFGPZ-LLVKDONJSA-N 1 0 229.348 3.575 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000163666083 387853118 /nfs/dbraw/zinc/85/31/18/387853118.db2.gz VESOEHYEGXLBQX-UHFFFAOYSA-N 1 0 231.383 3.954 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000163741170 387927085 /nfs/dbraw/zinc/92/70/85/387927085.db2.gz JFDLMHVAQIQRAC-XHDPSFHLSA-N 1 0 233.330 3.831 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000163741287 202660940 /nfs/dbraw/zinc/66/09/40/202660940.db2.gz JFDLMHVAQIQRAC-IAQYHMDHSA-N 1 0 233.330 3.831 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000163741411 387927428 /nfs/dbraw/zinc/92/74/28/387927428.db2.gz JFDLMHVAQIQRAC-NHYWBVRUSA-N 1 0 233.330 3.831 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000163741535 387927885 /nfs/dbraw/zinc/92/78/85/387927885.db2.gz JFDLMHVAQIQRAC-ABAIWWIYSA-N 1 0 233.330 3.831 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000163742167 538930061 /nfs/dbraw/zinc/93/00/61/538930061.db2.gz MMMQHONXBQWWRD-BLLLJJGKSA-N 1 0 245.366 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000163742286 202666025 /nfs/dbraw/zinc/66/60/25/202666025.db2.gz MMMQHONXBQWWRD-MLGOLLRUSA-N 1 0 245.366 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000163742407 202666132 /nfs/dbraw/zinc/66/61/32/202666132.db2.gz MMMQHONXBQWWRD-LRDDRELGSA-N 1 0 245.366 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000163742525 538930234 /nfs/dbraw/zinc/93/02/34/538930234.db2.gz MMMQHONXBQWWRD-WBMJQRKESA-N 1 0 245.366 3.701 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000163822773 202775628 /nfs/dbraw/zinc/77/56/28/202775628.db2.gz IUOVXWWWWWKXHK-JTQLQIEISA-N 1 0 243.272 3.932 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000163822890 202775216 /nfs/dbraw/zinc/77/52/16/202775216.db2.gz IUOVXWWWWWKXHK-SNVBAGLBSA-N 1 0 243.272 3.932 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000163852728 388095031 /nfs/dbraw/zinc/09/50/31/388095031.db2.gz IKTRCRUZERYRNR-ZDUSSCGKSA-N 1 0 229.367 3.792 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000163852845 388094905 /nfs/dbraw/zinc/09/49/05/388094905.db2.gz IKTRCRUZERYRNR-CYBMUJFWSA-N 1 0 229.367 3.792 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000163895449 388098792 /nfs/dbraw/zinc/09/87/92/388098792.db2.gz MMVAKRUMURSVTF-JTQLQIEISA-N 1 0 243.272 3.932 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000163895555 388098910 /nfs/dbraw/zinc/09/89/10/388098910.db2.gz MMVAKRUMURSVTF-SNVBAGLBSA-N 1 0 243.272 3.932 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000163900331 166267423 /nfs/dbraw/zinc/26/74/23/166267423.db2.gz ONWLMAIGUQXYTQ-JTQLQIEISA-N 1 0 241.281 3.515 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000163900437 166267603 /nfs/dbraw/zinc/26/76/03/166267603.db2.gz ONWLMAIGUQXYTQ-SNVBAGLBSA-N 1 0 241.281 3.515 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000163903702 202791616 /nfs/dbraw/zinc/79/16/16/202791616.db2.gz DZDQCSBXAUGHAR-CYBMUJFWSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000163903822 202791630 /nfs/dbraw/zinc/79/16/30/202791630.db2.gz DZDQCSBXAUGHAR-ZDUSSCGKSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000163908675 166267481 /nfs/dbraw/zinc/26/74/81/166267481.db2.gz KJXJGWYMSJFEPI-JTQLQIEISA-N 1 0 241.281 3.515 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000163908790 166266246 /nfs/dbraw/zinc/26/62/46/166266246.db2.gz KJXJGWYMSJFEPI-SNVBAGLBSA-N 1 0 241.281 3.515 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000163909985 388098811 /nfs/dbraw/zinc/09/88/11/388098811.db2.gz NYQWOYOXNZSWGO-JTQLQIEISA-N 1 0 241.281 3.515 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000163910078 388099279 /nfs/dbraw/zinc/09/92/79/388099279.db2.gz NYQWOYOXNZSWGO-SNVBAGLBSA-N 1 0 241.281 3.515 20 30 BHEDRO C=CCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000163923834 135210637 /nfs/dbraw/zinc/21/06/37/135210637.db2.gz ZDXSTGUYRCPXPE-LBPRGKRZSA-N 1 0 243.272 3.846 20 30 BHEDRO C=CCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000163923940 135210425 /nfs/dbraw/zinc/21/04/25/135210425.db2.gz ZDXSTGUYRCPXPE-GFCCVEGCSA-N 1 0 243.272 3.846 20 30 BHEDRO C[C@H]([NH2+]CCC(C)(C)C)c1cccc(C#N)c1 ZINC000163951298 388388140 /nfs/dbraw/zinc/38/81/40/388388140.db2.gz HUHUZTOHAMWKQT-LBPRGKRZSA-N 1 0 230.355 3.645 20 30 BHEDRO C[C@@H]([NH2+]CCC(C)(C)C)c1cccc(C#N)c1 ZINC000163951426 202802415 /nfs/dbraw/zinc/80/24/15/202802415.db2.gz HUHUZTOHAMWKQT-GFCCVEGCSA-N 1 0 230.355 3.645 20 30 BHEDRO C=C[C@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000164032848 388135507 /nfs/dbraw/zinc/13/55/07/388135507.db2.gz MOEOBQNAUNEZFN-JKDOVBDQSA-N 1 0 235.758 3.750 20 30 BHEDRO C=C[C@@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000164032960 388135400 /nfs/dbraw/zinc/13/54/00/388135400.db2.gz MOEOBQNAUNEZFN-PWQPVHBWSA-N 1 0 235.758 3.750 20 30 BHEDRO C=C(Cl)C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000164038243 635895849 /nfs/dbraw/zinc/89/58/49/635895849.db2.gz ADLATBNPUBISTD-UHFFFAOYSA-N 1 0 235.758 3.583 20 30 BHEDRO C=C(Cl)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000164038514 635895816 /nfs/dbraw/zinc/89/58/16/635895816.db2.gz UQNIVRWGCQBBNC-UHFFFAOYSA-N 1 0 235.758 3.583 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000164088632 640439273 /nfs/dbraw/zinc/43/92/73/640439273.db2.gz PKCDAYDFSAQUJO-LBPRGKRZSA-N 1 0 227.710 3.619 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC)c1cccc(F)c1 ZINC000164088751 640439388 /nfs/dbraw/zinc/43/93/88/640439388.db2.gz PKCDAYDFSAQUJO-GFCCVEGCSA-N 1 0 227.710 3.619 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000164090060 135214272 /nfs/dbraw/zinc/21/42/72/135214272.db2.gz QQXMFRSIGMPCLY-FZMZJTMJSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1cccc(F)c1 ZINC000164090158 135213620 /nfs/dbraw/zinc/21/36/20/135213620.db2.gz QQXMFRSIGMPCLY-SMDDNHRTSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000164090267 135213686 /nfs/dbraw/zinc/21/36/86/135213686.db2.gz QQXMFRSIGMPCLY-RISCZKNCSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1cccc(F)c1 ZINC000164090388 135214303 /nfs/dbraw/zinc/21/43/03/135214303.db2.gz QQXMFRSIGMPCLY-BXUZGUMPSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000164104384 388152879 /nfs/dbraw/zinc/15/28/79/388152879.db2.gz UNHBOMHKYJICFJ-JTQLQIEISA-N 1 0 243.272 3.932 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000164104490 388152884 /nfs/dbraw/zinc/15/28/84/388152884.db2.gz UNHBOMHKYJICFJ-SNVBAGLBSA-N 1 0 243.272 3.932 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000164130871 388158172 /nfs/dbraw/zinc/15/81/72/388158172.db2.gz MUFWXDOWOBZJMI-CQSZACIVSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000164130990 388158244 /nfs/dbraw/zinc/15/82/44/388158244.db2.gz MUFWXDOWOBZJMI-AWEZNQCLSA-N 1 0 247.382 3.948 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000164418235 203072205 /nfs/dbraw/zinc/07/22/05/203072205.db2.gz CBDPIRIJFFMMLN-UHFFFAOYSA-N 1 0 243.272 3.761 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000164424045 203080561 /nfs/dbraw/zinc/08/05/61/203080561.db2.gz LPUXTULOVRZXCK-UHFFFAOYSA-N 1 0 243.272 3.761 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000164424180 203080567 /nfs/dbraw/zinc/08/05/67/203080567.db2.gz JPMSFVIRWVTVSF-UHFFFAOYSA-N 1 0 243.272 3.761 20 30 BHEDRO CCC(CC)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164518459 203151756 /nfs/dbraw/zinc/15/17/56/203151756.db2.gz BYNRSMPETATLKH-LBPRGKRZSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC(CC)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164518569 203151456 /nfs/dbraw/zinc/15/14/56/203151456.db2.gz BYNRSMPETATLKH-GFCCVEGCSA-N 1 0 230.355 3.645 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)(C)C ZINC000164529585 353386501 /nfs/dbraw/zinc/38/65/01/353386501.db2.gz BLMOUBFNJFHPKI-NWDGAFQWSA-N 1 0 230.355 3.643 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000164529707 353386138 /nfs/dbraw/zinc/38/61/38/353386138.db2.gz BLMOUBFNJFHPKI-VXGBXAGGSA-N 1 0 230.355 3.643 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000164530095 353386411 /nfs/dbraw/zinc/38/64/11/353386411.db2.gz KGHLSCSGVCHZCY-NWDGAFQWSA-N 1 0 230.355 3.643 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cccc(C#N)c1 ZINC000164530216 353386117 /nfs/dbraw/zinc/38/61/17/353386117.db2.gz KGHLSCSGVCHZCY-VXGBXAGGSA-N 1 0 230.355 3.643 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000164562541 166267388 /nfs/dbraw/zinc/26/73/88/166267388.db2.gz KLLGCFHJPZJYBW-NSHDSACASA-N 1 0 215.296 3.660 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000164562670 166266810 /nfs/dbraw/zinc/26/68/10/166266810.db2.gz KLLGCFHJPZJYBW-LLVKDONJSA-N 1 0 215.296 3.660 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000164569106 640491410 /nfs/dbraw/zinc/49/14/10/640491410.db2.gz CRSKPDUJEJIRFE-JTQLQIEISA-N 1 0 232.352 3.523 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000164569237 640491326 /nfs/dbraw/zinc/49/13/26/640491326.db2.gz CRSKPDUJEJIRFE-SNVBAGLBSA-N 1 0 232.352 3.523 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000164610861 203211721 /nfs/dbraw/zinc/21/17/21/203211721.db2.gz NHFYRCSRDKSGOG-KBPBESRZSA-N 1 0 231.383 3.907 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000164610996 203211730 /nfs/dbraw/zinc/21/17/30/203211730.db2.gz NHFYRCSRDKSGOG-UONOGXRCSA-N 1 0 231.383 3.907 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000164611120 203212603 /nfs/dbraw/zinc/21/26/03/203212603.db2.gz NHFYRCSRDKSGOG-KGLIPLIRSA-N 1 0 231.383 3.907 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000164611262 203212548 /nfs/dbraw/zinc/21/25/48/203212548.db2.gz NHFYRCSRDKSGOG-ZIAGYGMSSA-N 1 0 231.383 3.907 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000164612383 203217867 /nfs/dbraw/zinc/21/78/67/203217867.db2.gz DMMLFKHAANBNKT-QWRGUYRKSA-N 1 0 245.322 3.667 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000164612508 203217958 /nfs/dbraw/zinc/21/79/58/203217958.db2.gz DMMLFKHAANBNKT-MNOVXSKESA-N 1 0 245.322 3.667 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000164612635 203216609 /nfs/dbraw/zinc/21/66/09/203216609.db2.gz DMMLFKHAANBNKT-WDEREUQCSA-N 1 0 245.322 3.667 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000164612744 203217505 /nfs/dbraw/zinc/21/75/05/203217505.db2.gz DMMLFKHAANBNKT-GHMZBOCLSA-N 1 0 245.322 3.667 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164612858 203217150 /nfs/dbraw/zinc/21/71/50/203217150.db2.gz QBQIGXTTZWPGPB-BJJXKVORSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164613091 203217782 /nfs/dbraw/zinc/21/77/82/203217782.db2.gz QBQIGXTTZWPGPB-JGGQBBKZSA-N 1 0 242.366 3.788 20 30 BHEDRO CC(C)(C)CCC[NH2+]CC(C)(C)CCC#N ZINC000164638525 372175905 /nfs/dbraw/zinc/17/59/05/372175905.db2.gz FMXZROZKHMEALE-UHFFFAOYSA-N 1 0 224.392 3.732 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000164666287 203267479 /nfs/dbraw/zinc/26/74/79/203267479.db2.gz QLAFBUYHGWPBNK-SWLSCSKDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000164666405 203266754 /nfs/dbraw/zinc/26/67/54/203266754.db2.gz QLAFBUYHGWPBNK-IUODEOHRSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000164666500 203268769 /nfs/dbraw/zinc/26/87/69/203268769.db2.gz QLAFBUYHGWPBNK-WFASDCNBSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000164666595 203267657 /nfs/dbraw/zinc/26/76/57/203267657.db2.gz QLAFBUYHGWPBNK-DOMZBBRYSA-N 1 0 242.366 3.788 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000164755352 386287576 /nfs/dbraw/zinc/28/75/76/386287576.db2.gz XDXIMBKHDVRPOV-QMMMGPOBSA-N 1 0 247.235 3.509 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000164755470 386286774 /nfs/dbraw/zinc/28/67/74/386286774.db2.gz XDXIMBKHDVRPOV-MRVPVSSYSA-N 1 0 247.235 3.509 20 30 BHEDRO CC(C)CC(CC(C)C)[NH2+]CC(C)(C)C#N ZINC000164957025 384340268 /nfs/dbraw/zinc/34/02/68/384340268.db2.gz PSLFZDAKXJGZCZ-UHFFFAOYSA-N 1 0 224.392 3.587 20 30 BHEDRO CC[C@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)C ZINC000165161216 206139302 /nfs/dbraw/zinc/13/93/02/206139302.db2.gz QJGPYWFEBDFDKP-LBPRGKRZSA-N 1 0 236.384 3.534 20 30 BHEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)C ZINC000165161332 206018442 /nfs/dbraw/zinc/01/84/42/206018442.db2.gz QJGPYWFEBDFDKP-GFCCVEGCSA-N 1 0 236.384 3.534 20 30 BHEDRO CC(C)(C)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000165164873 384387273 /nfs/dbraw/zinc/38/72/73/384387273.db2.gz WMAXLJLEXFIDID-UHFFFAOYSA-N 1 0 236.384 3.536 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000165178435 342880017 /nfs/dbraw/zinc/88/00/17/342880017.db2.gz XVXRUPHKBQOMDR-BLLLJJGKSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000165178552 342880199 /nfs/dbraw/zinc/88/01/99/342880199.db2.gz XVXRUPHKBQOMDR-LRDDRELGSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000165178667 342880377 /nfs/dbraw/zinc/88/03/77/342880377.db2.gz XVXRUPHKBQOMDR-MLGOLLRUSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000165178788 342880272 /nfs/dbraw/zinc/88/02/72/342880272.db2.gz XVXRUPHKBQOMDR-WBMJQRKESA-N 1 0 242.366 3.535 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000165222620 387519113 /nfs/dbraw/zinc/51/91/13/387519113.db2.gz PUJVXMIYAFWOET-WHXUTIOJSA-N 1 0 235.293 3.662 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000165222741 203382971 /nfs/dbraw/zinc/38/29/71/203382971.db2.gz PUJVXMIYAFWOET-KPPDAEKUSA-N 1 0 235.293 3.662 20 30 BHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000165227586 203382813 /nfs/dbraw/zinc/38/28/13/203382813.db2.gz CVDBNYMKXXKDOD-LBPRGKRZSA-N 1 0 236.384 3.534 20 30 BHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000165227693 203383883 /nfs/dbraw/zinc/38/38/83/203383883.db2.gz CVDBNYMKXXKDOD-GFCCVEGCSA-N 1 0 236.384 3.534 20 30 BHEDRO CC(C)(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000165231306 384404302 /nfs/dbraw/zinc/40/43/02/384404302.db2.gz LJTWPZUCIVBLJK-UHFFFAOYSA-N 1 0 236.384 3.536 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)C1CCCC1 ZINC000165303649 342903619 /nfs/dbraw/zinc/90/36/19/342903619.db2.gz YMXCSWFQISCIRV-ZDUSSCGKSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)C1CCCC1 ZINC000165303762 342903587 /nfs/dbraw/zinc/90/35/87/342903587.db2.gz YMXCSWFQISCIRV-CYBMUJFWSA-N 1 0 242.366 3.535 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccc(C#N)cc1C ZINC000165322556 342910825 /nfs/dbraw/zinc/91/08/25/342910825.db2.gz VGUBBDRNEHKWCS-UHFFFAOYSA-N 1 0 244.382 3.925 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCCC1(C)C ZINC000165346118 342920131 /nfs/dbraw/zinc/92/01/31/342920131.db2.gz NURIPZBPAGRDLU-OAHLLOKOSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCCC1(C)C ZINC000165346236 342920140 /nfs/dbraw/zinc/92/01/40/342920140.db2.gz NURIPZBPAGRDLU-HNNXBMFYSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C#N)ccc1C[N@@H+](C)C1CCCCC1 ZINC000165432095 343331195 /nfs/dbraw/zinc/33/11/95/343331195.db2.gz BHIJOTSAEAWTGI-UHFFFAOYSA-N 1 0 242.366 3.631 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000165434527 343331008 /nfs/dbraw/zinc/33/10/08/343331008.db2.gz FCDVVTIOVXHACH-KBPBESRZSA-N 1 0 242.366 3.630 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000165434659 343332318 /nfs/dbraw/zinc/33/23/18/343332318.db2.gz FCDVVTIOVXHACH-ZIAGYGMSSA-N 1 0 242.366 3.630 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH+]1CCCCCCC1 ZINC000165435911 640580180 /nfs/dbraw/zinc/58/01/80/640580180.db2.gz VZEYQZOITMGTQQ-UHFFFAOYSA-N 1 0 242.366 3.633 20 30 BHEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000165437632 343330571 /nfs/dbraw/zinc/33/05/71/343330571.db2.gz NAVIXPCZROBEFR-MRXNPFEDSA-N 1 0 242.366 3.631 20 30 BHEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000165437770 343330818 /nfs/dbraw/zinc/33/08/18/343330818.db2.gz NAVIXPCZROBEFR-INIZCTEOSA-N 1 0 242.366 3.631 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)cc1C)C1CCCC1 ZINC000165441429 343332882 /nfs/dbraw/zinc/33/28/82/343332882.db2.gz OEJBLBGFMMBXBX-UHFFFAOYSA-N 1 0 242.366 3.631 20 30 BHEDRO CCCC[N@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000165455422 343352173 /nfs/dbraw/zinc/35/21/73/343352173.db2.gz SUZOLFLBXSFKHI-UHFFFAOYSA-N 1 0 242.366 3.631 20 30 BHEDRO Cc1cc(C#N)ccc1C[N@@H+](CC(C)C)C(C)C ZINC000165463949 343390144 /nfs/dbraw/zinc/39/01/44/343390144.db2.gz VUVBVIVOTGEENV-UHFFFAOYSA-N 1 0 244.382 3.733 20 30 BHEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000165466583 343391205 /nfs/dbraw/zinc/39/12/05/343391205.db2.gz XUMMMFJLCNUFKH-ZDUSSCGKSA-N 1 0 244.382 3.733 20 30 BHEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000165466721 343390425 /nfs/dbraw/zinc/39/04/25/343390425.db2.gz XUMMMFJLCNUFKH-CYBMUJFWSA-N 1 0 244.382 3.733 20 30 BHEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCCC[C@@H]1C ZINC000165485924 353356631 /nfs/dbraw/zinc/35/66/31/353356631.db2.gz WKDTYPMTLUDHBC-AWEZNQCLSA-N 1 0 242.366 3.631 20 30 BHEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCCC[C@H]1C ZINC000165486057 343449059 /nfs/dbraw/zinc/44/90/59/343449059.db2.gz WKDTYPMTLUDHBC-CQSZACIVSA-N 1 0 242.366 3.631 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(C#N)cc1C ZINC000165494496 343483411 /nfs/dbraw/zinc/48/34/11/343483411.db2.gz DRFNECZRAUESHZ-CYBMUJFWSA-N 1 0 244.382 3.735 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(C#N)cc1C ZINC000165494635 343483394 /nfs/dbraw/zinc/48/33/94/343483394.db2.gz DRFNECZRAUESHZ-ZDUSSCGKSA-N 1 0 244.382 3.735 20 30 BHEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1C ZINC000165502924 409874452 /nfs/dbraw/zinc/87/44/52/409874452.db2.gz USLORBIIQGAPJT-XJKSGUPXSA-N 1 0 242.366 3.630 20 30 BHEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1C ZINC000165503042 409875678 /nfs/dbraw/zinc/87/56/78/409875678.db2.gz USLORBIIQGAPJT-BBRMVZONSA-N 1 0 242.366 3.630 20 30 BHEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1C ZINC000165503179 409876420 /nfs/dbraw/zinc/87/64/20/409876420.db2.gz USLORBIIQGAPJT-CZUORRHYSA-N 1 0 242.366 3.630 20 30 BHEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1C ZINC000165503303 409875351 /nfs/dbraw/zinc/87/53/51/409875351.db2.gz USLORBIIQGAPJT-CJNGLKHVSA-N 1 0 242.366 3.630 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1cc[nH]c1 ZINC000165658190 633096730 /nfs/dbraw/zinc/09/67/30/633096730.db2.gz FZZIFHAHZFETOB-UHFFFAOYSA-N 1 0 222.376 3.855 20 30 BHEDRO C#CCCCC[NH2+]C1CCC(C(C)C)CC1 ZINC000165931620 640599758 /nfs/dbraw/zinc/59/97/58/640599758.db2.gz AVDJEQCZGVTWCC-UHFFFAOYSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+]C1CCC(CCC)CC1 ZINC000165932330 640599185 /nfs/dbraw/zinc/59/91/85/640599185.db2.gz ZISYPZGQXJCMGS-UHFFFAOYSA-N 1 0 221.388 3.738 20 30 BHEDRO CC#CCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000166301814 387630708 /nfs/dbraw/zinc/63/07/08/387630708.db2.gz XNEZCMSDRTVNKX-UHFFFAOYSA-N 1 0 241.378 3.716 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166697072 206142673 /nfs/dbraw/zinc/14/26/73/206142673.db2.gz WJWGQODUIBZSNL-UWVGGRQHSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166697190 206141430 /nfs/dbraw/zinc/14/14/30/206141430.db2.gz WJWGQODUIBZSNL-VHSXEESVSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166697317 206140658 /nfs/dbraw/zinc/14/06/58/206140658.db2.gz WJWGQODUIBZSNL-ZJUUUORDSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166697432 206141435 /nfs/dbraw/zinc/14/14/35/206141435.db2.gz WJWGQODUIBZSNL-NXEZZACHSA-N 1 0 223.282 3.662 20 30 BHEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000166713080 206142927 /nfs/dbraw/zinc/14/29/27/206142927.db2.gz PKAIMEXIDIAKDO-RDBSUJKOSA-N 1 0 236.403 3.683 20 30 BHEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000166713294 206141236 /nfs/dbraw/zinc/14/12/36/206141236.db2.gz PKAIMEXIDIAKDO-MCIONIFRSA-N 1 0 236.403 3.683 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccoc1 ZINC000166766750 206141883 /nfs/dbraw/zinc/14/18/83/206141883.db2.gz NTRKVHLKZAHXFF-ZDUSSCGKSA-N 1 0 207.317 3.504 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccoc1 ZINC000166766859 206141400 /nfs/dbraw/zinc/14/14/00/206141400.db2.gz NTRKVHLKZAHXFF-CYBMUJFWSA-N 1 0 207.317 3.504 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000167259263 206145657 /nfs/dbraw/zinc/14/56/57/206145657.db2.gz KPEIXNUDPHIGBG-KGLIPLIRSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000167259356 206145774 /nfs/dbraw/zinc/14/57/74/206145774.db2.gz KPEIXNUDPHIGBG-KBPBESRZSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000167259455 206145327 /nfs/dbraw/zinc/14/53/27/206145327.db2.gz KPEIXNUDPHIGBG-ZIAGYGMSSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000167259548 206144048 /nfs/dbraw/zinc/14/40/48/206144048.db2.gz KPEIXNUDPHIGBG-UONOGXRCSA-N 1 0 222.376 3.629 20 30 BHEDRO C[C@@H](CCC1CCCC1)[NH2+]CCCCC#N ZINC000167265547 136245404 /nfs/dbraw/zinc/24/54/04/136245404.db2.gz CVPMOBSOEJOMTC-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO C[C@H](CCC1CCCC1)[NH2+]CCCCC#N ZINC000167265655 136245263 /nfs/dbraw/zinc/24/52/63/136245263.db2.gz CVPMOBSOEJOMTC-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+]CCCCC#N)s1 ZINC000167265994 136274077 /nfs/dbraw/zinc/27/40/77/136274077.db2.gz NMARCOPKUOMJAU-LLVKDONJSA-N 1 0 236.384 3.655 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+]CCCCC#N)s1 ZINC000167266102 136274104 /nfs/dbraw/zinc/27/41/04/136274104.db2.gz NMARCOPKUOMJAU-NSHDSACASA-N 1 0 236.384 3.655 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000167456410 206145484 /nfs/dbraw/zinc/14/54/84/206145484.db2.gz KHIRXYQORCANAX-UHFFFAOYSA-N 1 0 223.385 3.711 20 30 BHEDRO C=C(C)C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000167486217 387823074 /nfs/dbraw/zinc/82/30/74/387823074.db2.gz DCRMTAONRRWNNX-UHFFFAOYSA-N 1 0 235.714 3.752 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000167510399 386843797 /nfs/dbraw/zinc/84/37/97/386843797.db2.gz NUBTWTGWQPIRLL-ZOODHJKOSA-N 1 0 233.330 3.626 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000167510508 386843932 /nfs/dbraw/zinc/84/39/32/386843932.db2.gz NUBTWTGWQPIRLL-NUYPLMSZSA-N 1 0 233.330 3.626 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000167510623 187364671 /nfs/dbraw/zinc/36/46/71/187364671.db2.gz QOCOZGHUELMXAB-ZOODHJKOSA-N 1 0 233.330 3.626 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000167510734 166432611 /nfs/dbraw/zinc/43/26/11/166432611.db2.gz QOCOZGHUELMXAB-NUYPLMSZSA-N 1 0 233.330 3.626 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000167510855 206145779 /nfs/dbraw/zinc/14/57/79/206145779.db2.gz VZNYJWFXKOGPCE-JEYLPNPQSA-N 1 0 229.367 3.795 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000167510968 206144998 /nfs/dbraw/zinc/14/49/98/206144998.db2.gz VZNYJWFXKOGPCE-IUDNXUCKSA-N 1 0 229.367 3.795 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000167511311 206143302 /nfs/dbraw/zinc/14/33/02/206143302.db2.gz KGZMKOBJGRRKBT-NFOMZHRRSA-N 1 0 229.367 3.795 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000167511431 206145787 /nfs/dbraw/zinc/14/57/87/206145787.db2.gz KGZMKOBJGRRKBT-WLYUNCDWSA-N 1 0 229.367 3.795 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000167511547 534350254 /nfs/dbraw/zinc/35/02/54/534350254.db2.gz CVWJXGVMZOKROO-HIFPTAJRSA-N 1 0 233.330 3.626 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000167511663 356199883 /nfs/dbraw/zinc/19/98/83/356199883.db2.gz CVWJXGVMZOKROO-PNESKVBLSA-N 1 0 233.330 3.626 20 30 BHEDRO C#CC[C@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000167530853 134004035 /nfs/dbraw/zinc/00/40/35/134004035.db2.gz LWAWRJFMJWPJPU-ZOODHJKOSA-N 1 0 247.769 3.587 20 30 BHEDRO C#CC[C@@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000167530950 356155793 /nfs/dbraw/zinc/15/57/93/356155793.db2.gz LWAWRJFMJWPJPU-NUYPLMSZSA-N 1 0 247.769 3.587 20 30 BHEDRO CCCCCCCC[NH2+]Cc1ccc(C)cn1 ZINC000167608927 633130702 /nfs/dbraw/zinc/13/07/02/633130702.db2.gz JJBSNPBNHQEUFG-UHFFFAOYSA-N 1 0 234.387 3.840 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000168045417 206147689 /nfs/dbraw/zinc/14/76/89/206147689.db2.gz NXYZYJMXTQMKHZ-NSHDSACASA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccccc1Cl ZINC000168045514 206148571 /nfs/dbraw/zinc/14/85/71/206148571.db2.gz NXYZYJMXTQMKHZ-LLVKDONJSA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000168045634 206147766 /nfs/dbraw/zinc/14/77/66/206147766.db2.gz SANGCMNNSFTFLT-NSHDSACASA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000168045729 206146813 /nfs/dbraw/zinc/14/68/13/206146813.db2.gz SANGCMNNSFTFLT-LLVKDONJSA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000168051264 206146725 /nfs/dbraw/zinc/14/67/25/206146725.db2.gz XJISLMOJKKXTPW-NSHDSACASA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000168051374 206147983 /nfs/dbraw/zinc/14/79/83/206147983.db2.gz XJISLMOJKKXTPW-LLVKDONJSA-N 1 0 223.747 3.957 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000168051799 206148474 /nfs/dbraw/zinc/14/84/74/206148474.db2.gz UENGGUHRZCHCJL-CYBMUJFWSA-N 1 0 217.356 3.866 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000168051888 386800312 /nfs/dbraw/zinc/80/03/12/386800312.db2.gz UENGGUHRZCHCJL-ZDUSSCGKSA-N 1 0 217.356 3.866 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccccc1C ZINC000168052011 206146951 /nfs/dbraw/zinc/14/69/51/206146951.db2.gz SBMHZNHDGUMKLC-CYBMUJFWSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccccc1C ZINC000168052118 206146588 /nfs/dbraw/zinc/14/65/88/206146588.db2.gz SBMHZNHDGUMKLC-ZDUSSCGKSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000168052652 206147203 /nfs/dbraw/zinc/14/72/03/206147203.db2.gz JJFVKZAMXHUFJT-CYBMUJFWSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000168052745 386803659 /nfs/dbraw/zinc/80/36/59/386803659.db2.gz JJFVKZAMXHUFJT-ZDUSSCGKSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccccc1 ZINC000168052875 134155748 /nfs/dbraw/zinc/15/57/48/134155748.db2.gz PDEKWZNSGBTMDL-AWEZNQCLSA-N 1 0 203.329 3.694 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccccc1 ZINC000168052970 134155782 /nfs/dbraw/zinc/15/57/82/134155782.db2.gz PDEKWZNSGBTMDL-CQSZACIVSA-N 1 0 203.329 3.694 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)sc1C ZINC000168053510 206147636 /nfs/dbraw/zinc/14/76/36/206147636.db2.gz PBDJDNCKSGYVAU-LLVKDONJSA-N 1 0 223.385 3.982 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000168053609 206148772 /nfs/dbraw/zinc/14/87/72/206148772.db2.gz PBDJDNCKSGYVAU-NSHDSACASA-N 1 0 223.385 3.982 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000168055163 219944743 /nfs/dbraw/zinc/94/47/43/219944743.db2.gz LIFGAFDKRUVEAM-GFCCVEGCSA-N 1 0 221.319 3.751 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000168055267 219944811 /nfs/dbraw/zinc/94/48/11/219944811.db2.gz LIFGAFDKRUVEAM-LBPRGKRZSA-N 1 0 221.319 3.751 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)C1CCCCC1 ZINC000168055599 206147709 /nfs/dbraw/zinc/14/77/09/206147709.db2.gz DAADUEOPEXEYPW-AWEZNQCLSA-N 1 0 209.377 3.901 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)C1CCCCC1 ZINC000168055720 206147099 /nfs/dbraw/zinc/14/70/99/206147099.db2.gz DAADUEOPEXEYPW-CQSZACIVSA-N 1 0 209.377 3.901 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000168055927 206147869 /nfs/dbraw/zinc/14/78/69/206147869.db2.gz YJOQZUYUDGGTLB-ZDUSSCGKSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1cccs1 ZINC000168057836 206148383 /nfs/dbraw/zinc/14/83/83/206148383.db2.gz DBUYKZNIMAPJJX-NSHDSACASA-N 1 0 209.358 3.755 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1cccs1 ZINC000168057935 206147169 /nfs/dbraw/zinc/14/71/69/206147169.db2.gz DBUYKZNIMAPJJX-LLVKDONJSA-N 1 0 209.358 3.755 20 30 BHEDRO C#CCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000168059641 640774384 /nfs/dbraw/zinc/77/43/84/640774384.db2.gz LMUYJDVWGMKKIO-UHFFFAOYSA-N 1 0 249.357 3.779 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)s1 ZINC000168061572 206148434 /nfs/dbraw/zinc/14/84/34/206148434.db2.gz JKEZCQUOIGYDEU-LLVKDONJSA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000168061672 206147447 /nfs/dbraw/zinc/14/74/47/206147447.db2.gz JKEZCQUOIGYDEU-NSHDSACASA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)oc1C ZINC000168061775 134155776 /nfs/dbraw/zinc/15/57/76/134155776.db2.gz DENONQKZOZOJLR-LLVKDONJSA-N 1 0 207.317 3.513 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000168061871 134155759 /nfs/dbraw/zinc/15/57/59/134155759.db2.gz DENONQKZOZOJLR-NSHDSACASA-N 1 0 207.317 3.513 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000168062614 206148164 /nfs/dbraw/zinc/14/81/64/206148164.db2.gz YUMKQQKTBBWCFG-KBPBESRZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000168062720 206146904 /nfs/dbraw/zinc/14/69/04/206146904.db2.gz YUMKQQKTBBWCFG-KGLIPLIRSA-N 1 0 209.377 3.757 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000168062822 206147863 /nfs/dbraw/zinc/14/78/63/206147863.db2.gz YUMKQQKTBBWCFG-UONOGXRCSA-N 1 0 209.377 3.757 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000168062933 206147486 /nfs/dbraw/zinc/14/74/86/206147486.db2.gz YUMKQQKTBBWCFG-ZIAGYGMSSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CC[N@@H+](CCCCC)Cc1ccccc1 ZINC000168259178 345723255 /nfs/dbraw/zinc/72/32/55/345723255.db2.gz BXEVOSQLADILAM-UHFFFAOYSA-N 1 0 217.356 3.865 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168270767 385332902 /nfs/dbraw/zinc/33/29/02/385332902.db2.gz IPGVWRAWELYEQU-VIFPVBQESA-N 1 0 227.710 3.533 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168270854 385333444 /nfs/dbraw/zinc/33/34/44/385333444.db2.gz IPGVWRAWELYEQU-SECBINFHSA-N 1 0 227.710 3.533 20 30 BHEDRO C=C(C[NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000168435427 384222744 /nfs/dbraw/zinc/22/27/44/384222744.db2.gz XRWSVPYGTNNUDP-HNNXBMFYSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000168435518 205503822 /nfs/dbraw/zinc/50/38/22/205503822.db2.gz XRWSVPYGTNNUDP-OAHLLOKOSA-N 1 0 229.367 3.868 20 30 BHEDRO C=CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000168503741 488155566 /nfs/dbraw/zinc/15/55/66/488155566.db2.gz OQQGHGIKNXROIT-UHFFFAOYSA-N 1 0 230.138 3.659 20 30 BHEDRO C=CCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000168506375 487512160 /nfs/dbraw/zinc/51/21/60/487512160.db2.gz DAUYLTRIDDIDBQ-UHFFFAOYSA-N 1 0 235.758 3.752 20 30 BHEDRO C=CCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000168518717 487515023 /nfs/dbraw/zinc/51/50/23/487515023.db2.gz XZRGXOROYIFDFD-UHFFFAOYSA-N 1 0 235.758 3.752 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000168522116 487515032 /nfs/dbraw/zinc/51/50/32/487515032.db2.gz LBVGHXJPCFAGLQ-JTQLQIEISA-N 1 0 232.352 3.523 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000168522210 487514999 /nfs/dbraw/zinc/51/49/99/487514999.db2.gz LBVGHXJPCFAGLQ-SNVBAGLBSA-N 1 0 232.352 3.523 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000168530085 640811616 /nfs/dbraw/zinc/81/16/16/640811616.db2.gz UVYBLVVJVWTDNZ-GFCCVEGCSA-N 1 0 237.343 3.528 20 30 BHEDRO C=CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000168530189 640810578 /nfs/dbraw/zinc/81/05/78/640810578.db2.gz UVYBLVVJVWTDNZ-LBPRGKRZSA-N 1 0 237.343 3.528 20 30 BHEDRO C=CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000168549502 487519298 /nfs/dbraw/zinc/51/92/98/487519298.db2.gz PRLJXSVAWGXVER-UHFFFAOYSA-N 1 0 230.138 3.659 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000168550874 487519339 /nfs/dbraw/zinc/51/93/39/487519339.db2.gz DBYLBRRFDGAUEZ-HNNXBMFYSA-N 1 0 215.340 3.612 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000168550959 487519245 /nfs/dbraw/zinc/51/92/45/487519245.db2.gz DBYLBRRFDGAUEZ-OAHLLOKOSA-N 1 0 215.340 3.612 20 30 BHEDRO C=CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000168555992 488158098 /nfs/dbraw/zinc/15/80/98/488158098.db2.gz UDQZEIXQPGNYOA-ONGXEEELSA-N 1 0 239.409 3.839 20 30 BHEDRO C=CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000168556088 487519281 /nfs/dbraw/zinc/51/92/81/487519281.db2.gz UDQZEIXQPGNYOA-GXSJLCMTSA-N 1 0 239.409 3.839 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(CC)s1 ZINC000168568411 487521505 /nfs/dbraw/zinc/52/15/05/487521505.db2.gz JSSLXGVJMGOHFM-SNVBAGLBSA-N 1 0 209.358 3.537 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000168568503 488158070 /nfs/dbraw/zinc/15/80/70/488158070.db2.gz JSSLXGVJMGOHFM-JTQLQIEISA-N 1 0 209.358 3.537 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000168685161 538945775 /nfs/dbraw/zinc/94/57/75/538945775.db2.gz GYNJVRYSJIIPMM-NSHDSACASA-N 1 0 245.322 3.668 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000168685253 538945822 /nfs/dbraw/zinc/94/58/22/538945822.db2.gz GYNJVRYSJIIPMM-LLVKDONJSA-N 1 0 245.322 3.668 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000168689118 384294349 /nfs/dbraw/zinc/29/43/49/384294349.db2.gz XKDXDYODAIHJTF-GFCCVEGCSA-N 1 0 229.323 3.968 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000168689219 384295251 /nfs/dbraw/zinc/29/52/51/384295251.db2.gz XKDXDYODAIHJTF-LBPRGKRZSA-N 1 0 229.323 3.968 20 30 BHEDRO CCCCCCCCC[NH+]1CCC(C)(O)CC1 ZINC000168702818 633147479 /nfs/dbraw/zinc/14/74/79/633147479.db2.gz WIRYLRSQLCNNRV-UHFFFAOYSA-N 1 0 241.419 3.584 20 30 BHEDRO CC(C)(C#N)C[NH2+]Cc1csc2ccccc12 ZINC000168926369 387370898 /nfs/dbraw/zinc/37/08/98/387370898.db2.gz CCDALEYWYWHSLW-UHFFFAOYSA-N 1 0 244.363 3.541 20 30 BHEDRO CC(C)(C)c1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000168936754 387372194 /nfs/dbraw/zinc/37/21/94/387372194.db2.gz SGWGIWWVJHHFGN-UHFFFAOYSA-N 1 0 244.382 3.623 20 30 BHEDRO CC(C)Cc1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000168938408 387372617 /nfs/dbraw/zinc/37/26/17/387372617.db2.gz NEBHLRQVHGJXKU-UHFFFAOYSA-N 1 0 244.382 3.524 20 30 BHEDRO CC(C)(C)C1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000168938895 384359638 /nfs/dbraw/zinc/35/96/38/384359638.db2.gz JQKIFSUQAMZYHE-UHFFFAOYSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(C#N)C[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000168942262 387370501 /nfs/dbraw/zinc/37/05/01/387370501.db2.gz GCORABBUYLYMOE-UHFFFAOYSA-N 1 0 236.403 3.731 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000168960156 134248964 /nfs/dbraw/zinc/24/89/64/134248964.db2.gz ILEVTJDZBRTQMD-OAHLLOKOSA-N 1 0 215.340 3.620 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCc2ccccc21 ZINC000168960253 134248939 /nfs/dbraw/zinc/24/89/39/134248939.db2.gz ILEVTJDZBRTQMD-HNNXBMFYSA-N 1 0 215.340 3.620 20 30 BHEDRO C=C(C)CC[NH2+]CC(C)(C)c1ccccc1 ZINC000168963200 487553796 /nfs/dbraw/zinc/55/37/96/487553796.db2.gz JPUSFOFWYYCMGB-UHFFFAOYSA-N 1 0 217.356 3.520 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C[C@@H]1C ZINC000168963986 384366919 /nfs/dbraw/zinc/36/69/19/384366919.db2.gz BDWCVTRGXCVFPV-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C[C@@H]1C ZINC000168964149 384367409 /nfs/dbraw/zinc/36/74/09/384367409.db2.gz BDWCVTRGXCVFPV-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC000168964336 205505818 /nfs/dbraw/zinc/50/58/18/205505818.db2.gz QCEXOTREXQCVQG-WOPDTQHZSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC000168964523 384367501 /nfs/dbraw/zinc/36/75/01/384367501.db2.gz QCEXOTREXQCVQG-GRYCIOLGSA-N 1 0 248.395 3.534 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000168974810 387805089 /nfs/dbraw/zinc/80/50/89/387805089.db2.gz NHVDXKBEMZKABM-AWEZNQCLSA-N 1 0 217.356 3.564 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000168974889 387810917 /nfs/dbraw/zinc/81/09/17/387810917.db2.gz NHVDXKBEMZKABM-CQSZACIVSA-N 1 0 217.356 3.564 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000168983749 384376281 /nfs/dbraw/zinc/37/62/81/384376281.db2.gz DVUIFBOHMGCTCF-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCc2sccc21 ZINC000168984921 134248689 /nfs/dbraw/zinc/24/86/89/134248689.db2.gz XRWGEGDIWKWJFF-GFCCVEGCSA-N 1 0 221.369 3.681 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCc2sccc21 ZINC000168984997 134248912 /nfs/dbraw/zinc/24/89/12/134248912.db2.gz XRWGEGDIWKWJFF-LBPRGKRZSA-N 1 0 221.369 3.681 20 30 BHEDRO C=C(C)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000168985681 387811268 /nfs/dbraw/zinc/81/12/68/387811268.db2.gz AXFXPGRTOZWGGE-AWEZNQCLSA-N 1 0 217.356 3.736 20 30 BHEDRO C=C(C)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000168985763 387804534 /nfs/dbraw/zinc/80/45/34/387804534.db2.gz AXFXPGRTOZWGGE-CQSZACIVSA-N 1 0 217.356 3.736 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000169010846 384387869 /nfs/dbraw/zinc/38/78/69/384387869.db2.gz YJOQZUYUDGGTLB-CYBMUJFWSA-N 1 0 203.329 3.612 20 30 BHEDRO C=CC[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000169107189 323027004 /nfs/dbraw/zinc/02/70/04/323027004.db2.gz OZFMTLKVFHXCSS-KBPBESRZSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CC[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000169107268 323026968 /nfs/dbraw/zinc/02/69/68/323026968.db2.gz OZFMTLKVFHXCSS-KGLIPLIRSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CC[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000169107362 323026958 /nfs/dbraw/zinc/02/69/58/323026958.db2.gz OZFMTLKVFHXCSS-UONOGXRCSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CC[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000169107450 323027006 /nfs/dbraw/zinc/02/70/06/323027006.db2.gz OZFMTLKVFHXCSS-ZIAGYGMSSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000169110870 534351268 /nfs/dbraw/zinc/35/12/68/534351268.db2.gz VAMJJUXVWBNYQR-LBPRGKRZSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000169110949 534887336 /nfs/dbraw/zinc/88/73/36/534887336.db2.gz VAMJJUXVWBNYQR-GFCCVEGCSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000169118495 534349173 /nfs/dbraw/zinc/34/91/73/534349173.db2.gz XWKYOPBKDLXLJS-LBPRGKRZSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000169118585 534887392 /nfs/dbraw/zinc/88/73/92/534887392.db2.gz XWKYOPBKDLXLJS-GFCCVEGCSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000169122287 219857270 /nfs/dbraw/zinc/85/72/70/219857270.db2.gz RLBUMMOUOAEOST-GARJFASQSA-N 1 0 235.293 3.662 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000169122464 205998490 /nfs/dbraw/zinc/99/84/90/205998490.db2.gz RLBUMMOUOAEOST-DCAQKATOSA-N 1 0 235.293 3.662 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000169124695 365077491 /nfs/dbraw/zinc/07/74/91/365077491.db2.gz VGXRMJCYQIVLAX-JTQLQIEISA-N 1 0 225.282 3.678 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000169124769 365077524 /nfs/dbraw/zinc/07/75/24/365077524.db2.gz VGXRMJCYQIVLAX-SNVBAGLBSA-N 1 0 225.282 3.678 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000169131828 187227038 /nfs/dbraw/zinc/22/70/38/187227038.db2.gz FTXIWGDOTGQIAS-GXSJLCMTSA-N 1 0 207.317 3.512 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000169131910 187390250 /nfs/dbraw/zinc/39/02/50/187390250.db2.gz FTXIWGDOTGQIAS-ONGXEEELSA-N 1 0 207.317 3.512 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000169131983 384424533 /nfs/dbraw/zinc/42/45/33/384424533.db2.gz FTXIWGDOTGQIAS-MWLCHTKSSA-N 1 0 207.317 3.512 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000169132052 187227197 /nfs/dbraw/zinc/22/71/97/187227197.db2.gz FTXIWGDOTGQIAS-KOLCDFICSA-N 1 0 207.317 3.512 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000169179456 636535563 /nfs/dbraw/zinc/53/55/63/636535563.db2.gz GNLIAAVZXIVAPM-CQSZACIVSA-N 1 0 237.346 3.904 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000169179771 636536676 /nfs/dbraw/zinc/53/66/76/636536676.db2.gz GNLIAAVZXIVAPM-AWEZNQCLSA-N 1 0 237.346 3.904 20 30 BHEDRO CC(C)c1cccc(NC(=[NH2+])NCC(C)(C)C)c1 ZINC000170910990 711837914 /nfs/dbraw/zinc/83/79/14/711837914.db2.gz VJCBPWKLMIUEEM-UHFFFAOYSA-N 1 0 247.386 3.583 20 30 BHEDRO CC1CCC([N@H+](CCCCC#N)C2CC2)CC1 ZINC000171033124 372260937 /nfs/dbraw/zinc/26/09/37/372260937.db2.gz NUMLHHUKYHBARN-UHFFFAOYSA-N 1 0 234.387 3.723 20 30 BHEDRO C=CC[N@@H+](CCCCC#N)Cc1ccccc1F ZINC000171033905 385464301 /nfs/dbraw/zinc/46/43/01/385464301.db2.gz NWFMEWRFNSSNHT-UHFFFAOYSA-N 1 0 246.329 3.508 20 30 BHEDRO CCC[N@H+](CCCCC#N)CC1CCCCC1 ZINC000171034079 372260859 /nfs/dbraw/zinc/26/08/59/372260859.db2.gz VJENFIUVKQJNHY-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000171128068 187390526 /nfs/dbraw/zinc/39/05/26/187390526.db2.gz ADGSXSMOUUQZHU-NSHDSACASA-N 1 0 246.379 3.865 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000171128072 187389825 /nfs/dbraw/zinc/38/98/25/187389825.db2.gz ADGSXSMOUUQZHU-LLVKDONJSA-N 1 0 246.379 3.865 20 30 BHEDRO CC(C)C[N@H+](Cc1ccc(F)cc1C#N)C(C)C ZINC000171376866 372561755 /nfs/dbraw/zinc/56/17/55/372561755.db2.gz RXJUIOSPJRIFDG-UHFFFAOYSA-N 1 0 248.345 3.564 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cccs1 ZINC000172173925 372896874 /nfs/dbraw/zinc/89/68/74/372896874.db2.gz PJJVMFBDDUMRRZ-UHFFFAOYSA-N 1 0 209.358 3.536 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172174144 365298899 /nfs/dbraw/zinc/29/88/99/365298899.db2.gz ACTLQWMPGTWXEY-LBPRGKRZSA-N 1 0 248.326 3.554 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172174146 365298884 /nfs/dbraw/zinc/29/88/84/365298884.db2.gz ACTLQWMPGTWXEY-GFCCVEGCSA-N 1 0 248.326 3.554 20 30 BHEDRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000172398485 372962474 /nfs/dbraw/zinc/96/24/74/372962474.db2.gz FIYJWMISGIPURJ-OLZOCXBDSA-N 1 0 230.355 3.597 20 30 BHEDRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000172398488 372962727 /nfs/dbraw/zinc/96/27/27/372962727.db2.gz FIYJWMISGIPURJ-STQMWFEESA-N 1 0 230.355 3.597 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000172619690 166259484 /nfs/dbraw/zinc/25/94/84/166259484.db2.gz KSMFJKUEJPMIDI-NSHDSACASA-N 1 0 246.379 3.865 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000172619692 166261831 /nfs/dbraw/zinc/26/18/31/166261831.db2.gz KSMFJKUEJPMIDI-LLVKDONJSA-N 1 0 246.379 3.865 20 30 BHEDRO CC[C@H]([NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000172620650 365353851 /nfs/dbraw/zinc/35/38/51/365353851.db2.gz VQDLQTQYOCFNNO-AWEZNQCLSA-N 1 0 234.318 3.560 20 30 BHEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000172620652 365353487 /nfs/dbraw/zinc/35/34/87/365353487.db2.gz VQDLQTQYOCFNNO-CQSZACIVSA-N 1 0 234.318 3.560 20 30 BHEDRO C=CCC[N@@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000172621397 365353590 /nfs/dbraw/zinc/35/35/90/365353590.db2.gz SPUDLMSFJMUFIR-ZDUSSCGKSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CCC[N@@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000172621401 365353554 /nfs/dbraw/zinc/35/35/54/365353554.db2.gz SPUDLMSFJMUFIR-CYBMUJFWSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000172621567 166261164 /nfs/dbraw/zinc/26/11/64/166261164.db2.gz KTDWLXUVLRIWGY-ZDUSSCGKSA-N 1 0 228.339 3.517 20 30 BHEDRO C=CCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000172621571 166261836 /nfs/dbraw/zinc/26/18/36/166261836.db2.gz KTDWLXUVLRIWGY-CYBMUJFWSA-N 1 0 228.339 3.517 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1cnc(C)s1 ZINC000172651314 641091991 /nfs/dbraw/zinc/09/19/91/641091991.db2.gz IWVSTQFIHJYBRZ-UHFFFAOYSA-N 1 0 240.416 3.854 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000172654292 188079767 /nfs/dbraw/zinc/07/97/67/188079767.db2.gz JYMPCNCLSIONLB-CQSZACIVSA-N 1 0 232.371 3.821 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000172654545 373035967 /nfs/dbraw/zinc/03/59/67/373035967.db2.gz SIGKBZGMXVZFNL-UHFFFAOYSA-N 1 0 249.402 3.642 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000172654840 192025350 /nfs/dbraw/zinc/02/53/50/192025350.db2.gz SQQZQBLNNLLYMN-AWEZNQCLSA-N 1 0 232.371 3.821 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1scnc1C ZINC000172656823 641095467 /nfs/dbraw/zinc/09/54/67/641095467.db2.gz KTETXIYGPQSFEU-UHFFFAOYSA-N 1 0 240.416 3.854 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccccc1C#N ZINC000172671391 388410721 /nfs/dbraw/zinc/41/07/21/388410721.db2.gz WYVHCWBWUHESKJ-UHFFFAOYSA-N 1 0 230.355 3.617 20 30 BHEDRO CSc1ccc([C@H](C)[NH2+]CCCCC#N)cc1 ZINC000173382618 384677783 /nfs/dbraw/zinc/67/77/83/384677783.db2.gz XVALSPGSKKXLEA-LBPRGKRZSA-N 1 0 248.395 3.753 20 30 BHEDRO CSc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1 ZINC000173382631 134891241 /nfs/dbraw/zinc/89/12/41/134891241.db2.gz XVALSPGSKKXLEA-GFCCVEGCSA-N 1 0 248.395 3.753 20 30 BHEDRO CCCCCCC[NH2+]C(C)(C)c1nccs1 ZINC000173416480 641175683 /nfs/dbraw/zinc/17/56/83/641175683.db2.gz KYFWFLIOGVTLJD-UHFFFAOYSA-N 1 0 240.416 3.938 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000173451749 636559139 /nfs/dbraw/zinc/55/91/39/636559139.db2.gz DPGWWNIGTYJXFX-AWEZNQCLSA-N 1 0 235.758 3.794 20 30 BHEDRO C#CCCC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000173451762 641177331 /nfs/dbraw/zinc/17/73/31/641177331.db2.gz DPGWWNIGTYJXFX-CQSZACIVSA-N 1 0 235.758 3.794 20 30 BHEDRO C=CC[N@@H+](Cc1cccs1)CC1CCC1 ZINC000173460465 384221364 /nfs/dbraw/zinc/22/13/64/384221364.db2.gz SOUDXPFCNQJQGO-UHFFFAOYSA-N 1 0 221.369 3.536 20 30 BHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1CCC1 ZINC000173526082 384225416 /nfs/dbraw/zinc/22/54/16/384225416.db2.gz HJDGBOWNBMIAAQ-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)CCN(CCC#N)Cc1ccccc1F ZINC000173537991 134275364 /nfs/dbraw/zinc/27/53/64/134275364.db2.gz UQIFVBCPXQZMTO-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO CC(C)CCN(CCC#N)Cc1ccc(F)cc1 ZINC000173539425 134275554 /nfs/dbraw/zinc/27/55/54/134275554.db2.gz VTMIYNGHMCQZBB-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO CC(C)CCN(CCC#N)Cc1cccc(F)c1 ZINC000173540986 134275477 /nfs/dbraw/zinc/27/54/77/134275477.db2.gz UHDVIRLMVSFRPK-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO CC[N@H+](CC1CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000173561984 388424992 /nfs/dbraw/zinc/42/49/92/388424992.db2.gz NOZIXHCIXQYLHP-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[N@H+](CC1CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000173561999 388424949 /nfs/dbraw/zinc/42/49/49/388424949.db2.gz NOZIXHCIXQYLHP-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO CC(C)[N@@H+](Cc1cccc(C#N)c1)CC1CCC1 ZINC000173583854 388425728 /nfs/dbraw/zinc/42/57/28/388425728.db2.gz FDKDRXUTOXGGEH-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1CCC1 ZINC000173583936 388425709 /nfs/dbraw/zinc/42/57/09/388425709.db2.gz MNLXRTKENHMUJG-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCCC#N ZINC000173704877 535510432 /nfs/dbraw/zinc/51/04/32/535510432.db2.gz SHCASLORTXTFAE-ZIAGYGMSSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCCC#N ZINC000173704891 134276335 /nfs/dbraw/zinc/27/63/35/134276335.db2.gz SHCASLORTXTFAE-KGLIPLIRSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCCC#N ZINC000173704905 535507333 /nfs/dbraw/zinc/50/73/33/535507333.db2.gz SHCASLORTXTFAE-UONOGXRCSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCCC#N ZINC000173704920 134276755 /nfs/dbraw/zinc/27/67/55/134276755.db2.gz SHCASLORTXTFAE-KBPBESRZSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CCCC[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000173947680 166243065 /nfs/dbraw/zinc/24/30/65/166243065.db2.gz QZPAZSMPUVVKRG-ZDUSSCGKSA-N 1 0 238.400 3.633 20 30 BHEDRO C=CCCC[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000173947695 166243141 /nfs/dbraw/zinc/24/31/41/166243141.db2.gz QZPAZSMPUVVKRG-CYBMUJFWSA-N 1 0 238.400 3.633 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000173959962 384291442 /nfs/dbraw/zinc/29/14/42/384291442.db2.gz HYUJUXHDUHPZSY-UHFFFAOYSA-N 1 0 238.400 3.551 20 30 BHEDRO Cc1ccc(C(C)(C)C[N@H+](C)CCCC#N)cc1 ZINC000173963286 711788669 /nfs/dbraw/zinc/78/86/69/711788669.db2.gz PGBDAOHYUXKCAO-UHFFFAOYSA-N 1 0 244.382 3.508 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000174035201 384294831 /nfs/dbraw/zinc/29/48/31/384294831.db2.gz YMNUYZSPGMHZKI-AWEZNQCLSA-N 1 0 247.382 3.524 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000174035219 384295178 /nfs/dbraw/zinc/29/51/78/384295178.db2.gz YMNUYZSPGMHZKI-CQSZACIVSA-N 1 0 247.382 3.524 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000174142611 363056936 /nfs/dbraw/zinc/05/69/36/363056936.db2.gz ATAWRZNFHZOLOJ-AWEZNQCLSA-N 1 0 247.407 3.677 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000174142624 363056992 /nfs/dbraw/zinc/05/69/92/363056992.db2.gz ATAWRZNFHZOLOJ-CQSZACIVSA-N 1 0 247.407 3.677 20 30 BHEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1F ZINC000174252626 384769394 /nfs/dbraw/zinc/76/93/94/384769394.db2.gz WELOOQFFPYMITR-UHFFFAOYSA-N 1 0 248.345 3.554 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CCCC1CCCC1 ZINC000174254217 384312377 /nfs/dbraw/zinc/31/23/77/384312377.db2.gz WAJKQUFPRKOFEP-UHFFFAOYSA-N 1 0 236.403 3.876 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000174273656 641268690 /nfs/dbraw/zinc/26/86/90/641268690.db2.gz XHYXZPVSTIUFBA-JTQLQIEISA-N 1 0 239.721 3.543 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000174273666 641267245 /nfs/dbraw/zinc/26/72/45/641267245.db2.gz XHYXZPVSTIUFBA-SNVBAGLBSA-N 1 0 239.721 3.543 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000174274078 641268726 /nfs/dbraw/zinc/26/87/26/641268726.db2.gz LHDUKUGZNZIXKV-AWEZNQCLSA-N 1 0 235.758 3.794 20 30 BHEDRO C#CCCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000174274093 641267160 /nfs/dbraw/zinc/26/71/60/641267160.db2.gz LHDUKUGZNZIXKV-CQSZACIVSA-N 1 0 235.758 3.794 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000174274248 641267462 /nfs/dbraw/zinc/26/74/62/641267462.db2.gz XQFJOTIZJUPPKO-AWEZNQCLSA-N 1 0 237.346 3.904 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000174274261 641268425 /nfs/dbraw/zinc/26/84/25/641268425.db2.gz XQFJOTIZJUPPKO-CQSZACIVSA-N 1 0 237.346 3.904 20 30 BHEDRO C[C@@H]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174301552 384315026 /nfs/dbraw/zinc/31/50/26/384315026.db2.gz FDDYDJFWBGIHHR-KGLIPLIRSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@H]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174301580 384313546 /nfs/dbraw/zinc/31/35/46/384313546.db2.gz FDDYDJFWBGIHHR-KBPBESRZSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@@H]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174301593 384313086 /nfs/dbraw/zinc/31/30/86/384313086.db2.gz FDDYDJFWBGIHHR-ZIAGYGMSSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174301606 205555369 /nfs/dbraw/zinc/55/53/69/205555369.db2.gz FDDYDJFWBGIHHR-UONOGXRCSA-N 1 0 236.403 3.732 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000174343575 374184620 /nfs/dbraw/zinc/18/46/20/374184620.db2.gz BIKRBIGMNPXXFN-DOMZBBRYSA-N 1 0 246.354 3.600 20 30 BHEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000174343590 374183771 /nfs/dbraw/zinc/18/37/71/374183771.db2.gz BIKRBIGMNPXXFN-WFASDCNBSA-N 1 0 246.354 3.600 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000174343603 374184346 /nfs/dbraw/zinc/18/43/46/374184346.db2.gz BIKRBIGMNPXXFN-IUODEOHRSA-N 1 0 246.354 3.600 20 30 BHEDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000174343613 374183429 /nfs/dbraw/zinc/18/34/29/374183429.db2.gz BIKRBIGMNPXXFN-SWLSCSKDSA-N 1 0 246.354 3.600 20 30 BHEDRO CC(C)(C)C1CCC([NH2+]CCCCC#N)CC1 ZINC000174347755 346881154 /nfs/dbraw/zinc/88/11/54/346881154.db2.gz AYQKRCFLNOCMEB-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C/C=C/c1ccccc1 ZINC000174384596 365483777 /nfs/dbraw/zinc/48/37/77/365483777.db2.gz TVXAHBBUASFPTO-UXBLZVDNSA-N 1 0 242.366 3.619 20 30 BHEDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCC#N)o1 ZINC000174435522 384790804 /nfs/dbraw/zinc/79/08/04/384790804.db2.gz MONDSDATBVGZMG-OCCSQVGLSA-N 1 0 246.354 3.665 20 30 BHEDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCC#N)o1 ZINC000174435537 384789800 /nfs/dbraw/zinc/78/98/00/384789800.db2.gz MONDSDATBVGZMG-TZMCWYRMSA-N 1 0 246.354 3.665 20 30 BHEDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCCC#N)o1 ZINC000174435551 384790663 /nfs/dbraw/zinc/79/06/63/384790663.db2.gz MONDSDATBVGZMG-JSGCOSHPSA-N 1 0 246.354 3.665 20 30 BHEDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCC#N)o1 ZINC000174435563 384790643 /nfs/dbraw/zinc/79/06/43/384790643.db2.gz MONDSDATBVGZMG-GXTWGEPZSA-N 1 0 246.354 3.665 20 30 BHEDRO N#Cc1ccc(C[NH2+]CCCCC2CCCC2)o1 ZINC000174644824 374250153 /nfs/dbraw/zinc/25/01/53/374250153.db2.gz OQOSCNMFQQJCHO-UHFFFAOYSA-N 1 0 246.354 3.601 20 30 BHEDRO CC(C)(C#N)CCC[N@H+](C1CC1)C1CCCC1 ZINC000174817918 365513917 /nfs/dbraw/zinc/51/39/17/365513917.db2.gz AUESPIJWTFYPFX-UHFFFAOYSA-N 1 0 234.387 3.723 20 30 BHEDRO C[C@@H](C1CC1)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000174818518 134283763 /nfs/dbraw/zinc/28/37/63/134283763.db2.gz LRVWEYJCCFGXFV-LBPRGKRZSA-N 1 0 234.387 3.579 20 30 BHEDRO C[C@H](C1CC1)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000174818526 134283717 /nfs/dbraw/zinc/28/37/17/134283717.db2.gz LRVWEYJCCFGXFV-GFCCVEGCSA-N 1 0 234.387 3.579 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000174847351 205562923 /nfs/dbraw/zinc/56/29/23/205562923.db2.gz CGIALLJGSUNRTL-HNNXBMFYSA-N 1 0 215.340 3.694 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000174847363 384373042 /nfs/dbraw/zinc/37/30/42/384373042.db2.gz CGIALLJGSUNRTL-OAHLLOKOSA-N 1 0 215.340 3.694 20 30 BHEDRO CC(C)(C)C[N@@H+](CCC#N)CCCC(C)(C)C#N ZINC000174856645 384371750 /nfs/dbraw/zinc/37/17/50/384371750.db2.gz KTWMONVJDQFAAW-UHFFFAOYSA-N 1 0 249.402 3.578 20 30 BHEDRO CC[N@H+](CCCC(C)(C)C#N)[C@@H](C)C(C)C ZINC000174863762 384375743 /nfs/dbraw/zinc/37/57/43/384375743.db2.gz USZZIXFEMQVHAM-ZDUSSCGKSA-N 1 0 224.392 3.683 20 30 BHEDRO CC[N@H+](CCCC(C)(C)C#N)[C@H](C)C(C)C ZINC000174863774 384376282 /nfs/dbraw/zinc/37/62/82/384376282.db2.gz USZZIXFEMQVHAM-CYBMUJFWSA-N 1 0 224.392 3.683 20 30 BHEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCC(C)(C)C#N ZINC000174866550 533755497 /nfs/dbraw/zinc/75/54/97/533755497.db2.gz CYILJEQVXVKZEV-ILXRZTDVSA-N 1 0 248.414 3.969 20 30 BHEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCC(C)(C)C#N ZINC000174866571 534056653 /nfs/dbraw/zinc/05/66/53/534056653.db2.gz CYILJEQVXVKZEV-KFWWJZLASA-N 1 0 248.414 3.969 20 30 BHEDRO CC(C)[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000174867149 528649407 /nfs/dbraw/zinc/64/94/07/528649407.db2.gz YWMBGXBGOPSAQR-AWEZNQCLSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000174867158 527760404 /nfs/dbraw/zinc/76/04/04/527760404.db2.gz YWMBGXBGOPSAQR-CQSZACIVSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCCC(C)(C)C#N ZINC000174871601 527128491 /nfs/dbraw/zinc/12/84/91/527128491.db2.gz WAPBPYGISFZFNZ-UHFFFAOYSA-N 1 0 236.403 3.995 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000174874165 533825937 /nfs/dbraw/zinc/82/59/37/533825937.db2.gz VACZUMXOOQVGAP-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CCC[C@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000174874175 229396952 /nfs/dbraw/zinc/39/69/52/229396952.db2.gz VACZUMXOOQVGAP-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000174874186 533732237 /nfs/dbraw/zinc/73/22/37/533732237.db2.gz VACZUMXOOQVGAP-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000174874199 533823081 /nfs/dbraw/zinc/82/30/81/533823081.db2.gz VACZUMXOOQVGAP-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000174875800 534980629 /nfs/dbraw/zinc/98/06/29/534980629.db2.gz JEHLEFFYLGMKOZ-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO CC(C)CC[N@@H+](CCC#N)CCCC(C)(C)C#N ZINC000174876121 527715862 /nfs/dbraw/zinc/71/58/62/527715862.db2.gz OUCYBXLSEWFSAX-UHFFFAOYSA-N 1 0 249.402 3.578 20 30 BHEDRO CC(C)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174876609 384374428 /nfs/dbraw/zinc/37/44/28/384374428.db2.gz ZIWUCZYXVMRLOY-UHFFFAOYSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[C@]1(C)CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174879467 529395351 /nfs/dbraw/zinc/39/53/51/529395351.db2.gz VNGQJUWPNMGMSQ-OAHLLOKOSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[C@@]1(C)CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174879481 529523910 /nfs/dbraw/zinc/52/39/10/529523910.db2.gz VNGQJUWPNMGMSQ-HNNXBMFYSA-N 1 0 236.403 3.828 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC2(CCCC2)C1 ZINC000174880141 534980394 /nfs/dbraw/zinc/98/03/94/534980394.db2.gz ZDRGRCVZQTZRMU-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174883117 528389264 /nfs/dbraw/zinc/38/92/64/528389264.db2.gz CKUWQJPCWIFNRX-AWEZNQCLSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174883132 528595779 /nfs/dbraw/zinc/59/57/79/528595779.db2.gz CKUWQJPCWIFNRX-CQSZACIVSA-N 1 0 236.403 3.684 20 30 BHEDRO C#CCCC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000174978793 642642282 /nfs/dbraw/zinc/64/22/82/642642282.db2.gz RMTFOFWLDXGWMR-UHFFFAOYSA-N 1 0 241.334 3.553 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@@H]1c1cccc(F)c1 ZINC000175152523 384871262 /nfs/dbraw/zinc/87/12/62/384871262.db2.gz ZVDYTLNCOAKRIB-DOMZBBRYSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H]1CC[N@H+](CCCC#N)[C@@H]1c1cccc(F)c1 ZINC000175152542 384871690 /nfs/dbraw/zinc/87/16/90/384871690.db2.gz ZVDYTLNCOAKRIB-WFASDCNBSA-N 1 0 246.329 3.512 20 30 BHEDRO C[N@H+](CCCCC#N)Cc1cc2ccccc2o1 ZINC000175184584 384880282 /nfs/dbraw/zinc/88/02/82/384880282.db2.gz DVZBQFFMWPOREZ-UHFFFAOYSA-N 1 0 242.322 3.558 20 30 BHEDRO C=CC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000175665049 384475865 /nfs/dbraw/zinc/47/58/65/384475865.db2.gz JMXOMVSWSFPRDN-ZDUSSCGKSA-N 1 0 245.366 3.654 20 30 BHEDRO C=CC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000175665069 384477036 /nfs/dbraw/zinc/47/70/36/384477036.db2.gz JMXOMVSWSFPRDN-CYBMUJFWSA-N 1 0 245.366 3.654 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000176426539 533506295 /nfs/dbraw/zinc/50/62/95/533506295.db2.gz QOECVQZPVJCFHP-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000176449458 365763397 /nfs/dbraw/zinc/76/33/97/365763397.db2.gz MTJWKJFVWGUPHK-LBPRGKRZSA-N 1 0 223.385 3.577 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000176449473 365763466 /nfs/dbraw/zinc/76/34/66/365763466.db2.gz MTJWKJFVWGUPHK-GFCCVEGCSA-N 1 0 223.385 3.577 20 30 BHEDRO CC(C)Cc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000176494646 134901431 /nfs/dbraw/zinc/90/14/31/134901431.db2.gz DXCSAIZSRGWJMS-UHFFFAOYSA-N 1 0 244.382 3.669 20 30 BHEDRO CC(C)C[N@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000176808044 384780809 /nfs/dbraw/zinc/78/08/09/384780809.db2.gz IYPFECWCCSHFCO-UHFFFAOYSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[C@@H](C)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000176931614 535511188 /nfs/dbraw/zinc/51/11/88/535511188.db2.gz BYVQJZSYFKQMMW-CYBMUJFWSA-N 1 0 242.366 3.569 20 30 BHEDRO CC[C@H](C)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000176931628 134294877 /nfs/dbraw/zinc/29/48/77/134294877.db2.gz BYVQJZSYFKQMMW-ZDUSSCGKSA-N 1 0 242.366 3.569 20 30 BHEDRO N#Cc1ccc(C[NH2+]CCCC2CCCC2)s1 ZINC000176944297 384827160 /nfs/dbraw/zinc/82/71/60/384827160.db2.gz VWGIFSBMEKTALK-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176954558 384819868 /nfs/dbraw/zinc/81/98/68/384819868.db2.gz TYLHIMIFIMFLEG-NEPJUHHUSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176954571 385183158 /nfs/dbraw/zinc/18/31/58/385183158.db2.gz TYLHIMIFIMFLEG-RYUDHWBXSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176954586 384820055 /nfs/dbraw/zinc/82/00/55/384820055.db2.gz TYLHIMIFIMFLEG-VXGBXAGGSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176954600 384820080 /nfs/dbraw/zinc/82/00/80/384820080.db2.gz TYLHIMIFIMFLEG-NWDGAFQWSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C#N)s1 ZINC000176956479 365939601 /nfs/dbraw/zinc/93/96/01/365939601.db2.gz GCOFMLMCSKHSLQ-QWRGUYRKSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C#N)s1 ZINC000176956493 344525173 /nfs/dbraw/zinc/52/51/73/344525173.db2.gz GCOFMLMCSKHSLQ-GHMZBOCLSA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)C1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000176960524 385183565 /nfs/dbraw/zinc/18/35/65/385183565.db2.gz MKUUAXOEIOPCNZ-ZDUSSCGKSA-N 1 0 242.366 3.645 20 30 BHEDRO CC(C)C1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000176960534 384823780 /nfs/dbraw/zinc/82/37/80/384823780.db2.gz MKUUAXOEIOPCNZ-CYBMUJFWSA-N 1 0 242.366 3.645 20 30 BHEDRO CC1CCC(C)([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176967316 365945436 /nfs/dbraw/zinc/94/54/36/365945436.db2.gz NOZSXLCYNFXSRZ-UHFFFAOYSA-N 1 0 248.395 3.678 20 30 BHEDRO CCCC[C@@H](CCC)[NH2+]Cc1ccc(C#N)o1 ZINC000176991016 384837061 /nfs/dbraw/zinc/83/70/61/384837061.db2.gz FYLPCLJPNRHRCF-GFCCVEGCSA-N 1 0 234.343 3.600 20 30 BHEDRO CCCC[C@H](CCC)[NH2+]Cc1ccc(C#N)o1 ZINC000176991027 384835725 /nfs/dbraw/zinc/83/57/25/384835725.db2.gz FYLPCLJPNRHRCF-LBPRGKRZSA-N 1 0 234.343 3.600 20 30 BHEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000176995312 384837608 /nfs/dbraw/zinc/83/76/08/384837608.db2.gz QYGGMICFHKDWSW-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO CC(C)[N@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000177016968 384845691 /nfs/dbraw/zinc/84/56/91/384845691.db2.gz HBTGZPJXYXRLSW-UHFFFAOYSA-N 1 0 247.769 3.564 20 30 BHEDRO N#CCCCC[NH2+]Cc1cc2ccccc2s1 ZINC000177112749 136216747 /nfs/dbraw/zinc/21/67/47/136216747.db2.gz ZVFQPUYTUSNJAD-UHFFFAOYSA-N 1 0 244.363 3.685 20 30 BHEDRO N#CCCCN(CC1CCC1)c1ccccc1 ZINC000177181079 134296124 /nfs/dbraw/zinc/29/61/24/134296124.db2.gz QCUFLZMULLYZTQ-UHFFFAOYSA-N 1 0 228.339 3.597 20 30 BHEDRO CC(C)C[N@H+](Cc1cc(F)ccc1C#N)C(C)C ZINC000177264124 346595688 /nfs/dbraw/zinc/59/56/88/346595688.db2.gz HHXWQNTYJMNVKT-UHFFFAOYSA-N 1 0 248.345 3.564 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000177267250 187227813 /nfs/dbraw/zinc/22/78/13/187227813.db2.gz JTXNVJRQBLQZHS-AWEZNQCLSA-N 1 0 232.371 3.821 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000177267269 187228112 /nfs/dbraw/zinc/22/81/12/187228112.db2.gz JTXNVJRQBLQZHS-CQSZACIVSA-N 1 0 232.371 3.821 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000177446237 134298149 /nfs/dbraw/zinc/29/81/49/134298149.db2.gz ZBWMCBOCNFRQEG-INIZCTEOSA-N 1 0 242.366 3.738 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000177446252 134298006 /nfs/dbraw/zinc/29/80/06/134298006.db2.gz ZBWMCBOCNFRQEG-MRXNPFEDSA-N 1 0 242.366 3.738 20 30 BHEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCCC#N ZINC000177544716 134298810 /nfs/dbraw/zinc/29/88/10/134298810.db2.gz HYIRPKWVXJFYMM-GDBMZVCRSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCCC#N ZINC000177544726 134298798 /nfs/dbraw/zinc/29/87/98/134298798.db2.gz HYIRPKWVXJFYMM-GOEBONIOSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCCC#N ZINC000177544737 346932005 /nfs/dbraw/zinc/93/20/05/346932005.db2.gz HYIRPKWVXJFYMM-ZBFHGGJFSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCCC#N ZINC000177544753 134299021 /nfs/dbraw/zinc/29/90/21/134299021.db2.gz HYIRPKWVXJFYMM-HOCLYGCPSA-N 1 0 242.366 3.558 20 30 BHEDRO CC(C)CC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000177596871 366011158 /nfs/dbraw/zinc/01/11/58/366011158.db2.gz UYYGEQRCHIRHJZ-UHFFFAOYSA-N 1 0 238.419 3.978 20 30 BHEDRO N#Cc1csc(C[NH2+]CCCC2CCCC2)c1 ZINC000177683004 385089597 /nfs/dbraw/zinc/08/95/97/385089597.db2.gz RYUOMAJJTBWIKB-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177689743 385080605 /nfs/dbraw/zinc/08/06/05/385080605.db2.gz SIWZREBZBRHLFI-NEPJUHHUSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177689756 385081944 /nfs/dbraw/zinc/08/19/44/385081944.db2.gz SIWZREBZBRHLFI-RYUDHWBXSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177689768 385081116 /nfs/dbraw/zinc/08/11/16/385081116.db2.gz SIWZREBZBRHLFI-VXGBXAGGSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177689778 385082414 /nfs/dbraw/zinc/08/24/14/385082414.db2.gz SIWZREBZBRHLFI-NWDGAFQWSA-N 1 0 248.395 3.536 20 30 BHEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cc(C#N)cs1 ZINC000177691205 366019667 /nfs/dbraw/zinc/01/96/67/366019667.db2.gz JPAJXTAFCFVNAU-QWRGUYRKSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cc(C#N)cs1 ZINC000177691219 366020267 /nfs/dbraw/zinc/02/02/67/366020267.db2.gz JPAJXTAFCFVNAU-GHMZBOCLSA-N 1 0 248.395 3.534 20 30 BHEDRO CC1CCC(C)([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177698739 366021614 /nfs/dbraw/zinc/02/16/14/366021614.db2.gz PVCOZZMSFHRNOR-UHFFFAOYSA-N 1 0 248.395 3.678 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000177860092 385168382 /nfs/dbraw/zinc/16/83/82/385168382.db2.gz YIBGIBJFOOIOMA-AWEZNQCLSA-N 1 0 246.329 3.532 20 30 BHEDRO C#CCCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000178052475 632932262 /nfs/dbraw/zinc/93/22/62/632932262.db2.gz RJBFLNNDFBBEIL-HNNXBMFYSA-N 1 0 215.340 3.531 20 30 BHEDRO C#CCCC[NH2+][C@H](CCC)c1ccccc1 ZINC000178052490 632933167 /nfs/dbraw/zinc/93/31/67/632933167.db2.gz RJBFLNNDFBBEIL-OAHLLOKOSA-N 1 0 215.340 3.531 20 30 BHEDRO C#CCCC[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000178053766 631219889 /nfs/dbraw/zinc/21/98/89/631219889.db2.gz JZQLKUOQPGEJDD-INIZCTEOSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCC[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000178053782 632935494 /nfs/dbraw/zinc/93/54/94/632935494.db2.gz JZQLKUOQPGEJDD-MRXNPFEDSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000178054624 632935615 /nfs/dbraw/zinc/93/56/15/632935615.db2.gz PFGOLWVHOOZXMV-UHFFFAOYSA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000178054872 632935914 /nfs/dbraw/zinc/93/59/14/632935914.db2.gz JVOYWCOBOAIXDP-CYBMUJFWSA-N 1 0 241.334 3.805 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000178054887 632935756 /nfs/dbraw/zinc/93/57/56/632935756.db2.gz JVOYWCOBOAIXDP-ZDUSSCGKSA-N 1 0 241.334 3.805 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000178055033 632935918 /nfs/dbraw/zinc/93/59/18/632935918.db2.gz DVUIMFZMXINPCY-JTQLQIEISA-N 1 0 239.721 3.543 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000178055051 632935183 /nfs/dbraw/zinc/93/51/83/632935183.db2.gz DVUIMFZMXINPCY-SNVBAGLBSA-N 1 0 239.721 3.543 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccccc1SCC ZINC000178055819 632935594 /nfs/dbraw/zinc/93/55/94/632935594.db2.gz IMOHTYWCZDRRBX-CYBMUJFWSA-N 1 0 247.407 3.863 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccccc1SCC ZINC000178055837 631224733 /nfs/dbraw/zinc/22/47/33/631224733.db2.gz IMOHTYWCZDRRBX-ZDUSSCGKSA-N 1 0 247.407 3.863 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000178058667 632935800 /nfs/dbraw/zinc/93/58/00/632935800.db2.gz TZZGRQHIDBGKOR-ZDUSSCGKSA-N 1 0 235.396 3.838 20 30 BHEDRO C#CCCC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000178058679 632935579 /nfs/dbraw/zinc/93/55/79/632935579.db2.gz TZZGRQHIDBGKOR-CYBMUJFWSA-N 1 0 235.396 3.838 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000178059141 166133394 /nfs/dbraw/zinc/13/33/94/166133394.db2.gz GWFZTGWGLUQFPU-CQSZACIVSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000178059156 166133429 /nfs/dbraw/zinc/13/34/29/166133429.db2.gz GWFZTGWGLUQFPU-AWEZNQCLSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000178059255 711674531 /nfs/dbraw/zinc/67/45/31/711674531.db2.gz GBVOPKWATWZANQ-BBRMVZONSA-N 1 0 227.351 3.628 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000178059265 711674587 /nfs/dbraw/zinc/67/45/87/711674587.db2.gz GBVOPKWATWZANQ-CZUORRHYSA-N 1 0 227.351 3.628 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000178059276 711674583 /nfs/dbraw/zinc/67/45/83/711674583.db2.gz GBVOPKWATWZANQ-XJKSGUPXSA-N 1 0 227.351 3.628 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000178061469 644531476 /nfs/dbraw/zinc/53/14/76/644531476.db2.gz ZKRDBUZBOKZQBT-JTQLQIEISA-N 1 0 241.787 3.856 20 30 BHEDRO C#CCCC[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000178061481 711674572 /nfs/dbraw/zinc/67/45/72/711674572.db2.gz ZKRDBUZBOKZQBT-SNVBAGLBSA-N 1 0 241.787 3.856 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000178062139 711674383 /nfs/dbraw/zinc/67/43/83/711674383.db2.gz AHUPYDUDCXZCQG-CQSZACIVSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000178062155 711674495 /nfs/dbraw/zinc/67/44/95/711674495.db2.gz AHUPYDUDCXZCQG-AWEZNQCLSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000178167979 632963137 /nfs/dbraw/zinc/96/31/37/632963137.db2.gz DKHAGZMKFPIVKG-UHFFFAOYSA-N 1 0 235.396 3.549 20 30 BHEDRO C=CC[N@@H+](CCCF)Cc1ccc(Cl)s1 ZINC000178256803 388497256 /nfs/dbraw/zinc/49/72/56/388497256.db2.gz OGQAMAUQDNSAHF-UHFFFAOYSA-N 1 0 247.766 3.749 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000178373411 388499961 /nfs/dbraw/zinc/49/99/61/388499961.db2.gz OTXQXPZSCAFDBS-ZDUSSCGKSA-N 1 0 233.355 3.741 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178373424 388499850 /nfs/dbraw/zinc/49/98/50/388499850.db2.gz OTXQXPZSCAFDBS-CYBMUJFWSA-N 1 0 233.355 3.741 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCSC(F)(F)F ZINC000178419424 634505125 /nfs/dbraw/zinc/50/51/25/634505125.db2.gz ILWLCRWCULBLQO-VIFPVBQESA-N 1 0 241.322 3.574 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCSC(F)(F)F ZINC000178419436 634503439 /nfs/dbraw/zinc/50/34/39/634503439.db2.gz ILWLCRWCULBLQO-SECBINFHSA-N 1 0 241.322 3.574 20 30 BHEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCCCC#N)c1 ZINC000178640248 346960883 /nfs/dbraw/zinc/96/08/83/346960883.db2.gz JUSXOPUJVGJZRE-CQSZACIVSA-N 1 0 230.355 3.648 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+]CCCCC#N)c1 ZINC000178640271 134908015 /nfs/dbraw/zinc/90/80/15/134908015.db2.gz JUSXOPUJVGJZRE-AWEZNQCLSA-N 1 0 230.355 3.648 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000178642510 527823916 /nfs/dbraw/zinc/82/39/16/527823916.db2.gz HIBLLOCTAGPJTG-GJZGRUSLSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000178642523 388502913 /nfs/dbraw/zinc/50/29/13/388502913.db2.gz HIBLLOCTAGPJTG-CABCVRRESA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000178642532 388502452 /nfs/dbraw/zinc/50/24/52/388502452.db2.gz HIBLLOCTAGPJTG-LSDHHAIUSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000178642544 388502874 /nfs/dbraw/zinc/50/28/74/388502874.db2.gz HIBLLOCTAGPJTG-HUUCEWRRSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1ccc2c(c1)CCC2 ZINC000178642960 346961480 /nfs/dbraw/zinc/96/14/80/346961480.db2.gz IZQWYEPBPAQIJU-ZDUSSCGKSA-N 1 0 242.366 3.520 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc2c(c1)CCC2 ZINC000178642967 346961484 /nfs/dbraw/zinc/96/14/84/346961484.db2.gz IZQWYEPBPAQIJU-CYBMUJFWSA-N 1 0 242.366 3.520 20 30 BHEDRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCCC#N ZINC000178643600 134312539 /nfs/dbraw/zinc/31/25/39/134312539.db2.gz VZSFQBCDDGJOAU-INIZCTEOSA-N 1 0 244.382 3.600 20 30 BHEDRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCCC#N ZINC000178643614 134312463 /nfs/dbraw/zinc/31/24/63/134312463.db2.gz VZSFQBCDDGJOAU-MRXNPFEDSA-N 1 0 244.382 3.600 20 30 BHEDRO CC1(C)Cc2occc2[C@H]([NH2+]CCCCC#N)C1 ZINC000178643630 346961494 /nfs/dbraw/zinc/96/14/94/346961494.db2.gz NUDQWTGCATVBNX-CYBMUJFWSA-N 1 0 246.354 3.577 20 30 BHEDRO CC1(C)Cc2occc2[C@@H]([NH2+]CCCCC#N)C1 ZINC000178643642 346961646 /nfs/dbraw/zinc/96/16/46/346961646.db2.gz NUDQWTGCATVBNX-ZDUSSCGKSA-N 1 0 246.354 3.577 20 30 BHEDRO CCC[C@@H](Cc1ccccc1)[NH2+]CCCCC#N ZINC000178643987 134908307 /nfs/dbraw/zinc/90/83/07/134908307.db2.gz NTFFRVSKKKVLPJ-INIZCTEOSA-N 1 0 244.382 3.681 20 30 BHEDRO CCC[C@H](Cc1ccccc1)[NH2+]CCCCC#N ZINC000178644000 134908202 /nfs/dbraw/zinc/90/82/02/134908202.db2.gz NTFFRVSKKKVLPJ-MRXNPFEDSA-N 1 0 244.382 3.681 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1C ZINC000178644043 346961603 /nfs/dbraw/zinc/96/16/03/346961603.db2.gz SHRASGZEFQZXLA-CQSZACIVSA-N 1 0 230.355 3.648 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CCCCC#N)cc1C ZINC000178644054 346961308 /nfs/dbraw/zinc/96/13/08/346961308.db2.gz SHRASGZEFQZXLA-AWEZNQCLSA-N 1 0 230.355 3.648 20 30 BHEDRO CCCc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1 ZINC000178644400 134908282 /nfs/dbraw/zinc/90/82/82/134908282.db2.gz ALVWJILDOCFSCA-CQSZACIVSA-N 1 0 244.382 3.984 20 30 BHEDRO CCCc1ccc([C@H](C)[NH2+]CCCCC#N)cc1 ZINC000178644411 134908217 /nfs/dbraw/zinc/90/82/17/134908217.db2.gz ALVWJILDOCFSCA-AWEZNQCLSA-N 1 0 244.382 3.984 20 30 BHEDRO CCc1ccc([C@@H](CC)[NH2+]CCCCC#N)cc1 ZINC000178644588 346961289 /nfs/dbraw/zinc/96/12/89/346961289.db2.gz RAGKJINJPSBJHW-MRXNPFEDSA-N 1 0 244.382 3.984 20 30 BHEDRO CCc1ccc([C@H](CC)[NH2+]CCCCC#N)cc1 ZINC000178644599 134907888 /nfs/dbraw/zinc/90/78/88/134907888.db2.gz RAGKJINJPSBJHW-INIZCTEOSA-N 1 0 244.382 3.984 20 30 BHEDRO Cc1cccc(CC[C@@H](C)[NH2+]CCCCC#N)c1 ZINC000178644696 346961560 /nfs/dbraw/zinc/96/15/60/346961560.db2.gz PDTITXUKPGOMOO-OAHLLOKOSA-N 1 0 244.382 3.600 20 30 BHEDRO Cc1cccc(CC[C@H](C)[NH2+]CCCCC#N)c1 ZINC000178644713 346961611 /nfs/dbraw/zinc/96/16/11/346961611.db2.gz PDTITXUKPGOMOO-HNNXBMFYSA-N 1 0 244.382 3.600 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H](C)C1CCCCC1 ZINC000178645133 366151672 /nfs/dbraw/zinc/15/16/72/366151672.db2.gz AXCWPJKIIPQPIA-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)[C@H](C)C1CCCCC1 ZINC000178645146 366150867 /nfs/dbraw/zinc/15/08/67/366150867.db2.gz AXCWPJKIIPQPIA-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)[C@@H](C)C1CCCCC1 ZINC000178645159 366150912 /nfs/dbraw/zinc/15/09/12/366150912.db2.gz AXCWPJKIIPQPIA-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]([C@H](C)[NH2+]CCCCC#N)C1CCCCC1 ZINC000178645175 366151161 /nfs/dbraw/zinc/15/11/61/366151161.db2.gz AXCWPJKIIPQPIA-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CC(CC(C)C)[NH2+]CCCCC#N ZINC000178645707 206008833 /nfs/dbraw/zinc/00/88/33/206008833.db2.gz QVDBBKIAJJYNLE-UHFFFAOYSA-N 1 0 224.392 3.731 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CCCCC#N)c(C)c1 ZINC000178647119 346961570 /nfs/dbraw/zinc/96/15/70/346961570.db2.gz XYPQECGSIWCRLI-CQSZACIVSA-N 1 0 230.355 3.648 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CCCCC#N)c(C)c1 ZINC000178647131 346961392 /nfs/dbraw/zinc/96/13/92/346961392.db2.gz XYPQECGSIWCRLI-AWEZNQCLSA-N 1 0 230.355 3.648 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000178647231 134312483 /nfs/dbraw/zinc/31/24/83/134312483.db2.gz AHHADWXSXMVVQT-CJNGLKHVSA-N 1 0 242.366 3.908 20 30 BHEDRO C[C@H]1CC[C@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000178647246 134312308 /nfs/dbraw/zinc/31/23/08/134312308.db2.gz AHHADWXSXMVVQT-BBRMVZONSA-N 1 0 242.366 3.908 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000178647259 134312322 /nfs/dbraw/zinc/31/23/22/134312322.db2.gz AHHADWXSXMVVQT-CZUORRHYSA-N 1 0 242.366 3.908 20 30 BHEDRO C[C@H]1CC[C@@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000178647269 134312663 /nfs/dbraw/zinc/31/26/63/134312663.db2.gz AHHADWXSXMVVQT-XJKSGUPXSA-N 1 0 242.366 3.908 20 30 BHEDRO CC1(C)C[C@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000178647497 346961674 /nfs/dbraw/zinc/96/16/74/346961674.db2.gz HIFMOEIAMLGVLL-HNNXBMFYSA-N 1 0 242.366 3.692 20 30 BHEDRO CC1(C)C[C@@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000178647513 346961455 /nfs/dbraw/zinc/96/14/55/346961455.db2.gz HIFMOEIAMLGVLL-OAHLLOKOSA-N 1 0 242.366 3.692 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000178648744 346961651 /nfs/dbraw/zinc/96/16/51/346961651.db2.gz DRUJBWUGCSNDBY-AWEZNQCLSA-N 1 0 248.757 3.611 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000178648757 346961269 /nfs/dbraw/zinc/96/12/69/346961269.db2.gz DRUJBWUGCSNDBY-CQSZACIVSA-N 1 0 248.757 3.611 20 30 BHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCC#N ZINC000178650215 388503112 /nfs/dbraw/zinc/50/31/12/388503112.db2.gz MAMVGOUCOKJLOM-RBSFLKMASA-N 1 0 236.403 3.731 20 30 BHEDRO C[N@H+](CC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000178674083 366154374 /nfs/dbraw/zinc/15/43/74/366154374.db2.gz QQMFJRVXHUGXJO-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000178956778 166301643 /nfs/dbraw/zinc/30/16/43/166301643.db2.gz JPKHMPBRCSJPRH-INIZCTEOSA-N 1 0 240.350 3.812 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000178956790 166295557 /nfs/dbraw/zinc/29/55/57/166295557.db2.gz JPKHMPBRCSJPRH-MRXNPFEDSA-N 1 0 240.350 3.812 20 30 BHEDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCCC#N)CCC2 ZINC000178957188 346969552 /nfs/dbraw/zinc/96/95/52/346969552.db2.gz LBMYQFVNVJDDBG-MRXNPFEDSA-N 1 0 242.366 3.656 20 30 BHEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCC#N)CCC2 ZINC000178957197 366190160 /nfs/dbraw/zinc/19/01/60/366190160.db2.gz LBMYQFVNVJDDBG-INIZCTEOSA-N 1 0 242.366 3.656 20 30 BHEDRO Cc1oc2ccccc2c1C[NH2+]CCCCC#N ZINC000179004564 134909430 /nfs/dbraw/zinc/90/94/30/134909430.db2.gz LEHKJKJPZNNIOI-UHFFFAOYSA-N 1 0 242.322 3.525 20 30 BHEDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCCC#N ZINC000179418809 346983820 /nfs/dbraw/zinc/98/38/20/346983820.db2.gz GFGBULKOFMZXCS-HIFRSBDPSA-N 1 0 242.366 3.827 20 30 BHEDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCCC#N ZINC000179418819 134910482 /nfs/dbraw/zinc/91/04/82/134910482.db2.gz GFGBULKOFMZXCS-ZFWWWQNUSA-N 1 0 242.366 3.827 20 30 BHEDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCCC#N ZINC000179418831 346983990 /nfs/dbraw/zinc/98/39/90/346983990.db2.gz GFGBULKOFMZXCS-UKRRQHHQSA-N 1 0 242.366 3.827 20 30 BHEDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCCC#N ZINC000179418840 346983815 /nfs/dbraw/zinc/98/38/15/346983815.db2.gz GFGBULKOFMZXCS-DZGCQCFKSA-N 1 0 242.366 3.827 20 30 BHEDRO C#CCCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000179429347 632714677 /nfs/dbraw/zinc/71/46/77/632714677.db2.gz HGDZXNQJIUNXIJ-HIFRSBDPSA-N 1 0 227.351 3.546 20 30 BHEDRO C#CCCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000179429357 632715011 /nfs/dbraw/zinc/71/50/11/632715011.db2.gz HGDZXNQJIUNXIJ-ZFWWWQNUSA-N 1 0 227.351 3.546 20 30 BHEDRO C#CCCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000179429368 642715242 /nfs/dbraw/zinc/71/52/42/642715242.db2.gz HGDZXNQJIUNXIJ-UKRRQHHQSA-N 1 0 227.351 3.546 20 30 BHEDRO C#CCCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000179429380 642716150 /nfs/dbraw/zinc/71/61/50/642716150.db2.gz HGDZXNQJIUNXIJ-DZGCQCFKSA-N 1 0 227.351 3.546 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000179436569 636570044 /nfs/dbraw/zinc/57/00/44/636570044.db2.gz XAHWRPOVTQLINE-OAHLLOKOSA-N 1 0 247.407 3.982 20 30 BHEDRO C#CCCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000179436577 636571160 /nfs/dbraw/zinc/57/11/60/636571160.db2.gz XAHWRPOVTQLINE-HNNXBMFYSA-N 1 0 247.407 3.982 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000179496408 384895597 /nfs/dbraw/zinc/89/55/97/384895597.db2.gz FGBRACRZIZNIEJ-LLVKDONJSA-N 1 0 248.395 3.629 20 30 BHEDRO CC(C)[C@H](C)[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000179496418 384895506 /nfs/dbraw/zinc/89/55/06/384895506.db2.gz FGBRACRZIZNIEJ-NSHDSACASA-N 1 0 248.395 3.629 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000179496774 384896462 /nfs/dbraw/zinc/89/64/62/384896462.db2.gz UTPOYDQSOQPHSN-LLVKDONJSA-N 1 0 248.395 3.629 20 30 BHEDRO CC(C)[C@H](C)[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000179496783 384895916 /nfs/dbraw/zinc/89/59/16/384895916.db2.gz UTPOYDQSOQPHSN-NSHDSACASA-N 1 0 248.395 3.629 20 30 BHEDRO CCC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000179511515 385378528 /nfs/dbraw/zinc/37/85/28/385378528.db2.gz VDERLADAWNWUJE-CQSZACIVSA-N 1 0 236.403 3.971 20 30 BHEDRO CCC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000179511524 385378282 /nfs/dbraw/zinc/37/82/82/385378282.db2.gz VDERLADAWNWUJE-AWEZNQCLSA-N 1 0 236.403 3.971 20 30 BHEDRO CCCCCCCCC[N@H+](C)Cc1cncnc1 ZINC000179542903 642723714 /nfs/dbraw/zinc/72/37/14/642723714.db2.gz WGFUCHMIKAFXLT-UHFFFAOYSA-N 1 0 249.402 3.659 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179574440 385376890 /nfs/dbraw/zinc/37/68/90/385376890.db2.gz NGDOASTYEMOGGN-UHFFFAOYSA-N 1 0 221.319 3.617 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccccc1O ZINC000179577002 642728354 /nfs/dbraw/zinc/72/83/54/642728354.db2.gz OWIZJPJVOJNWJQ-UHFFFAOYSA-N 1 0 233.355 3.570 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000179623311 205654208 /nfs/dbraw/zinc/65/42/08/205654208.db2.gz JRWREGGYEFIUQT-ZDUSSCGKSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000179623327 205652718 /nfs/dbraw/zinc/65/27/18/205652718.db2.gz JRWREGGYEFIUQT-CYBMUJFWSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000179638510 385382794 /nfs/dbraw/zinc/38/27/94/385382794.db2.gz USSGSOWNEJYUCS-ZDUSSCGKSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000179638519 385383075 /nfs/dbraw/zinc/38/30/75/385383075.db2.gz USSGSOWNEJYUCS-CYBMUJFWSA-N 1 0 225.282 3.582 20 30 BHEDRO C[N@H+](Cc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000179647351 384323458 /nfs/dbraw/zinc/32/34/58/384323458.db2.gz VIGVPCBCJJHESY-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179668881 366281783 /nfs/dbraw/zinc/28/17/83/366281783.db2.gz NWNSILCJZGOCPK-CYBMUJFWSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179668892 366282338 /nfs/dbraw/zinc/28/23/38/366282338.db2.gz NWNSILCJZGOCPK-ZDUSSCGKSA-N 1 0 233.355 3.701 20 30 BHEDRO N#CCCCC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179672983 346992460 /nfs/dbraw/zinc/99/24/60/346992460.db2.gz AUENBPCIRQIUMU-UHFFFAOYSA-N 1 0 248.757 3.613 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179683045 366284673 /nfs/dbraw/zinc/28/46/73/366284673.db2.gz VZSJCNWOZBBPHH-CYBMUJFWSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179683060 366284248 /nfs/dbraw/zinc/28/42/48/366284248.db2.gz VZSJCNWOZBBPHH-ZDUSSCGKSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179693674 385379618 /nfs/dbraw/zinc/37/96/18/385379618.db2.gz YNEYVXCWUNDDOI-HNNXBMFYSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179693687 385378629 /nfs/dbraw/zinc/37/86/29/385378629.db2.gz YNEYVXCWUNDDOI-OAHLLOKOSA-N 1 0 215.340 3.694 20 30 BHEDRO CC(C)C[N@H+](CC(C)(C)CCC#N)C(C)C ZINC000179703887 535030055 /nfs/dbraw/zinc/03/00/55/535030055.db2.gz YMZVNCZJVOJYLB-UHFFFAOYSA-N 1 0 224.392 3.683 20 30 BHEDRO C=CC[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000179717625 387928665 /nfs/dbraw/zinc/92/86/65/387928665.db2.gz JDRSKMDHSBGXSA-NSHDSACASA-N 1 0 241.281 3.515 20 30 BHEDRO C=CC[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000179717636 385486705 /nfs/dbraw/zinc/48/67/05/385486705.db2.gz JDRSKMDHSBGXSA-LLVKDONJSA-N 1 0 241.281 3.515 20 30 BHEDRO CC1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000179718560 385035470 /nfs/dbraw/zinc/03/54/70/385035470.db2.gz QOOUUVDAUSZKOW-UHFFFAOYSA-N 1 0 248.395 3.630 20 30 BHEDRO CC1CCC([N@H+](C)CC(C)(C)CCC#N)CC1 ZINC000179718954 384334941 /nfs/dbraw/zinc/33/49/41/384334941.db2.gz HGPKTIZEPVRIHU-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1ccccc1OCC ZINC000179739074 366296783 /nfs/dbraw/zinc/29/67/83/366296783.db2.gz ZGYABEDJSPMNFU-AWEZNQCLSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1ccccc1OCC ZINC000179739088 366296155 /nfs/dbraw/zinc/29/61/55/366296155.db2.gz ZGYABEDJSPMNFU-CQSZACIVSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC)c1ccccc1OCC ZINC000179754819 366300171 /nfs/dbraw/zinc/30/01/71/366300171.db2.gz WOMCAKVHKVEEAO-AWEZNQCLSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC)c1ccccc1OCC ZINC000179754831 366300451 /nfs/dbraw/zinc/30/04/51/366300451.db2.gz WOMCAKVHKVEEAO-CQSZACIVSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000179760851 134323433 /nfs/dbraw/zinc/32/34/33/134323433.db2.gz NKWGQLWSKUARPD-UHFFFAOYSA-N 1 0 249.402 3.642 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000179782074 385380530 /nfs/dbraw/zinc/38/05/30/385380530.db2.gz KUBLNFWDSZZIPA-ZDUSSCGKSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000179782089 385380909 /nfs/dbraw/zinc/38/09/09/385380909.db2.gz KUBLNFWDSZZIPA-CYBMUJFWSA-N 1 0 225.282 3.582 20 30 BHEDRO C[N@H+](CC(C)(C)CCC#N)C1CCCCCC1 ZINC000179794130 384356643 /nfs/dbraw/zinc/35/66/43/384356643.db2.gz KCBMOHHUANFSFG-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000179803338 385381974 /nfs/dbraw/zinc/38/19/74/385381974.db2.gz KDAZFPGCSIVIBR-ZDUSSCGKSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000179803348 385381031 /nfs/dbraw/zinc/38/10/31/385381031.db2.gz KDAZFPGCSIVIBR-CYBMUJFWSA-N 1 0 225.282 3.582 20 30 BHEDRO CC(C)CC[C@H]([NH2+]CCCC#N)C(C)(C)C ZINC000179902407 385383570 /nfs/dbraw/zinc/38/35/70/385383570.db2.gz BMGNKBTXKIUCLX-ZDUSSCGKSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)CC[C@@H]([NH2+]CCCC#N)C(C)(C)C ZINC000179902418 385383658 /nfs/dbraw/zinc/38/36/58/385383658.db2.gz BMGNKBTXKIUCLX-CYBMUJFWSA-N 1 0 224.392 3.731 20 30 BHEDRO CCCCC[C@H]([NH2+]CCCC#N)C(C)(C)C ZINC000179916571 642753650 /nfs/dbraw/zinc/75/36/50/642753650.db2.gz XVTCHWJHQUCTBB-ZDUSSCGKSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCC[C@@H]([NH2+]CCCC#N)C(C)(C)C ZINC000179916586 642753789 /nfs/dbraw/zinc/75/37/89/642753789.db2.gz XVTCHWJHQUCTBB-CYBMUJFWSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCC1CCC(C[NH+]2CCC(C#N)CC2)CC1 ZINC000179924134 366334856 /nfs/dbraw/zinc/33/48/56/366334856.db2.gz DJXXIISADCPHNC-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO C[N@H+](CC1CCCCC1)CC(C)(C)CCC#N ZINC000179937231 259305918 /nfs/dbraw/zinc/30/59/18/259305918.db2.gz PZEAMMDLNZBSEE-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C=C(C)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179994319 366348632 /nfs/dbraw/zinc/34/86/32/366348632.db2.gz UBTNTHPLSFOWAI-UHFFFAOYSA-N 1 0 237.293 3.510 20 30 BHEDRO CC[C@H]([NH2+]CCCC#N)C(C)(C)c1ccccc1 ZINC000180005253 347008383 /nfs/dbraw/zinc/00/83/83/347008383.db2.gz MYYNFLIHMYTRSO-HNNXBMFYSA-N 1 0 244.382 3.636 20 30 BHEDRO CC[C@@H]([NH2+]CCCC#N)C(C)(C)c1ccccc1 ZINC000180005261 347008484 /nfs/dbraw/zinc/00/84/84/347008484.db2.gz MYYNFLIHMYTRSO-OAHLLOKOSA-N 1 0 244.382 3.636 20 30 BHEDRO C=CC[NH2+][C@@H](CC)C(C)(C)c1ccccc1 ZINC000180010251 385382736 /nfs/dbraw/zinc/38/27/36/385382736.db2.gz LQVKIWLOTKTKLE-AWEZNQCLSA-N 1 0 217.356 3.518 20 30 BHEDRO C=CC[NH2+][C@H](CC)C(C)(C)c1ccccc1 ZINC000180010267 385383875 /nfs/dbraw/zinc/38/38/75/385383875.db2.gz LQVKIWLOTKTKLE-CQSZACIVSA-N 1 0 217.356 3.518 20 30 BHEDRO CC(C)CC[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000180023249 385346015 /nfs/dbraw/zinc/34/60/15/385346015.db2.gz XAJZBMNNVLLBCT-UHFFFAOYSA-N 1 0 248.395 3.630 20 30 BHEDRO C=CCC[C@H]([NH2+]CCOC(C)C)c1ccccc1 ZINC000180035854 344718483 /nfs/dbraw/zinc/71/84/83/344718483.db2.gz WTVOWBZDNZYZJP-INIZCTEOSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCOC(C)C)c1ccccc1 ZINC000180035872 366362285 /nfs/dbraw/zinc/36/22/85/366362285.db2.gz WTVOWBZDNZYZJP-MRXNPFEDSA-N 1 0 247.382 3.709 20 30 BHEDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000180045411 385375390 /nfs/dbraw/zinc/37/53/90/385375390.db2.gz QLNCTUVLUHYLPQ-YPMHNXCESA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000180045432 385374111 /nfs/dbraw/zinc/37/41/11/385374111.db2.gz QLNCTUVLUHYLPQ-AAEUAGOBSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000180045444 385375445 /nfs/dbraw/zinc/37/54/45/385375445.db2.gz QLNCTUVLUHYLPQ-DGCLKSJQSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000180045461 385374125 /nfs/dbraw/zinc/37/41/25/385374125.db2.gz QLNCTUVLUHYLPQ-WCQYABFASA-N 1 0 248.395 3.630 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000180049865 347010231 /nfs/dbraw/zinc/01/02/31/347010231.db2.gz KQDBZEOMOOLFCH-HNNXBMFYSA-N 1 0 228.339 3.587 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000180049878 347010252 /nfs/dbraw/zinc/01/02/52/347010252.db2.gz KQDBZEOMOOLFCH-OAHLLOKOSA-N 1 0 228.339 3.587 20 30 BHEDRO Cc1ccccc1[C@H]([NH2+]CCCC#N)C(C)(C)C ZINC000180093803 366374555 /nfs/dbraw/zinc/37/45/55/366374555.db2.gz DXPGSKPEGPQRAB-HNNXBMFYSA-N 1 0 244.382 3.976 20 30 BHEDRO Cc1ccccc1[C@@H]([NH2+]CCCC#N)C(C)(C)C ZINC000180093814 366374648 /nfs/dbraw/zinc/37/46/48/366374648.db2.gz DXPGSKPEGPQRAB-OAHLLOKOSA-N 1 0 244.382 3.976 20 30 BHEDRO CCc1ccc(C(C)(C)[NH2+]CCCCC#N)cc1 ZINC000180100736 366375956 /nfs/dbraw/zinc/37/59/56/366375956.db2.gz WITOBTQHMJLGAM-UHFFFAOYSA-N 1 0 244.382 3.768 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180136307 711886814 /nfs/dbraw/zinc/88/68/14/711886814.db2.gz MNHPUXUIGYKMRN-OAHLLOKOSA-N 1 0 247.769 3.794 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180136319 711886707 /nfs/dbraw/zinc/88/67/07/711886707.db2.gz MNHPUXUIGYKMRN-HNNXBMFYSA-N 1 0 247.769 3.794 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000180144460 366383930 /nfs/dbraw/zinc/38/39/30/366383930.db2.gz DYGFUYSNICMOQX-KBPBESRZSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000180144479 366383980 /nfs/dbraw/zinc/38/39/80/366383980.db2.gz DYGFUYSNICMOQX-KGLIPLIRSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000180144497 366384844 /nfs/dbraw/zinc/38/48/44/366384844.db2.gz DYGFUYSNICMOQX-UONOGXRCSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000180144514 366384207 /nfs/dbraw/zinc/38/42/07/366384207.db2.gz DYGFUYSNICMOQX-ZIAGYGMSSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCSCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000180162098 385384703 /nfs/dbraw/zinc/38/47/03/385384703.db2.gz JJVNNMFCXVGEEX-HNNXBMFYSA-N 1 0 247.407 3.647 20 30 BHEDRO C=CCSCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000180162113 385385300 /nfs/dbraw/zinc/38/53/00/385385300.db2.gz JJVNNMFCXVGEEX-OAHLLOKOSA-N 1 0 247.407 3.647 20 30 BHEDRO C=CC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000180354037 344730968 /nfs/dbraw/zinc/73/09/68/344730968.db2.gz SGRAIIVUFHJHAE-LLVKDONJSA-N 1 0 245.322 3.668 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000180354057 366434538 /nfs/dbraw/zinc/43/45/38/366434538.db2.gz SGRAIIVUFHJHAE-NSHDSACASA-N 1 0 245.322 3.668 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)C1CCOCC1 ZINC000180401592 642794369 /nfs/dbraw/zinc/79/43/69/642794369.db2.gz DOWRNUIGUZMIQA-AWEZNQCLSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)C1CCOCC1 ZINC000180401610 642793835 /nfs/dbraw/zinc/79/38/35/642793835.db2.gz DOWRNUIGUZMIQA-CQSZACIVSA-N 1 0 241.419 3.752 20 30 BHEDRO CC[C@H]([NH2+]CCCCC#N)c1ccccc1F ZINC000180429741 535900388 /nfs/dbraw/zinc/90/03/88/535900388.db2.gz LBKRCDMXEHJKMX-AWEZNQCLSA-N 1 0 234.318 3.560 20 30 BHEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccccc1F ZINC000180429757 347028626 /nfs/dbraw/zinc/02/86/26/347028626.db2.gz LBKRCDMXEHJKMX-CQSZACIVSA-N 1 0 234.318 3.560 20 30 BHEDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCCC#N)[C@H](C)C2 ZINC000180430093 347028543 /nfs/dbraw/zinc/02/85/43/347028543.db2.gz LMFWQKHNSGIJMK-CZUORRHYSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCC#N)[C@H](C)C2 ZINC000180430111 134914553 /nfs/dbraw/zinc/91/45/53/134914553.db2.gz LMFWQKHNSGIJMK-CJNGLKHVSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCCC#N)[C@@H](C)C2 ZINC000180430127 134913900 /nfs/dbraw/zinc/91/39/00/134913900.db2.gz LMFWQKHNSGIJMK-XJKSGUPXSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCC#N)[C@@H](C)C2 ZINC000180430142 347028443 /nfs/dbraw/zinc/02/84/43/347028443.db2.gz LMFWQKHNSGIJMK-BBRMVZONSA-N 1 0 242.366 3.512 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ncc(C)s1 ZINC000180506097 134329595 /nfs/dbraw/zinc/32/95/95/134329595.db2.gz RLHDIMDBFDAVAE-UHFFFAOYSA-N 1 0 238.400 3.630 20 30 BHEDRO C=CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180558892 347033558 /nfs/dbraw/zinc/03/35/58/347033558.db2.gz ODDRHZWXYJUPCJ-NSHDSACASA-N 1 0 247.235 3.595 20 30 BHEDRO C=CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180558914 136227597 /nfs/dbraw/zinc/22/75/97/136227597.db2.gz ODDRHZWXYJUPCJ-LLVKDONJSA-N 1 0 247.235 3.595 20 30 BHEDRO Cc1ccc(C2CC([NH2+]CCCCC#N)C2)cc1 ZINC000180638836 347035893 /nfs/dbraw/zinc/03/58/93/347035893.db2.gz QCDQOXMOIYZIBG-UHFFFAOYSA-N 1 0 242.366 3.525 20 30 BHEDRO Cc1ccccc1C1CC([NH2+]CCCCC#N)C1 ZINC000180638861 347036163 /nfs/dbraw/zinc/03/61/63/347036163.db2.gz ZBQFWFBFENFAAJ-UHFFFAOYSA-N 1 0 242.366 3.525 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000180704008 366535188 /nfs/dbraw/zinc/53/51/88/366535188.db2.gz OZRMKTHFCVNPSJ-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000180704024 353406695 /nfs/dbraw/zinc/40/66/95/353406695.db2.gz OZRMKTHFCVNPSJ-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO CC(C)C[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000180760406 347039362 /nfs/dbraw/zinc/03/93/62/347039362.db2.gz LOEJLIQKOGDAJX-HNNXBMFYSA-N 1 0 230.355 3.667 20 30 BHEDRO CC(C)C[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000180760423 347039613 /nfs/dbraw/zinc/03/96/13/347039613.db2.gz LOEJLIQKOGDAJX-OAHLLOKOSA-N 1 0 230.355 3.667 20 30 BHEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)[C@H]2CCCC[C@H]12 ZINC000180764548 344844998 /nfs/dbraw/zinc/84/49/98/344844998.db2.gz XCJZUTNGRDUACF-KFWWJZLASA-N 1 0 248.414 3.827 20 30 BHEDRO Cc1cccc([C@H]([NH2+]CCCC#N)C(C)(C)C)c1 ZINC000180800897 366549269 /nfs/dbraw/zinc/54/92/69/366549269.db2.gz PXAWSOKANNWFAK-HNNXBMFYSA-N 1 0 244.382 3.976 20 30 BHEDRO Cc1cccc([C@@H]([NH2+]CCCC#N)C(C)(C)C)c1 ZINC000180800916 366549439 /nfs/dbraw/zinc/54/94/39/366549439.db2.gz PXAWSOKANNWFAK-OAHLLOKOSA-N 1 0 244.382 3.976 20 30 BHEDRO CC(C)c1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000180938978 136218190 /nfs/dbraw/zinc/21/81/90/136218190.db2.gz LFLSZGOCZVEHOP-CYBMUJFWSA-N 1 0 230.355 3.764 20 30 BHEDRO CC(C)c1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000180938999 136218435 /nfs/dbraw/zinc/21/84/35/136218435.db2.gz LFLSZGOCZVEHOP-ZDUSSCGKSA-N 1 0 230.355 3.764 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc2ccccc2o1 ZINC000180940057 386312366 /nfs/dbraw/zinc/31/23/66/386312366.db2.gz STUXZWGPCQPQDS-LBPRGKRZSA-N 1 0 244.338 3.787 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1nc2ccccc2o1 ZINC000180940073 386312809 /nfs/dbraw/zinc/31/28/09/386312809.db2.gz STUXZWGPCQPQDS-GFCCVEGCSA-N 1 0 244.338 3.787 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1ccccc1F ZINC000180941142 642831100 /nfs/dbraw/zinc/83/11/00/642831100.db2.gz NRFMESMHROJJQO-HNNXBMFYSA-N 1 0 233.330 3.670 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1ccccc1F ZINC000180941158 642830954 /nfs/dbraw/zinc/83/09/54/642830954.db2.gz NRFMESMHROJJQO-OAHLLOKOSA-N 1 0 233.330 3.670 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000180946108 366561593 /nfs/dbraw/zinc/56/15/93/366561593.db2.gz OCPBGIYPPDGXRB-BBRMVZONSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000180946124 366561504 /nfs/dbraw/zinc/56/15/04/366561504.db2.gz OCPBGIYPPDGXRB-CJNGLKHVSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000180946141 366560613 /nfs/dbraw/zinc/56/06/13/366560613.db2.gz OCPBGIYPPDGXRB-XJKSGUPXSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000180946163 366561433 /nfs/dbraw/zinc/56/14/33/366561433.db2.gz OCPBGIYPPDGXRB-CZUORRHYSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000180947304 366561759 /nfs/dbraw/zinc/56/17/59/366561759.db2.gz RKLPIJMMTDRTBM-MJBXVCDLSA-N 1 0 247.382 3.741 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000180947330 366561143 /nfs/dbraw/zinc/56/11/43/366561143.db2.gz RKLPIJMMTDRTBM-BFHYXJOUSA-N 1 0 247.382 3.741 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000180947362 386312047 /nfs/dbraw/zinc/31/20/47/386312047.db2.gz HRHGUQOIARBTLV-CMPLNLGQSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000180947378 386312411 /nfs/dbraw/zinc/31/24/11/386312411.db2.gz HRHGUQOIARBTLV-JQWIXIFHSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000180947399 386312454 /nfs/dbraw/zinc/31/24/54/386312454.db2.gz HRHGUQOIARBTLV-ZYHUDNBSSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000180947415 386313395 /nfs/dbraw/zinc/31/33/95/386313395.db2.gz HRHGUQOIARBTLV-PWSUYJOCSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000180948311 386311475 /nfs/dbraw/zinc/31/14/75/386311475.db2.gz BFRSAWIVVAZWJO-STQMWFEESA-N 1 0 240.350 3.850 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000180948331 135489835 /nfs/dbraw/zinc/48/98/35/135489835.db2.gz BFRSAWIVVAZWJO-OLZOCXBDSA-N 1 0 240.350 3.850 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000180948348 386311184 /nfs/dbraw/zinc/31/11/84/386311184.db2.gz BFRSAWIVVAZWJO-QWHCGFSZSA-N 1 0 240.350 3.850 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000180948367 386311538 /nfs/dbraw/zinc/31/15/38/386311538.db2.gz BFRSAWIVVAZWJO-CHWSQXEVSA-N 1 0 240.350 3.850 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000180950518 633062803 /nfs/dbraw/zinc/06/28/03/633062803.db2.gz XKLHOAXFMIYPJJ-BBRMVZONSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000180950535 642829299 /nfs/dbraw/zinc/82/92/99/642829299.db2.gz XKLHOAXFMIYPJJ-XJKSGUPXSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000180950553 642828675 /nfs/dbraw/zinc/82/86/75/642828675.db2.gz XKLHOAXFMIYPJJ-CJNGLKHVSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000180950567 642829167 /nfs/dbraw/zinc/82/91/67/642829167.db2.gz XKLHOAXFMIYPJJ-CZUORRHYSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000180951660 386312704 /nfs/dbraw/zinc/31/27/04/386312704.db2.gz RBUBNUGOKIPIGP-ZFWWWQNUSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000180951678 386312942 /nfs/dbraw/zinc/31/29/42/386312942.db2.gz RBUBNUGOKIPIGP-DZGCQCFKSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000180951695 136218169 /nfs/dbraw/zinc/21/81/69/136218169.db2.gz RBUBNUGOKIPIGP-HIFRSBDPSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000180951714 386313312 /nfs/dbraw/zinc/31/33/12/386313312.db2.gz RBUBNUGOKIPIGP-UKRRQHHQSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000180951930 134332327 /nfs/dbraw/zinc/33/23/27/134332327.db2.gz OBYXJRYSUICDSJ-ZFWWWQNUSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000180951948 134332429 /nfs/dbraw/zinc/33/24/29/134332429.db2.gz OBYXJRYSUICDSJ-DZGCQCFKSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000180951969 134332508 /nfs/dbraw/zinc/33/25/08/134332508.db2.gz OBYXJRYSUICDSJ-HIFRSBDPSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000180951988 134332379 /nfs/dbraw/zinc/33/23/79/134332379.db2.gz OBYXJRYSUICDSJ-UKRRQHHQSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000180952040 134332558 /nfs/dbraw/zinc/33/25/58/134332558.db2.gz VBUXGLNMDSJEEG-SMDDNHRTSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000180952061 134332556 /nfs/dbraw/zinc/33/25/56/134332556.db2.gz VBUXGLNMDSJEEG-BXUZGUMPSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000180952077 134332361 /nfs/dbraw/zinc/33/23/61/134332361.db2.gz VBUXGLNMDSJEEG-FZMZJTMJSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000180952098 134332311 /nfs/dbraw/zinc/33/23/11/134332311.db2.gz VBUXGLNMDSJEEG-RISCZKNCSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000180952841 134332584 /nfs/dbraw/zinc/33/25/84/134332584.db2.gz VWHRCHJKQAZJGN-DZGCQCFKSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000180952856 134332498 /nfs/dbraw/zinc/33/24/98/134332498.db2.gz VWHRCHJKQAZJGN-ZFWWWQNUSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000180952871 134332330 /nfs/dbraw/zinc/33/23/30/134332330.db2.gz VWHRCHJKQAZJGN-UKRRQHHQSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000180952887 134332312 /nfs/dbraw/zinc/33/23/12/134332312.db2.gz VWHRCHJKQAZJGN-HIFRSBDPSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000180952992 366561039 /nfs/dbraw/zinc/56/10/39/366561039.db2.gz KZKFRGRPOUZMGU-IUCAKERBSA-N 1 0 243.272 3.719 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000180953010 366560586 /nfs/dbraw/zinc/56/05/86/366560586.db2.gz KZKFRGRPOUZMGU-BDAKNGLRSA-N 1 0 243.272 3.719 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000180953029 366561765 /nfs/dbraw/zinc/56/17/65/366561765.db2.gz KZKFRGRPOUZMGU-DTWKUNHWSA-N 1 0 243.272 3.719 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000180953044 366560635 /nfs/dbraw/zinc/56/06/35/366560635.db2.gz KZKFRGRPOUZMGU-RKDXNWHRSA-N 1 0 243.272 3.719 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000180953571 642828906 /nfs/dbraw/zinc/82/89/06/642828906.db2.gz NREDNYFDFXSSPI-UONOGXRCSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000180953591 642828639 /nfs/dbraw/zinc/82/86/39/642828639.db2.gz NREDNYFDFXSSPI-KBPBESRZSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CSCCc2ccccc21 ZINC000180953699 134332599 /nfs/dbraw/zinc/33/25/99/134332599.db2.gz HQQSHJOFOKSNHH-SWLSCSKDSA-N 1 0 247.407 3.571 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CSCCc2ccccc21 ZINC000180953713 134332544 /nfs/dbraw/zinc/33/25/44/134332544.db2.gz HQQSHJOFOKSNHH-IUODEOHRSA-N 1 0 247.407 3.571 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CSCCc2ccccc21 ZINC000180953730 134332273 /nfs/dbraw/zinc/33/22/73/134332273.db2.gz HQQSHJOFOKSNHH-WFASDCNBSA-N 1 0 247.407 3.571 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CSCCc2ccccc21 ZINC000180953747 134332418 /nfs/dbraw/zinc/33/24/18/134332418.db2.gz HQQSHJOFOKSNHH-DOMZBBRYSA-N 1 0 247.407 3.571 20 30 BHEDRO CC1(C[NH2+]Cc2ccc(C#N)o2)CCCCCC1 ZINC000181022163 366780706 /nfs/dbraw/zinc/78/07/06/366780706.db2.gz ULJURNDWWHOQLP-UHFFFAOYSA-N 1 0 246.354 3.601 20 30 BHEDRO C=C(C)C[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000181053490 384433478 /nfs/dbraw/zinc/43/34/78/384433478.db2.gz BGIOIPHSCWFKDX-GXDHUFHOSA-N 1 0 215.340 3.598 20 30 BHEDRO CC(C)(C)[C@H]([NH2+]CCCC#N)c1cccc(F)c1 ZINC000181072866 397791195 /nfs/dbraw/zinc/79/11/95/397791195.db2.gz NRZALEXZYAJIFP-CQSZACIVSA-N 1 0 248.345 3.806 20 30 BHEDRO CC(C)(C)[C@@H]([NH2+]CCCC#N)c1cccc(F)c1 ZINC000181072881 397791337 /nfs/dbraw/zinc/79/13/37/397791337.db2.gz NRZALEXZYAJIFP-AWEZNQCLSA-N 1 0 248.345 3.806 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000181116882 353420750 /nfs/dbraw/zinc/42/07/50/353420750.db2.gz DJGHYAFMVKDRJG-LBPRGKRZSA-N 1 0 244.338 3.787 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000181116898 534714342 /nfs/dbraw/zinc/71/43/42/534714342.db2.gz DJGHYAFMVKDRJG-GFCCVEGCSA-N 1 0 244.338 3.787 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(CC)CC1)C1CC1 ZINC000181242392 205662172 /nfs/dbraw/zinc/66/21/72/205662172.db2.gz LPUGJCHXCAGOGL-ZDUSSCGKSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(CC)CC1)C1CC1 ZINC000181242408 385404027 /nfs/dbraw/zinc/40/40/27/385404027.db2.gz LPUGJCHXCAGOGL-CYBMUJFWSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C)CCC1)C1CC1 ZINC000181243633 385405448 /nfs/dbraw/zinc/40/54/48/385405448.db2.gz LJYIAEMVYXLZGL-ZDUSSCGKSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(C)CCC1)C1CC1 ZINC000181243651 205662752 /nfs/dbraw/zinc/66/27/52/205662752.db2.gz LJYIAEMVYXLZGL-CYBMUJFWSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000181259769 384473454 /nfs/dbraw/zinc/47/34/54/384473454.db2.gz FAFCNJGXKYFOGY-YNEHKIRRSA-N 1 0 239.403 3.523 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000181259799 384474122 /nfs/dbraw/zinc/47/41/22/384474122.db2.gz FAFCNJGXKYFOGY-RWMBFGLXSA-N 1 0 239.403 3.523 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cc(C)nc2ccccc12 ZINC000181266559 384474667 /nfs/dbraw/zinc/47/46/67/384474667.db2.gz YLUUVQRVTJFETK-UHFFFAOYSA-N 1 0 240.350 3.551 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181290549 134335235 /nfs/dbraw/zinc/33/52/35/134335235.db2.gz VLFLPTSDRCFMPJ-ZDUSSCGKSA-N 1 0 238.334 3.585 20 30 BHEDRO C=CC[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181290562 134335339 /nfs/dbraw/zinc/33/53/39/134335339.db2.gz VLFLPTSDRCFMPJ-CYBMUJFWSA-N 1 0 238.334 3.585 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC000181323520 384485718 /nfs/dbraw/zinc/48/57/18/384485718.db2.gz KIZPFEQCYOUMCU-CYBMUJFWSA-N 1 0 203.329 3.564 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000181323537 384486248 /nfs/dbraw/zinc/48/62/48/384486248.db2.gz KIZPFEQCYOUMCU-ZDUSSCGKSA-N 1 0 203.329 3.564 20 30 BHEDRO N#CCCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181353885 134335584 /nfs/dbraw/zinc/33/55/84/134335584.db2.gz UPPWSXSHSHOSHJ-MRXNPFEDSA-N 1 0 242.366 3.811 20 30 BHEDRO N#CCCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000181353898 134335512 /nfs/dbraw/zinc/33/55/12/134335512.db2.gz UPPWSXSHSHOSHJ-INIZCTEOSA-N 1 0 242.366 3.811 20 30 BHEDRO CCCCCCC[N@H+](C)CCc1ccncc1 ZINC000181442705 711697962 /nfs/dbraw/zinc/69/79/62/711697962.db2.gz XNCKUIZPKIWFDU-UHFFFAOYSA-N 1 0 234.387 3.526 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181547694 323079061 /nfs/dbraw/zinc/07/90/61/323079061.db2.gz GGLVSGYAAALBIK-AWEZNQCLSA-N 1 0 248.326 3.602 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181547713 323079060 /nfs/dbraw/zinc/07/90/60/323079060.db2.gz GGLVSGYAAALBIK-CQSZACIVSA-N 1 0 248.326 3.602 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181548533 323079066 /nfs/dbraw/zinc/07/90/66/323079066.db2.gz ZQQIMQUEYGGUTR-STQMWFEESA-N 1 0 233.355 3.788 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181548551 323079015 /nfs/dbraw/zinc/07/90/15/323079015.db2.gz ZQQIMQUEYGGUTR-OLZOCXBDSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000181548572 323079008 /nfs/dbraw/zinc/07/90/08/323079008.db2.gz ZQQIMQUEYGGUTR-QWHCGFSZSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000181548589 323079064 /nfs/dbraw/zinc/07/90/64/323079064.db2.gz ZQQIMQUEYGGUTR-CHWSQXEVSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000181584377 385409834 /nfs/dbraw/zinc/40/98/34/385409834.db2.gz WCRUQMYRGSIZIN-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000181584397 385410038 /nfs/dbraw/zinc/41/00/38/385410038.db2.gz WCRUQMYRGSIZIN-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000181633533 386380172 /nfs/dbraw/zinc/38/01/72/386380172.db2.gz XUFBJDLHFYYAPU-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000181633557 385412000 /nfs/dbraw/zinc/41/20/00/385412000.db2.gz XUFBJDLHFYYAPU-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CC[NH2+][C@@H](CCC)c1ccc(F)cc1F ZINC000181666415 259364771 /nfs/dbraw/zinc/36/47/71/259364771.db2.gz PQMQNKJRUCGLKR-ZDUSSCGKSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CC[NH2+][C@H](CCC)c1ccc(F)cc1F ZINC000181666435 259364730 /nfs/dbraw/zinc/36/47/30/259364730.db2.gz PQMQNKJRUCGLKR-CYBMUJFWSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1=CCCC1 ZINC000181689081 385408905 /nfs/dbraw/zinc/40/89/05/385408905.db2.gz DATFWXMKZSKSHP-QWHCGFSZSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1=CCCC1 ZINC000181689100 385410004 /nfs/dbraw/zinc/41/00/04/385410004.db2.gz DATFWXMKZSKSHP-CHWSQXEVSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1=CCCC1 ZINC000181689114 219910804 /nfs/dbraw/zinc/91/08/04/219910804.db2.gz DATFWXMKZSKSHP-STQMWFEESA-N 1 0 207.361 3.677 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1=CCCC1 ZINC000181689133 385409743 /nfs/dbraw/zinc/40/97/43/385409743.db2.gz DATFWXMKZSKSHP-OLZOCXBDSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CC[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000181705253 366841201 /nfs/dbraw/zinc/84/12/01/366841201.db2.gz GXLJLEXZWDPUJF-AWEZNQCLSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CC[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000181705268 366841612 /nfs/dbraw/zinc/84/16/12/366841612.db2.gz GXLJLEXZWDPUJF-CQSZACIVSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181740287 323079097 /nfs/dbraw/zinc/07/90/97/323079097.db2.gz UVUCAKLGHYMLPO-VIFPVBQESA-N 1 0 227.710 3.706 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181740308 323079114 /nfs/dbraw/zinc/07/91/14/323079114.db2.gz UVUCAKLGHYMLPO-SECBINFHSA-N 1 0 227.710 3.706 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181762572 385415332 /nfs/dbraw/zinc/41/53/32/385415332.db2.gz AWBSCRPDFDOXFR-VIFPVBQESA-N 1 0 227.710 3.706 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181762585 385415076 /nfs/dbraw/zinc/41/50/76/385415076.db2.gz AWBSCRPDFDOXFR-SECBINFHSA-N 1 0 227.710 3.706 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000181801297 385417139 /nfs/dbraw/zinc/41/71/39/385417139.db2.gz WGBHOWIDKHWOBA-ZDUSSCGKSA-N 1 0 217.356 3.518 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000181801315 385417540 /nfs/dbraw/zinc/41/75/40/385417540.db2.gz WGBHOWIDKHWOBA-CYBMUJFWSA-N 1 0 217.356 3.518 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000181832350 642911935 /nfs/dbraw/zinc/91/19/35/642911935.db2.gz OLCLCXRDNUAPPI-HNNXBMFYSA-N 1 0 243.394 3.746 20 30 BHEDRO C#CCCC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000181832371 642911893 /nfs/dbraw/zinc/91/18/93/642911893.db2.gz OLCLCXRDNUAPPI-OAHLLOKOSA-N 1 0 243.394 3.746 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181866884 353450405 /nfs/dbraw/zinc/45/04/05/353450405.db2.gz MZKGYXMBGVCWRT-AWEZNQCLSA-N 1 0 244.382 3.514 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181866901 353450560 /nfs/dbraw/zinc/45/05/60/353450560.db2.gz MZKGYXMBGVCWRT-CQSZACIVSA-N 1 0 244.382 3.514 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181891290 366852876 /nfs/dbraw/zinc/85/28/76/366852876.db2.gz YECJFFQNCWYHTJ-AWEZNQCLSA-N 1 0 244.382 3.514 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181891309 366853093 /nfs/dbraw/zinc/85/30/93/366853093.db2.gz YECJFFQNCWYHTJ-CQSZACIVSA-N 1 0 244.382 3.514 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181988908 366858674 /nfs/dbraw/zinc/85/86/74/366858674.db2.gz CFTJWFJVWDGVEW-KBPBESRZSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181988929 366859287 /nfs/dbraw/zinc/85/92/87/366859287.db2.gz CFTJWFJVWDGVEW-KGLIPLIRSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181988949 366859148 /nfs/dbraw/zinc/85/91/48/366859148.db2.gz CFTJWFJVWDGVEW-UONOGXRCSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181988965 366859342 /nfs/dbraw/zinc/85/93/42/366859342.db2.gz CFTJWFJVWDGVEW-ZIAGYGMSSA-N 1 0 242.366 3.954 20 30 BHEDRO CC(C)C1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000182009105 385427288 /nfs/dbraw/zinc/42/72/88/385427288.db2.gz UZOUIGSHGQBQHV-ZDUSSCGKSA-N 1 0 242.366 3.645 20 30 BHEDRO CC(C)C1(C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000182009126 385426628 /nfs/dbraw/zinc/42/66/28/385426628.db2.gz UZOUIGSHGQBQHV-CYBMUJFWSA-N 1 0 242.366 3.645 20 30 BHEDRO CCCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000182016486 386020906 /nfs/dbraw/zinc/02/09/06/386020906.db2.gz PNVQQWXIJIXJHY-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO CCCC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000182016503 386020411 /nfs/dbraw/zinc/02/04/11/386020411.db2.gz PNVQQWXIJIXJHY-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000182051321 366863303 /nfs/dbraw/zinc/86/33/03/366863303.db2.gz BEVHSOXYXOTGMW-HNNXBMFYSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000182051340 345058812 /nfs/dbraw/zinc/05/88/12/345058812.db2.gz BEVHSOXYXOTGMW-OAHLLOKOSA-N 1 0 233.355 3.558 20 30 BHEDRO CC(C)(C)C[NH+](CCCC#N)CC(C)(C)C ZINC000182083409 366865725 /nfs/dbraw/zinc/86/57/25/366865725.db2.gz LQIJUHHJEBQMAK-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=CC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000182121208 385430255 /nfs/dbraw/zinc/43/02/55/385430255.db2.gz QKNQRJBJADAHPE-LLVKDONJSA-N 1 0 221.369 3.635 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000182121221 385430890 /nfs/dbraw/zinc/43/08/90/385430890.db2.gz QKNQRJBJADAHPE-NSHDSACASA-N 1 0 221.369 3.635 20 30 BHEDRO CCSc1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000182135967 366870229 /nfs/dbraw/zinc/87/02/29/366870229.db2.gz HLXSBOPWKADXMQ-GFCCVEGCSA-N 1 0 248.395 3.753 20 30 BHEDRO CCSc1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000182135991 366870363 /nfs/dbraw/zinc/87/03/63/366870363.db2.gz HLXSBOPWKADXMQ-LBPRGKRZSA-N 1 0 248.395 3.753 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182139321 134342526 /nfs/dbraw/zinc/34/25/26/134342526.db2.gz ZAOPQZBQLQAPNI-SMDDNHRTSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182139344 134342773 /nfs/dbraw/zinc/34/27/73/134342773.db2.gz ZAOPQZBQLQAPNI-BXUZGUMPSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182139365 134342620 /nfs/dbraw/zinc/34/26/20/134342620.db2.gz ZAOPQZBQLQAPNI-FZMZJTMJSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182139389 134342557 /nfs/dbraw/zinc/34/25/57/134342557.db2.gz ZAOPQZBQLQAPNI-RISCZKNCSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000182182195 385434819 /nfs/dbraw/zinc/43/48/19/385434819.db2.gz NUSHJGZBBXLHEU-RYUDHWBXSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000182182214 385434159 /nfs/dbraw/zinc/43/41/59/385434159.db2.gz NUSHJGZBBXLHEU-NEPJUHHUSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000182182233 366872951 /nfs/dbraw/zinc/87/29/51/366872951.db2.gz NUSHJGZBBXLHEU-NWDGAFQWSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000182182253 366872578 /nfs/dbraw/zinc/87/25/78/366872578.db2.gz NUSHJGZBBXLHEU-VXGBXAGGSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000182185133 366873029 /nfs/dbraw/zinc/87/30/29/366873029.db2.gz OHTHIZQBFRQNNC-UONOGXRCSA-N 1 0 249.402 3.859 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000182185148 366872608 /nfs/dbraw/zinc/87/26/08/366872608.db2.gz OHTHIZQBFRQNNC-KBPBESRZSA-N 1 0 249.402 3.859 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000182185169 366872613 /nfs/dbraw/zinc/87/26/13/366872613.db2.gz OHTHIZQBFRQNNC-ZIAGYGMSSA-N 1 0 249.402 3.859 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000182185186 347089377 /nfs/dbraw/zinc/08/93/77/347089377.db2.gz OHTHIZQBFRQNNC-KGLIPLIRSA-N 1 0 249.402 3.859 20 30 BHEDRO CCC[C@@H](C[NH2+]CCCCC#N)c1ccccc1 ZINC000182195318 347088883 /nfs/dbraw/zinc/08/88/83/347088883.db2.gz SYPRHWUMWYSUIT-INIZCTEOSA-N 1 0 244.382 3.854 20 30 BHEDRO CCC[C@H](C[NH2+]CCCCC#N)c1ccccc1 ZINC000182195336 347089012 /nfs/dbraw/zinc/08/90/12/347089012.db2.gz SYPRHWUMWYSUIT-MRXNPFEDSA-N 1 0 244.382 3.854 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000182254752 134919475 /nfs/dbraw/zinc/91/94/75/134919475.db2.gz UYGLFTGXRCGVPJ-CYBMUJFWSA-N 1 0 246.379 3.507 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000182254775 347089803 /nfs/dbraw/zinc/08/98/03/347089803.db2.gz UYGLFTGXRCGVPJ-ZDUSSCGKSA-N 1 0 246.379 3.507 20 30 BHEDRO CCC[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000182333292 347092255 /nfs/dbraw/zinc/09/22/55/347092255.db2.gz ACJSFRFCCSLBSD-HNNXBMFYSA-N 1 0 230.355 3.811 20 30 BHEDRO CCC[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000182333312 134919817 /nfs/dbraw/zinc/91/98/17/134919817.db2.gz ACJSFRFCCSLBSD-OAHLLOKOSA-N 1 0 230.355 3.811 20 30 BHEDRO C#CCCC[NH2+]C[C@H](CCC)c1ccccc1 ZINC000182492089 643026220 /nfs/dbraw/zinc/02/62/20/643026220.db2.gz PMTZDPSKQUKISI-INIZCTEOSA-N 1 0 229.367 3.573 20 30 BHEDRO C#CCCC[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000182492109 643025868 /nfs/dbraw/zinc/02/58/68/643025868.db2.gz PMTZDPSKQUKISI-MRXNPFEDSA-N 1 0 229.367 3.573 20 30 BHEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000182493060 366910941 /nfs/dbraw/zinc/91/09/41/366910941.db2.gz LZZOMSZWIHZJAV-KFWWJZLASA-N 1 0 248.414 3.827 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000182629235 643047007 /nfs/dbraw/zinc/04/70/07/643047007.db2.gz VMYSCQORCRKSIO-UHFFFAOYSA-N 1 0 241.334 3.553 20 30 BHEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCC(C)(C)C#N ZINC000182712069 366934905 /nfs/dbraw/zinc/93/49/05/366934905.db2.gz APHRAUATHHZBBR-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCC(C)(C)C#N ZINC000182712086 366935190 /nfs/dbraw/zinc/93/51/90/366935190.db2.gz APHRAUATHHZBBR-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[NH+](CCSCCCCC#N)C(C)C ZINC000182905480 633960924 /nfs/dbraw/zinc/96/09/24/633960924.db2.gz SQZOGFWNZOBNRX-UHFFFAOYSA-N 1 0 242.432 3.532 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000182952501 366961192 /nfs/dbraw/zinc/96/11/92/366961192.db2.gz WZKLYEMVZDVDNL-LBPRGKRZSA-N 1 0 223.385 3.577 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000182952526 366961262 /nfs/dbraw/zinc/96/12/62/366961262.db2.gz WZKLYEMVZDVDNL-GFCCVEGCSA-N 1 0 223.385 3.577 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cccc2cnccc21 ZINC000182952603 538965475 /nfs/dbraw/zinc/96/54/75/538965475.db2.gz FYNOGLZCXDGNLG-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ncc(C(C)C)s1 ZINC000183087200 366975862 /nfs/dbraw/zinc/97/58/62/366975862.db2.gz VUZYUEGAKAMNOE-UHFFFAOYSA-N 1 0 238.400 3.665 20 30 BHEDRO Cc1ccccc1[C@H]([NH2+]CCCC#N)C(C)C ZINC000183232978 347122339 /nfs/dbraw/zinc/12/23/39/347122339.db2.gz FARPDQPNOWJVCE-OAHLLOKOSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1ccccc1[C@@H]([NH2+]CCCC#N)C(C)C ZINC000183232993 347122166 /nfs/dbraw/zinc/12/21/66/347122166.db2.gz FARPDQPNOWJVCE-HNNXBMFYSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCCC#N ZINC000183253813 367005274 /nfs/dbraw/zinc/00/52/74/367005274.db2.gz LBMAPQNSNCVIGN-MRXNPFEDSA-N 1 0 244.382 3.976 20 30 BHEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CCCC#N ZINC000183253827 367005410 /nfs/dbraw/zinc/00/54/10/367005410.db2.gz LBMAPQNSNCVIGN-INIZCTEOSA-N 1 0 244.382 3.976 20 30 BHEDRO C[C@@H](CC1CCCCC1)C[NH+]1CCC(C#N)CC1 ZINC000183309715 367013180 /nfs/dbraw/zinc/01/31/80/367013180.db2.gz AXTPHZUGMCLHJZ-AWEZNQCLSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H](CC1CCCCC1)C[NH+]1CCC(C#N)CC1 ZINC000183309733 367013431 /nfs/dbraw/zinc/01/34/31/367013431.db2.gz AXTPHZUGMCLHJZ-CQSZACIVSA-N 1 0 248.414 3.828 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000183331294 643105400 /nfs/dbraw/zinc/10/54/00/643105400.db2.gz ZYOZCLMIDNEDIF-MRXNPFEDSA-N 1 0 245.341 3.596 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000183331312 643106439 /nfs/dbraw/zinc/10/64/39/643106439.db2.gz ZYOZCLMIDNEDIF-INIZCTEOSA-N 1 0 245.341 3.596 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cccc2cnccc21 ZINC000183336850 538966488 /nfs/dbraw/zinc/96/64/88/538966488.db2.gz WMRNZWUDVDFUPD-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000183373481 205684004 /nfs/dbraw/zinc/68/40/04/205684004.db2.gz GDGUYOBFPSQPOW-ZIAGYGMSSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CCCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000183373498 385536911 /nfs/dbraw/zinc/53/69/11/385536911.db2.gz GDGUYOBFPSQPOW-UONOGXRCSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000183373521 385537528 /nfs/dbraw/zinc/53/75/28/385537528.db2.gz GDGUYOBFPSQPOW-KGLIPLIRSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000183373537 385537635 /nfs/dbraw/zinc/53/76/35/385537635.db2.gz GDGUYOBFPSQPOW-KBPBESRZSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183410681 367022812 /nfs/dbraw/zinc/02/28/12/367022812.db2.gz CBFDDQMMIDIJOZ-INIZCTEOSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183410704 367022714 /nfs/dbraw/zinc/02/27/14/367022714.db2.gz CBFDDQMMIDIJOZ-MRXNPFEDSA-N 1 0 229.367 3.564 20 30 BHEDRO C[C@H](C[NH2+]CCCCC#N)CC1CCCCC1 ZINC000183474091 367025771 /nfs/dbraw/zinc/02/57/71/367025771.db2.gz ZOMAWXWIXRXHAG-AWEZNQCLSA-N 1 0 236.403 3.876 20 30 BHEDRO C[C@@H](C[NH2+]CCCCC#N)CC1CCCCC1 ZINC000183474108 347128011 /nfs/dbraw/zinc/12/80/11/347128011.db2.gz ZOMAWXWIXRXHAG-CQSZACIVSA-N 1 0 236.403 3.876 20 30 BHEDRO N#CCCCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000183544076 367029979 /nfs/dbraw/zinc/02/99/79/367029979.db2.gz PZMZIMIZHXVDDR-UHFFFAOYSA-N 1 0 242.366 3.739 20 30 BHEDRO C=CC[C@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183712582 388571460 /nfs/dbraw/zinc/57/14/60/388571460.db2.gz SDOLBBLIWPKCOU-UNXYVOJBSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183712598 323180351 /nfs/dbraw/zinc/18/03/51/323180351.db2.gz SDOLBBLIWPKCOU-VOMCLLRMSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000183715445 384570338 /nfs/dbraw/zinc/57/03/38/384570338.db2.gz NGPQCFSUPJYYBT-CYBMUJFWSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000183715468 384570510 /nfs/dbraw/zinc/57/05/10/384570510.db2.gz NGPQCFSUPJYYBT-ZDUSSCGKSA-N 1 0 203.329 3.530 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000183738809 384575341 /nfs/dbraw/zinc/57/53/41/384575341.db2.gz MTTAWLDTPLDJNV-CYBMUJFWSA-N 1 0 203.329 3.530 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000183738827 384577326 /nfs/dbraw/zinc/57/73/26/384577326.db2.gz MTTAWLDTPLDJNV-ZDUSSCGKSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000183758524 384588280 /nfs/dbraw/zinc/58/82/80/384588280.db2.gz SSONASAJETXBHJ-QMMMGPOBSA-N 1 0 230.138 3.830 20 30 BHEDRO C=CC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000183758543 384586819 /nfs/dbraw/zinc/58/68/19/384586819.db2.gz SSONASAJETXBHJ-MRVPVSSYSA-N 1 0 230.138 3.830 20 30 BHEDRO C#CCCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000183826181 643171102 /nfs/dbraw/zinc/17/11/02/643171102.db2.gz YNJGBKJMMZIUIS-UHFFFAOYSA-N 1 0 247.341 3.759 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccc(C(F)F)cc1 ZINC000183925322 388572263 /nfs/dbraw/zinc/57/22/63/388572263.db2.gz KYIKWIDPIDVKOC-UHFFFAOYSA-N 1 0 237.293 3.798 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183994638 134355774 /nfs/dbraw/zinc/35/57/74/134355774.db2.gz HHGQPIWWFAQAFM-UHFFFAOYSA-N 1 0 225.282 3.632 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]Cc1cc2ccccc2s1 ZINC000184086617 384563481 /nfs/dbraw/zinc/56/34/81/384563481.db2.gz OIFGVDDITDEEHX-LBPRGKRZSA-N 1 0 244.363 3.683 20 30 BHEDRO CC[C@H](CC#N)[NH2+]Cc1cc2ccccc2s1 ZINC000184086635 536055246 /nfs/dbraw/zinc/05/52/46/536055246.db2.gz OIFGVDDITDEEHX-GFCCVEGCSA-N 1 0 244.363 3.683 20 30 BHEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCC#N ZINC000184088120 347149359 /nfs/dbraw/zinc/14/93/59/347149359.db2.gz OOEPOQWIDVCZLD-GFCCVEGCSA-N 1 0 242.322 3.696 20 30 BHEDRO CCC[C@@H](C[NH2+][C@@H](CC)CC#N)c1ccccc1 ZINC000184092524 367064755 /nfs/dbraw/zinc/06/47/55/367064755.db2.gz YBZVENAIZRCQQQ-HOTGVXAUSA-N 1 0 244.382 3.852 20 30 BHEDRO CCC[C@H](C[NH2+][C@@H](CC)CC#N)c1ccccc1 ZINC000184092537 367064127 /nfs/dbraw/zinc/06/41/27/367064127.db2.gz YBZVENAIZRCQQQ-CVEARBPZSA-N 1 0 244.382 3.852 20 30 BHEDRO CCC[C@@H](C[NH2+][C@H](CC)CC#N)c1ccccc1 ZINC000184092559 367064239 /nfs/dbraw/zinc/06/42/39/367064239.db2.gz YBZVENAIZRCQQQ-JKSUJKDBSA-N 1 0 244.382 3.852 20 30 BHEDRO CCC[C@H](C[NH2+][C@H](CC)CC#N)c1ccccc1 ZINC000184092577 367064887 /nfs/dbraw/zinc/06/48/87/367064887.db2.gz YBZVENAIZRCQQQ-HZPDHXFCSA-N 1 0 244.382 3.852 20 30 BHEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000184232052 367070227 /nfs/dbraw/zinc/07/02/27/367070227.db2.gz AGSMYBAUJKPJOY-CYBMUJFWSA-N 1 0 248.395 3.774 20 30 BHEDRO CCC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000184232068 367070520 /nfs/dbraw/zinc/07/05/20/367070520.db2.gz AGSMYBAUJKPJOY-ZDUSSCGKSA-N 1 0 248.395 3.774 20 30 BHEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000184234050 367070751 /nfs/dbraw/zinc/07/07/51/367070751.db2.gz BFPGVNKXPUZQJD-GFCCVEGCSA-N 1 0 248.395 3.774 20 30 BHEDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000184234071 367070303 /nfs/dbraw/zinc/07/03/03/367070303.db2.gz BFPGVNKXPUZQJD-LBPRGKRZSA-N 1 0 248.395 3.774 20 30 BHEDRO C=CC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000184331996 367073882 /nfs/dbraw/zinc/07/38/82/367073882.db2.gz DCRFGIPCEPLSKF-LLVKDONJSA-N 1 0 245.322 3.586 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000184332014 367073506 /nfs/dbraw/zinc/07/35/06/367073506.db2.gz DCRFGIPCEPLSKF-NSHDSACASA-N 1 0 245.322 3.586 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1cc2ccccc2s1 ZINC000184366776 347160271 /nfs/dbraw/zinc/16/02/71/347160271.db2.gz ANMOYOZYJAVBFE-NSHDSACASA-N 1 0 244.363 3.856 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1cc2ccccc2s1 ZINC000184366795 134927226 /nfs/dbraw/zinc/92/72/26/134927226.db2.gz ANMOYOZYJAVBFE-LLVKDONJSA-N 1 0 244.363 3.856 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184374206 643207582 /nfs/dbraw/zinc/20/75/82/643207582.db2.gz NGMGJVZQERVMSL-LBPRGKRZSA-N 1 0 243.375 3.965 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184374221 636057137 /nfs/dbraw/zinc/05/71/37/636057137.db2.gz NGMGJVZQERVMSL-GFCCVEGCSA-N 1 0 243.375 3.965 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cncc(C)c1 ZINC000184432130 386595763 /nfs/dbraw/zinc/59/57/63/386595763.db2.gz LXXWAAPHMAUXGO-UONOGXRCSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184432145 256845645 /nfs/dbraw/zinc/84/56/45/256845645.db2.gz LXXWAAPHMAUXGO-KBPBESRZSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cncc(C)c1 ZINC000184432167 388577762 /nfs/dbraw/zinc/57/77/62/388577762.db2.gz LXXWAAPHMAUXGO-ZIAGYGMSSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184432181 256845285 /nfs/dbraw/zinc/84/52/85/256845285.db2.gz LXXWAAPHMAUXGO-KGLIPLIRSA-N 1 0 232.371 3.785 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184467776 386601079 /nfs/dbraw/zinc/60/10/79/386601079.db2.gz DCUNPASOWGMEBB-JTQLQIEISA-N 1 0 238.400 3.667 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184467799 385662578 /nfs/dbraw/zinc/66/25/78/385662578.db2.gz DCUNPASOWGMEBB-SNVBAGLBSA-N 1 0 238.400 3.667 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184484722 386602846 /nfs/dbraw/zinc/60/28/46/386602846.db2.gz HHLZWWOJTIPFEH-JTQLQIEISA-N 1 0 238.400 3.667 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184484739 398042026 /nfs/dbraw/zinc/04/20/26/398042026.db2.gz HHLZWWOJTIPFEH-SNVBAGLBSA-N 1 0 238.400 3.667 20 30 BHEDRO C=C(C)C[N@H+](CCC)CCc1cccs1 ZINC000184505628 388577801 /nfs/dbraw/zinc/57/78/01/388577801.db2.gz TYRYKGOIPWOROU-UHFFFAOYSA-N 1 0 223.385 3.579 20 30 BHEDRO CCCCCCC[NH2+][C@@H](COC)c1ccco1 ZINC000184517261 634009700 /nfs/dbraw/zinc/00/97/00/634009700.db2.gz WJAUJKWPGKSQIK-ZDUSSCGKSA-N 1 0 239.359 3.527 20 30 BHEDRO C#CCCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000184560102 643217790 /nfs/dbraw/zinc/21/77/90/643217790.db2.gz NQLXWQDDRJPHIU-HOTGVXAUSA-N 1 0 241.378 3.572 20 30 BHEDRO C#CCCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000184560121 643217903 /nfs/dbraw/zinc/21/79/03/643217903.db2.gz NQLXWQDDRJPHIU-CVEARBPZSA-N 1 0 241.378 3.572 20 30 BHEDRO C#CCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000184560136 643218503 /nfs/dbraw/zinc/21/85/03/643218503.db2.gz NQLXWQDDRJPHIU-JKSUJKDBSA-N 1 0 241.378 3.572 20 30 BHEDRO C#CCCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000184560155 643218363 /nfs/dbraw/zinc/21/83/63/643218363.db2.gz NQLXWQDDRJPHIU-HZPDHXFCSA-N 1 0 241.378 3.572 20 30 BHEDRO CC/C=C/CC[N@H+](CCC#N)CC(C)(C)C ZINC000184568677 388579975 /nfs/dbraw/zinc/57/99/75/388579975.db2.gz BNMRGYQXENHUBV-VOTSOKGWSA-N 1 0 222.376 3.604 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184880446 166266881 /nfs/dbraw/zinc/26/68/81/166266881.db2.gz RMBRVICXOWYEGJ-LBPRGKRZSA-N 1 0 242.322 3.568 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184880466 166266465 /nfs/dbraw/zinc/26/64/65/166266465.db2.gz RMBRVICXOWYEGJ-GFCCVEGCSA-N 1 0 242.322 3.568 20 30 BHEDRO CCCC[C@H]([NH2+]CCCCC#N)C1CCC1 ZINC000184880763 384659901 /nfs/dbraw/zinc/65/99/01/384659901.db2.gz MRPYABKNVJDQDF-AWEZNQCLSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCC[C@@H]([NH2+]CCCCC#N)C1CCC1 ZINC000184880776 219872414 /nfs/dbraw/zinc/87/24/14/219872414.db2.gz MRPYABKNVJDQDF-CQSZACIVSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CC[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000184985325 490229874 /nfs/dbraw/zinc/22/98/74/490229874.db2.gz LMINWTSNSORFKA-AWEZNQCLSA-N 1 0 243.375 3.808 20 30 BHEDRO C=CC[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000184985343 347187281 /nfs/dbraw/zinc/18/72/81/347187281.db2.gz LMINWTSNSORFKA-CQSZACIVSA-N 1 0 243.375 3.808 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CCO)C(C)(C)C ZINC000185194625 367124699 /nfs/dbraw/zinc/12/46/99/367124699.db2.gz TUJBEVFAJOKEPE-KBPBESRZSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CCO)C(C)(C)C ZINC000185194646 367124817 /nfs/dbraw/zinc/12/48/17/367124817.db2.gz TUJBEVFAJOKEPE-KGLIPLIRSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](CCO)C(C)(C)C ZINC000185194668 367125774 /nfs/dbraw/zinc/12/57/74/367125774.db2.gz TUJBEVFAJOKEPE-UONOGXRCSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CCO)C(C)(C)C ZINC000185194686 367125497 /nfs/dbraw/zinc/12/54/97/367125497.db2.gz TUJBEVFAJOKEPE-ZIAGYGMSSA-N 1 0 241.419 3.508 20 30 BHEDRO N#Cc1ccc(C[NH2+]CCC2=CCCCCC2)o1 ZINC000185406756 181108189 /nfs/dbraw/zinc/10/81/89/181108189.db2.gz VHGJFUYWRLUXPY-UHFFFAOYSA-N 1 0 244.338 3.521 20 30 BHEDRO CCSc1cccc(C[NH2+]CCCCC#N)c1 ZINC000185515669 170655927 /nfs/dbraw/zinc/65/59/27/170655927.db2.gz CWZCXSJRJSGZAE-UHFFFAOYSA-N 1 0 248.395 3.582 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000185525035 643327024 /nfs/dbraw/zinc/32/70/24/643327024.db2.gz MGNHKKHFSWVVBI-TUVASFSCSA-N 1 0 239.403 3.645 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000185525051 643326967 /nfs/dbraw/zinc/32/69/67/643326967.db2.gz MGNHKKHFSWVVBI-YJNKXOJESA-N 1 0 239.403 3.645 20 30 BHEDRO C=C(C)C[N@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000185563494 388588575 /nfs/dbraw/zinc/58/85/75/388588575.db2.gz CGHPOCXPWGZKRC-UHFFFAOYSA-N 1 0 249.320 3.863 20 30 BHEDRO C#CCCCC[NH2+]Cc1cccc(SCC)c1 ZINC000185574016 643338583 /nfs/dbraw/zinc/33/85/83/643338583.db2.gz ZPTAOUYBOPYORP-UHFFFAOYSA-N 1 0 247.407 3.692 20 30 BHEDRO Cc1ccc2[nH+]ccc(NCCCCC#N)c2c1 ZINC000185632384 134386492 /nfs/dbraw/zinc/38/64/92/134386492.db2.gz DFAXEQZSCGSOAE-UHFFFAOYSA-N 1 0 239.322 3.649 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000185752342 256857390 /nfs/dbraw/zinc/85/73/90/256857390.db2.gz KGQDLKSCDNKWHY-LSDHHAIUSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000185752360 256857777 /nfs/dbraw/zinc/85/77/77/256857777.db2.gz KGQDLKSCDNKWHY-GJZGRUSLSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000185752382 388591033 /nfs/dbraw/zinc/59/10/33/388591033.db2.gz KGQDLKSCDNKWHY-HUUCEWRRSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000185752396 388591006 /nfs/dbraw/zinc/59/10/06/388591006.db2.gz KGQDLKSCDNKWHY-CABCVRRESA-N 1 0 234.387 3.629 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185756651 347213476 /nfs/dbraw/zinc/21/34/76/347213476.db2.gz IBOBNKCFVJVMET-QLFBSQMISA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185756685 347213243 /nfs/dbraw/zinc/21/32/43/347213243.db2.gz IBOBNKCFVJVMET-ILXRZTDVSA-N 1 0 242.366 3.728 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185759018 388591251 /nfs/dbraw/zinc/59/12/51/388591251.db2.gz BKKKTIFHRAVHBG-SOUVJXGZSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185759054 388591115 /nfs/dbraw/zinc/59/11/15/388591115.db2.gz BKKKTIFHRAVHBG-KKUMJFAQSA-N 1 0 236.403 3.873 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000185759082 347213079 /nfs/dbraw/zinc/21/30/79/347213079.db2.gz GVLMBKLIICLNCW-WCQYABFASA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000185759100 347213709 /nfs/dbraw/zinc/21/37/09/347213709.db2.gz GVLMBKLIICLNCW-AAEUAGOBSA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000185759121 347213387 /nfs/dbraw/zinc/21/33/87/347213387.db2.gz GVLMBKLIICLNCW-DGCLKSJQSA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000185759136 347213595 /nfs/dbraw/zinc/21/35/95/347213595.db2.gz GVLMBKLIICLNCW-YPMHNXCESA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000185759163 347213105 /nfs/dbraw/zinc/21/31/05/347213105.db2.gz SONUTDRIZHXVRA-SMDDNHRTSA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000185759183 347213183 /nfs/dbraw/zinc/21/31/83/347213183.db2.gz SONUTDRIZHXVRA-FZMZJTMJSA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000185759202 347213288 /nfs/dbraw/zinc/21/32/88/347213288.db2.gz SONUTDRIZHXVRA-BXUZGUMPSA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000185759224 347213608 /nfs/dbraw/zinc/21/36/08/347213608.db2.gz SONUTDRIZHXVRA-RISCZKNCSA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000185763387 388591117 /nfs/dbraw/zinc/59/11/17/388591117.db2.gz QJENTWRLYOUGMI-LSDHHAIUSA-N 1 0 232.371 3.549 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000185763406 256857102 /nfs/dbraw/zinc/85/71/02/256857102.db2.gz QJENTWRLYOUGMI-GJZGRUSLSA-N 1 0 232.371 3.549 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000185763425 388591041 /nfs/dbraw/zinc/59/10/41/388591041.db2.gz QJENTWRLYOUGMI-HUUCEWRRSA-N 1 0 232.371 3.549 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000185763448 256857484 /nfs/dbraw/zinc/85/74/84/256857484.db2.gz QJENTWRLYOUGMI-CABCVRRESA-N 1 0 232.371 3.549 20 30 BHEDRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185763666 643377172 /nfs/dbraw/zinc/37/71/72/643377172.db2.gz LAXJGQFKSORZIW-MELADBBJSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185763704 643376639 /nfs/dbraw/zinc/37/66/39/643376639.db2.gz LAXJGQFKSORZIW-IHRRRGAJSA-N 1 0 222.376 3.627 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000185763908 347213735 /nfs/dbraw/zinc/21/37/35/347213735.db2.gz GQSSGPOCFJJBKH-GXTWGEPZSA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000185763929 347213258 /nfs/dbraw/zinc/21/32/58/347213258.db2.gz GQSSGPOCFJJBKH-JSGCOSHPSA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000185763949 134932428 /nfs/dbraw/zinc/93/24/28/134932428.db2.gz GQSSGPOCFJJBKH-TZMCWYRMSA-N 1 0 248.757 3.512 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000185763965 136275247 /nfs/dbraw/zinc/27/52/47/136275247.db2.gz GQSSGPOCFJJBKH-OCCSQVGLSA-N 1 0 248.757 3.512 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185787302 347214481 /nfs/dbraw/zinc/21/44/81/347214481.db2.gz MMYBJWGHQBTFLG-IJEWVQPXSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185787320 347214027 /nfs/dbraw/zinc/21/40/27/347214027.db2.gz MMYBJWGHQBTFLG-OFQRWUPVSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185787338 347214567 /nfs/dbraw/zinc/21/45/67/347214567.db2.gz MMYBJWGHQBTFLG-YCPHGPKFSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185787359 134932969 /nfs/dbraw/zinc/93/29/69/134932969.db2.gz MMYBJWGHQBTFLG-DZKIICNBSA-N 1 0 242.366 3.728 20 30 BHEDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCCC#N ZINC000185797028 398091687 /nfs/dbraw/zinc/09/16/87/398091687.db2.gz QKWCTKZUMLKXST-MRXNPFEDSA-N 1 0 242.366 3.517 20 30 BHEDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCCCC#N ZINC000185797044 398091531 /nfs/dbraw/zinc/09/15/31/398091531.db2.gz QKWCTKZUMLKXST-INIZCTEOSA-N 1 0 242.366 3.517 20 30 BHEDRO CC(C)(C)CCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185818533 256858229 /nfs/dbraw/zinc/85/82/29/256858229.db2.gz FVMXEKNSEYHIFI-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C)CCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185818553 388592240 /nfs/dbraw/zinc/59/22/40/388592240.db2.gz FVMXEKNSEYHIFI-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C)CCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185818573 388592400 /nfs/dbraw/zinc/59/24/00/388592400.db2.gz FVMXEKNSEYHIFI-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C)CCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185818590 388592221 /nfs/dbraw/zinc/59/22/21/388592221.db2.gz FVMXEKNSEYHIFI-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185839037 388592142 /nfs/dbraw/zinc/59/21/42/388592142.db2.gz MDGVOJGRZIEONN-HZSPNIEDSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185839072 388592429 /nfs/dbraw/zinc/59/24/29/388592429.db2.gz MDGVOJGRZIEONN-RDBSUJKOSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185840653 388592178 /nfs/dbraw/zinc/59/21/78/388592178.db2.gz SAYOZWZYYFSZCW-CBBWQLFWSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185841328 388591889 /nfs/dbraw/zinc/59/18/89/388591889.db2.gz PWYOCNNMPFSNNQ-KCQAQPDRSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185841366 388591593 /nfs/dbraw/zinc/59/15/93/388591593.db2.gz PWYOCNNMPFSNNQ-YDHLFZDLSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185841659 388591972 /nfs/dbraw/zinc/59/19/72/388591972.db2.gz URJDJXUASVXSKD-GXTWGEPZSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185841677 256858482 /nfs/dbraw/zinc/85/84/82/256858482.db2.gz URJDJXUASVXSKD-JSGCOSHPSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185841697 388591571 /nfs/dbraw/zinc/59/15/71/388591571.db2.gz URJDJXUASVXSKD-TZMCWYRMSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185841720 388592150 /nfs/dbraw/zinc/59/21/50/388592150.db2.gz URJDJXUASVXSKD-OCCSQVGLSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)CC(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185853579 256858252 /nfs/dbraw/zinc/85/82/52/256858252.db2.gz IVLYCVAFRNWFAP-UONOGXRCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185853595 388592245 /nfs/dbraw/zinc/59/22/45/388592245.db2.gz IVLYCVAFRNWFAP-KBPBESRZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185853615 256858238 /nfs/dbraw/zinc/85/82/38/256858238.db2.gz IVLYCVAFRNWFAP-ZIAGYGMSSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CC(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185853628 388592205 /nfs/dbraw/zinc/59/22/05/388592205.db2.gz IVLYCVAFRNWFAP-KGLIPLIRSA-N 1 0 236.403 3.731 20 30 BHEDRO CCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000185855881 256858034 /nfs/dbraw/zinc/85/80/34/256858034.db2.gz RFVROLUKCSCRTI-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000185855901 388591616 /nfs/dbraw/zinc/59/16/16/388591616.db2.gz RFVROLUKCSCRTI-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000185855918 388592452 /nfs/dbraw/zinc/59/24/52/388592452.db2.gz RFVROLUKCSCRTI-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000185855939 256858191 /nfs/dbraw/zinc/85/81/91/256858191.db2.gz RFVROLUKCSCRTI-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)CC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC1 ZINC000185857456 398092006 /nfs/dbraw/zinc/09/20/06/398092006.db2.gz WRBUFSPNYJULJE-LSDHHAIUSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC1 ZINC000185857473 256858104 /nfs/dbraw/zinc/85/81/04/256858104.db2.gz WRBUFSPNYJULJE-GJZGRUSLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000185857490 256858453 /nfs/dbraw/zinc/85/84/53/256858453.db2.gz WRBUFSPNYJULJE-HUUCEWRRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000185857512 398091518 /nfs/dbraw/zinc/09/15/18/398091518.db2.gz WRBUFSPNYJULJE-CABCVRRESA-N 1 0 248.414 3.875 20 30 BHEDRO CCCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC1 ZINC000185857541 398091513 /nfs/dbraw/zinc/09/15/13/398091513.db2.gz FCQZAXXAODKNEE-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC1 ZINC000185857557 398091844 /nfs/dbraw/zinc/09/18/44/398091844.db2.gz FCQZAXXAODKNEE-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000185857577 398092016 /nfs/dbraw/zinc/09/20/16/398092016.db2.gz FCQZAXXAODKNEE-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000185857594 398091739 /nfs/dbraw/zinc/09/17/39/398091739.db2.gz FCQZAXXAODKNEE-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185858989 388592831 /nfs/dbraw/zinc/59/28/31/388592831.db2.gz JIQLRBHWGASXOE-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185859008 388592960 /nfs/dbraw/zinc/59/29/60/388592960.db2.gz JIQLRBHWGASXOE-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185859028 256859144 /nfs/dbraw/zinc/85/91/44/256859144.db2.gz JIQLRBHWGASXOE-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185859045 256859146 /nfs/dbraw/zinc/85/91/46/256859146.db2.gz JIQLRBHWGASXOE-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185860599 398091907 /nfs/dbraw/zinc/09/19/07/398091907.db2.gz MPQWTYHBDVWKQT-MJBXVCDLSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185860633 256859059 /nfs/dbraw/zinc/85/90/59/256859059.db2.gz MPQWTYHBDVWKQT-IHRRRGAJSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)C1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185862199 388592784 /nfs/dbraw/zinc/59/27/84/388592784.db2.gz VRLNLWWGTQYLCV-SLTXQBBLSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)C1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185862221 388593087 /nfs/dbraw/zinc/59/30/87/388593087.db2.gz VRLNLWWGTQYLCV-LBDPXKHJSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)C1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185862239 398091822 /nfs/dbraw/zinc/09/18/22/398091822.db2.gz VRLNLWWGTQYLCV-PRLABOORSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)C1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185862254 398091592 /nfs/dbraw/zinc/09/15/92/398091592.db2.gz VRLNLWWGTQYLCV-LMPOIIKSSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000185870898 398092468 /nfs/dbraw/zinc/09/24/68/398092468.db2.gz BZSODERFRVKFMG-DZGCQCFKSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000185870919 398092260 /nfs/dbraw/zinc/09/22/60/398092260.db2.gz BZSODERFRVKFMG-ZFWWWQNUSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000185870937 388592974 /nfs/dbraw/zinc/59/29/74/388592974.db2.gz BZSODERFRVKFMG-UKRRQHHQSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000185870955 388592739 /nfs/dbraw/zinc/59/27/39/388592739.db2.gz BZSODERFRVKFMG-HIFRSBDPSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC(C)(C)C1 ZINC000186113709 387512086 /nfs/dbraw/zinc/51/20/86/387512086.db2.gz XVTIMABSJOEAKG-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO C=CCCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186178683 387074548 /nfs/dbraw/zinc/07/45/48/387074548.db2.gz OBCBWMBPRBDGCB-UHFFFAOYSA-N 1 0 227.351 3.500 20 30 BHEDRO Cc1cc(C#N)ccc1C[N@@H+](C(C)C)C1CCC1 ZINC000186297051 384833489 /nfs/dbraw/zinc/83/34/89/384833489.db2.gz JZMKJLZFEVZQPU-UHFFFAOYSA-N 1 0 242.366 3.630 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000186321826 346503612 /nfs/dbraw/zinc/50/36/12/346503612.db2.gz CXIBITXCJKVVKS-LBPRGKRZSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000186321842 346503501 /nfs/dbraw/zinc/50/35/01/346503501.db2.gz CXIBITXCJKVVKS-GFCCVEGCSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000186322787 346503216 /nfs/dbraw/zinc/50/32/16/346503216.db2.gz ILFHGHSFRLDXBC-LBPRGKRZSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000186322802 346503247 /nfs/dbraw/zinc/50/32/47/346503247.db2.gz ILFHGHSFRLDXBC-GFCCVEGCSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000186408416 349428521 /nfs/dbraw/zinc/42/85/21/349428521.db2.gz JVCOFZBIIQUMSO-WDEREUQCSA-N 1 0 238.400 3.882 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000186408431 349428423 /nfs/dbraw/zinc/42/84/23/349428423.db2.gz JVCOFZBIIQUMSO-QWRGUYRKSA-N 1 0 238.400 3.882 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000186408445 349428115 /nfs/dbraw/zinc/42/81/15/349428115.db2.gz JVCOFZBIIQUMSO-GHMZBOCLSA-N 1 0 238.400 3.882 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000186408465 349428102 /nfs/dbraw/zinc/42/81/02/349428102.db2.gz JVCOFZBIIQUMSO-MNOVXSKESA-N 1 0 238.400 3.882 20 30 BHEDRO C=C(C)[C@@H]([NH2+]C(C)C)c1ccc(F)c(F)c1 ZINC000186446905 385761163 /nfs/dbraw/zinc/76/11/63/385761163.db2.gz OAOANKSRNVASTQ-CYBMUJFWSA-N 1 0 225.282 3.580 20 30 BHEDRO C=C(C)[C@H]([NH2+]C(C)C)c1ccc(F)c(F)c1 ZINC000186446923 385761234 /nfs/dbraw/zinc/76/12/34/385761234.db2.gz OAOANKSRNVASTQ-ZDUSSCGKSA-N 1 0 225.282 3.580 20 30 BHEDRO C[N@H+](Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000186515564 386992579 /nfs/dbraw/zinc/99/25/79/386992579.db2.gz VAYLHQGBRLDMLA-UHFFFAOYSA-N 1 0 248.757 3.586 20 30 BHEDRO CC[C@@H](C[N@H+](CC)CCCC#N)c1ccccc1 ZINC000186623291 387117019 /nfs/dbraw/zinc/11/70/19/387117019.db2.gz HEQDQUFLSDJBQW-HNNXBMFYSA-N 1 0 244.382 3.806 20 30 BHEDRO CC[C@H](C[N@H+](CC)CCCC#N)c1ccccc1 ZINC000186623308 387117432 /nfs/dbraw/zinc/11/74/32/387117432.db2.gz HEQDQUFLSDJBQW-OAHLLOKOSA-N 1 0 244.382 3.806 20 30 BHEDRO CC(C)[N@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000186666744 387050159 /nfs/dbraw/zinc/05/01/59/387050159.db2.gz GDWDBSDGYLMTHO-UHFFFAOYSA-N 1 0 248.757 3.584 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCCCSC ZINC000186776837 385793871 /nfs/dbraw/zinc/79/38/71/385793871.db2.gz UFYKIZIJZMKLEQ-QWHCGFSZSA-N 1 0 229.433 3.710 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCCCSC ZINC000186776856 205723331 /nfs/dbraw/zinc/72/33/31/205723331.db2.gz UFYKIZIJZMKLEQ-CHWSQXEVSA-N 1 0 229.433 3.710 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCCCSC ZINC000186776877 385793834 /nfs/dbraw/zinc/79/38/34/385793834.db2.gz UFYKIZIJZMKLEQ-STQMWFEESA-N 1 0 229.433 3.710 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCCCSC ZINC000186776894 383997507 /nfs/dbraw/zinc/99/75/07/383997507.db2.gz UFYKIZIJZMKLEQ-OLZOCXBDSA-N 1 0 229.433 3.710 20 30 BHEDRO C=C(C)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186908077 387145767 /nfs/dbraw/zinc/14/57/67/387145767.db2.gz LCWUGRFJPQTMJS-UHFFFAOYSA-N 1 0 221.369 3.504 20 30 BHEDRO CC1(C)CCCN1Cc1ccc(Cl)cc1C#N ZINC000186942267 384091141 /nfs/dbraw/zinc/09/11/41/384091141.db2.gz VDNZJIMHEWZIHP-UHFFFAOYSA-N 1 0 248.757 3.586 20 30 BHEDRO N#CCCCC[NH+]1CCC(c2ccsc2)CC1 ZINC000186955990 134936024 /nfs/dbraw/zinc/93/60/24/134936024.db2.gz BCJPRUUNGFNSCW-UHFFFAOYSA-N 1 0 248.395 3.621 20 30 BHEDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCCC#N ZINC000187156461 347250544 /nfs/dbraw/zinc/25/05/44/347250544.db2.gz KIGRLXZHTRNQLD-MRXNPFEDSA-N 1 0 244.382 3.537 20 30 BHEDRO CC(C)[C@H](Cc1ccccc1)[NH2+]CCCCC#N ZINC000187156480 347250000 /nfs/dbraw/zinc/25/00/00/347250000.db2.gz KIGRLXZHTRNQLD-INIZCTEOSA-N 1 0 244.382 3.537 20 30 BHEDRO C=C(C)[C@H]([NH2+]CC1CC1)c1ccc(F)c(F)c1 ZINC000187375645 388608392 /nfs/dbraw/zinc/60/83/92/388608392.db2.gz LFTFAOUEWVVYEF-AWEZNQCLSA-N 1 0 237.293 3.582 20 30 BHEDRO C=C(C)[C@@H]([NH2+]CC1CC1)c1ccc(F)c(F)c1 ZINC000187375664 388608312 /nfs/dbraw/zinc/60/83/12/388608312.db2.gz LFTFAOUEWVVYEF-CQSZACIVSA-N 1 0 237.293 3.582 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187422416 386013877 /nfs/dbraw/zinc/01/38/77/386013877.db2.gz RRTHDCYMKRQMHK-STQMWFEESA-N 1 0 241.444 3.853 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187422438 386013284 /nfs/dbraw/zinc/01/32/84/386013284.db2.gz RRTHDCYMKRQMHK-OLZOCXBDSA-N 1 0 241.444 3.853 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000187422451 386012909 /nfs/dbraw/zinc/01/29/09/386012909.db2.gz RRTHDCYMKRQMHK-QWHCGFSZSA-N 1 0 241.444 3.853 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000187422467 386013280 /nfs/dbraw/zinc/01/32/80/386013280.db2.gz RRTHDCYMKRQMHK-CHWSQXEVSA-N 1 0 241.444 3.853 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1CCCC1 ZINC000187664747 384234756 /nfs/dbraw/zinc/23/47/56/384234756.db2.gz ZSPSYRZXFUXZPO-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1CCCC1 ZINC000187664763 205812038 /nfs/dbraw/zinc/81/20/38/205812038.db2.gz ZSPSYRZXFUXZPO-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)N1Cc2ccccc2C1 ZINC000187678732 384367908 /nfs/dbraw/zinc/36/79/08/384367908.db2.gz GLKKWUDGFCRKLG-CYBMUJFWSA-N 1 0 248.329 3.635 20 30 BHEDRO C=CC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187689715 386576470 /nfs/dbraw/zinc/57/64/70/386576470.db2.gz GMTQOYQPIYLNBX-ZDUSSCGKSA-N 1 0 240.350 3.517 20 30 BHEDRO C=CC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187689737 386578044 /nfs/dbraw/zinc/57/80/44/386578044.db2.gz GMTQOYQPIYLNBX-CYBMUJFWSA-N 1 0 240.350 3.517 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000187694274 384594408 /nfs/dbraw/zinc/59/44/08/384594408.db2.gz HMXIBDOKDTYDMO-RDBSUJKOSA-N 1 0 242.366 3.597 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187697273 384298748 /nfs/dbraw/zinc/29/87/48/384298748.db2.gz YZNGIADSAOBFCM-ZDUSSCGKSA-N 1 0 228.339 3.517 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187697291 384299080 /nfs/dbraw/zinc/29/90/80/384299080.db2.gz YZNGIADSAOBFCM-CYBMUJFWSA-N 1 0 228.339 3.517 20 30 BHEDRO CCC[C@H]([NH2+]CCCCC#N)c1ccsc1 ZINC000187697389 386577823 /nfs/dbraw/zinc/57/78/23/386577823.db2.gz TTZMAZCWXMGXTR-ZDUSSCGKSA-N 1 0 236.384 3.873 20 30 BHEDRO CCC[C@@H]([NH2+]CCCCC#N)c1ccsc1 ZINC000187697406 386576606 /nfs/dbraw/zinc/57/66/06/386576606.db2.gz TTZMAZCWXMGXTR-CYBMUJFWSA-N 1 0 236.384 3.873 20 30 BHEDRO C#CCCC[NH2+][C@@H](CCC)c1ccsc1 ZINC000187738292 632600629 /nfs/dbraw/zinc/60/06/29/632600629.db2.gz DYVYCLKTOMMFIJ-ZDUSSCGKSA-N 1 0 221.369 3.592 20 30 BHEDRO C#CCCC[NH2+][C@H](CCC)c1ccsc1 ZINC000187738311 632600924 /nfs/dbraw/zinc/60/09/24/632600924.db2.gz DYVYCLKTOMMFIJ-CYBMUJFWSA-N 1 0 221.369 3.592 20 30 BHEDRO C=C(Cl)C[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000187779939 641725667 /nfs/dbraw/zinc/72/56/67/641725667.db2.gz STQMWXPQQMQWAB-NSHDSACASA-N 1 0 243.803 3.754 20 30 BHEDRO C=C(Cl)C[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000187779962 634120509 /nfs/dbraw/zinc/12/05/09/634120509.db2.gz STQMWXPQQMQWAB-LLVKDONJSA-N 1 0 243.803 3.754 20 30 BHEDRO C=C(C)[C@H]([NH2+]CCCF)c1ccc(F)c(F)c1 ZINC000187788854 384311014 /nfs/dbraw/zinc/31/10/14/384311014.db2.gz XWBHNSRWMQCWIJ-ZDUSSCGKSA-N 1 0 243.272 3.531 20 30 BHEDRO C=C(C)[C@@H]([NH2+]CCCF)c1ccc(F)c(F)c1 ZINC000187788876 384311266 /nfs/dbraw/zinc/31/12/66/384311266.db2.gz XWBHNSRWMQCWIJ-CYBMUJFWSA-N 1 0 243.272 3.531 20 30 BHEDRO C=C(C)C[NH2+][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187793949 346445092 /nfs/dbraw/zinc/44/50/92/346445092.db2.gz SQNVIERRPQAOCI-CQSZACIVSA-N 1 0 237.293 3.748 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187793965 346444981 /nfs/dbraw/zinc/44/49/81/346444981.db2.gz SQNVIERRPQAOCI-AWEZNQCLSA-N 1 0 237.293 3.748 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CCC)c1ccsc1 ZINC000187795038 641724896 /nfs/dbraw/zinc/72/48/96/641724896.db2.gz RHZURSCTJPYEHS-AWEZNQCLSA-N 1 0 235.396 3.982 20 30 BHEDRO C#CCCCC[NH2+][C@H](CCC)c1ccsc1 ZINC000187795056 641724981 /nfs/dbraw/zinc/72/49/81/641724981.db2.gz RHZURSCTJPYEHS-CQSZACIVSA-N 1 0 235.396 3.982 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000187921849 259371297 /nfs/dbraw/zinc/37/12/97/259371297.db2.gz GGGUCRVMVWFZEZ-KGLIPLIRSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@H](C)C1 ZINC000187921877 259371324 /nfs/dbraw/zinc/37/13/24/259371324.db2.gz GGGUCRVMVWFZEZ-KBPBESRZSA-N 1 0 242.366 3.741 20 30 BHEDRO C=CC[C@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000187937949 385963476 /nfs/dbraw/zinc/96/34/76/385963476.db2.gz XPLHOWNOFMBOLB-HNNXBMFYSA-N 1 0 247.382 3.790 20 30 BHEDRO C=CC[C@@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000187937977 385963282 /nfs/dbraw/zinc/96/32/82/385963282.db2.gz XPLHOWNOFMBOLB-OAHLLOKOSA-N 1 0 247.382 3.790 20 30 BHEDRO CC[C@H]([NH2+]CCCCC#N)c1cccc(F)c1 ZINC000187950812 347269660 /nfs/dbraw/zinc/26/96/60/347269660.db2.gz LEIUGIRDPFYJIE-AWEZNQCLSA-N 1 0 234.318 3.560 20 30 BHEDRO CC[C@@H]([NH2+]CCCCC#N)c1cccc(F)c1 ZINC000187950844 347269496 /nfs/dbraw/zinc/26/94/96/347269496.db2.gz LEIUGIRDPFYJIE-CQSZACIVSA-N 1 0 234.318 3.560 20 30 BHEDRO CC(C)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000188082950 259373574 /nfs/dbraw/zinc/37/35/74/259373574.db2.gz SVJVNXPRCQRXLC-ZDUSSCGKSA-N 1 0 230.355 3.597 20 30 BHEDRO CC(C)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000188082973 259373337 /nfs/dbraw/zinc/37/33/37/259373337.db2.gz SVJVNXPRCQRXLC-CYBMUJFWSA-N 1 0 230.355 3.597 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000188232242 641748704 /nfs/dbraw/zinc/74/87/04/641748704.db2.gz PIHUXIDYMOUZQO-HNNXBMFYSA-N 1 0 233.330 3.670 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1cccc(F)c1 ZINC000188232272 641750216 /nfs/dbraw/zinc/75/02/16/641750216.db2.gz PIHUXIDYMOUZQO-OAHLLOKOSA-N 1 0 233.330 3.670 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc2nc(C)ccc2c1 ZINC000188302152 386356683 /nfs/dbraw/zinc/35/66/83/386356683.db2.gz IARQFTNVPCNYKC-UHFFFAOYSA-N 1 0 240.350 3.551 20 30 BHEDRO CCC1(CC)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000188660110 357571523 /nfs/dbraw/zinc/57/15/23/357571523.db2.gz HKUKPCZRBDDBSF-UHFFFAOYSA-N 1 0 246.354 3.553 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC(C)(C)OCC ZINC000188683672 384125671 /nfs/dbraw/zinc/12/56/71/384125671.db2.gz LHYWRVQYGNOSLR-ZDUSSCGKSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC(C)(C)OCC ZINC000188683695 219899294 /nfs/dbraw/zinc/89/92/94/219899294.db2.gz LHYWRVQYGNOSLR-CYBMUJFWSA-N 1 0 227.392 3.526 20 30 BHEDRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189159940 259543168 /nfs/dbraw/zinc/54/31/68/259543168.db2.gz VRMQWSPCPKZRLK-OLZOCXBDSA-N 1 0 230.355 3.597 20 30 BHEDRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189159962 385095304 /nfs/dbraw/zinc/09/53/04/385095304.db2.gz VRMQWSPCPKZRLK-STQMWFEESA-N 1 0 230.355 3.597 20 30 BHEDRO C=CC[C@H](C)[NH2+]CC1(CCOC)CCCCC1 ZINC000189215050 346863789 /nfs/dbraw/zinc/86/37/89/346863789.db2.gz FMPLICXJYHPQKQ-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@@H](C)[NH2+]CC1(CCOC)CCCCC1 ZINC000189215070 346863980 /nfs/dbraw/zinc/86/39/80/346863980.db2.gz FMPLICXJYHPQKQ-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189233383 385145576 /nfs/dbraw/zinc/14/55/76/385145576.db2.gz AHLRLUKYIQRNJL-UONOGXRCSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189233404 385146952 /nfs/dbraw/zinc/14/69/52/385146952.db2.gz AHLRLUKYIQRNJL-KBPBESRZSA-N 1 0 242.366 3.741 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCC1CC(OCC)C1 ZINC000189258072 324193388 /nfs/dbraw/zinc/19/33/88/324193388.db2.gz GQYFOFUAOJFQOI-SLTAFYQDSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCC1CC(OCC)C1 ZINC000189258094 324193504 /nfs/dbraw/zinc/19/35/04/324193504.db2.gz GQYFOFUAOJFQOI-SHARSMKWSA-N 1 0 239.403 3.526 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000189343871 385155342 /nfs/dbraw/zinc/15/53/42/385155342.db2.gz DEYMRNOTCBLISD-MJBXVCDLSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000189343910 385156483 /nfs/dbraw/zinc/15/64/83/385156483.db2.gz DEYMRNOTCBLISD-MCIONIFRSA-N 1 0 242.366 3.597 20 30 BHEDRO CC(C)C(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000189471365 385158610 /nfs/dbraw/zinc/15/86/10/385158610.db2.gz YTORHAIJHNMUHS-UHFFFAOYSA-N 1 0 224.392 3.588 20 30 BHEDRO CCCC[N@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000189756231 385293951 /nfs/dbraw/zinc/29/39/51/385293951.db2.gz XGEISVYQHOVJRZ-ZDUSSCGKSA-N 1 0 230.355 3.741 20 30 BHEDRO CCCC[N@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000189756246 385294188 /nfs/dbraw/zinc/29/41/88/385294188.db2.gz XGEISVYQHOVJRZ-CYBMUJFWSA-N 1 0 230.355 3.741 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000189768922 188080740 /nfs/dbraw/zinc/08/07/40/188080740.db2.gz AFXSXRKAQGRZHJ-ZDUSSCGKSA-N 1 0 228.339 3.517 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000189768938 188254136 /nfs/dbraw/zinc/25/41/36/188254136.db2.gz AFXSXRKAQGRZHJ-CYBMUJFWSA-N 1 0 228.339 3.517 20 30 BHEDRO CC[N@H+](CC(C)C)[C@@H](C)c1cccc(C#N)c1 ZINC000189783012 385299386 /nfs/dbraw/zinc/29/93/86/385299386.db2.gz IEESOYMXRURMJO-ZDUSSCGKSA-N 1 0 230.355 3.597 20 30 BHEDRO CC[N@H+](CC(C)C)[C@H](C)c1cccc(C#N)c1 ZINC000189783037 385298649 /nfs/dbraw/zinc/29/86/49/385298649.db2.gz IEESOYMXRURMJO-CYBMUJFWSA-N 1 0 230.355 3.597 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000189810854 385306623 /nfs/dbraw/zinc/30/66/23/385306623.db2.gz LQYUDHUXZSLHEX-KGLIPLIRSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C)CC1 ZINC000189810871 385306331 /nfs/dbraw/zinc/30/63/31/385306331.db2.gz LQYUDHUXZSLHEX-KBPBESRZSA-N 1 0 242.366 3.741 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189852672 166235082 /nfs/dbraw/zinc/23/50/82/166235082.db2.gz QLUZGXQQURVXMD-ZDUSSCGKSA-N 1 0 236.384 3.555 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189852692 166234230 /nfs/dbraw/zinc/23/42/30/166234230.db2.gz QLUZGXQQURVXMD-CYBMUJFWSA-N 1 0 236.384 3.555 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cncc(C)c1 ZINC000189897778 527129019 /nfs/dbraw/zinc/12/90/19/527129019.db2.gz NXXBWUDUBXSIJO-UHFFFAOYSA-N 1 0 232.371 3.568 20 30 BHEDRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000189991376 385354806 /nfs/dbraw/zinc/35/48/06/385354806.db2.gz FOEKNQIIBNABMB-LBPRGKRZSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000189991397 205888590 /nfs/dbraw/zinc/88/85/90/205888590.db2.gz FOEKNQIIBNABMB-GFCCVEGCSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000189992711 205887835 /nfs/dbraw/zinc/88/78/35/205887835.db2.gz ZVBKECMMKHZBCO-LBPRGKRZSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000189992724 205887110 /nfs/dbraw/zinc/88/71/10/205887110.db2.gz ZVBKECMMKHZBCO-GFCCVEGCSA-N 1 0 230.355 3.645 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCC[C@H]1SCC ZINC000190023645 386144202 /nfs/dbraw/zinc/14/42/02/386144202.db2.gz HHTYYZQMUMJPLX-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000190023665 205887731 /nfs/dbraw/zinc/88/77/31/205887731.db2.gz HHTYYZQMUMJPLX-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000190023683 386144332 /nfs/dbraw/zinc/14/43/32/386144332.db2.gz HHTYYZQMUMJPLX-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000190023701 386144154 /nfs/dbraw/zinc/14/41/54/386144154.db2.gz HHTYYZQMUMJPLX-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000190037875 487659693 /nfs/dbraw/zinc/65/96/93/487659693.db2.gz RYIMPDUYAWMAPC-KGLIPLIRSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@H](C)C1 ZINC000190037895 259561941 /nfs/dbraw/zinc/56/19/41/259561941.db2.gz RYIMPDUYAWMAPC-KBPBESRZSA-N 1 0 242.366 3.741 20 30 BHEDRO C=CCCC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190180819 388647990 /nfs/dbraw/zinc/64/79/90/388647990.db2.gz XULBCIYAPZRNNJ-NSHDSACASA-N 1 0 249.320 3.863 20 30 BHEDRO C=CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190180839 388648910 /nfs/dbraw/zinc/64/89/10/388648910.db2.gz XULBCIYAPZRNNJ-LLVKDONJSA-N 1 0 249.320 3.863 20 30 BHEDRO N#CCCC[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000190316228 388649296 /nfs/dbraw/zinc/64/92/96/388649296.db2.gz LCEREGLIWBMXAM-UHFFFAOYSA-N 1 0 234.387 3.727 20 30 BHEDRO CCC1(CC)CCC[N@H+](CCCC#N)CC1 ZINC000190409342 388650814 /nfs/dbraw/zinc/65/08/14/388650814.db2.gz RJICEIKYQVRAQC-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO CCC1(CC)CCC[N@H+](CCCCC#N)CC1 ZINC000190414604 388651214 /nfs/dbraw/zinc/65/12/14/388651214.db2.gz VWALKIVUVKFVSK-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191104590 259571584 /nfs/dbraw/zinc/57/15/84/259571584.db2.gz XZPGODDOLSRAPT-ZDUSSCGKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191104605 388660303 /nfs/dbraw/zinc/66/03/03/388660303.db2.gz XZPGODDOLSRAPT-CYBMUJFWSA-N 1 0 245.366 3.530 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000191112382 387348183 /nfs/dbraw/zinc/34/81/83/387348183.db2.gz BYEKFNPQNZZKLY-NEPJUHHUSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000191112396 387347991 /nfs/dbraw/zinc/34/79/91/387347991.db2.gz BYEKFNPQNZZKLY-RYUDHWBXSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000191112408 387348097 /nfs/dbraw/zinc/34/80/97/387348097.db2.gz BYEKFNPQNZZKLY-VXGBXAGGSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000191112421 205930107 /nfs/dbraw/zinc/93/01/07/205930107.db2.gz BYEKFNPQNZZKLY-NWDGAFQWSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000191112713 387348428 /nfs/dbraw/zinc/34/84/28/387348428.db2.gz ISWOUDPHIFDITE-YPMHNXCESA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000191112730 387348417 /nfs/dbraw/zinc/34/84/17/387348417.db2.gz ISWOUDPHIFDITE-AAEUAGOBSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000191112749 205930324 /nfs/dbraw/zinc/93/03/24/205930324.db2.gz ISWOUDPHIFDITE-DGCLKSJQSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000191112765 205930510 /nfs/dbraw/zinc/93/05/10/205930510.db2.gz ISWOUDPHIFDITE-WCQYABFASA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@@H](CC[NH2+]Cc1ccc(C#N)o1)CC(C)(C)C ZINC000191116823 205931100 /nfs/dbraw/zinc/93/11/00/205931100.db2.gz CLLFOWCQSJIHKM-LBPRGKRZSA-N 1 0 248.370 3.703 20 30 BHEDRO C[C@H](CC[NH2+]Cc1ccc(C#N)o1)CC(C)(C)C ZINC000191116839 387348582 /nfs/dbraw/zinc/34/85/82/387348582.db2.gz CLLFOWCQSJIHKM-GFCCVEGCSA-N 1 0 248.370 3.703 20 30 BHEDRO CC(C)=CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000191150482 641903950 /nfs/dbraw/zinc/90/39/50/641903950.db2.gz VJXCYASNQIAJJI-UHFFFAOYSA-N 1 0 245.370 3.503 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1csc(Cl)c1 ZINC000191262881 357760169 /nfs/dbraw/zinc/76/01/69/357760169.db2.gz VPFRCSKZAZROJX-VIFPVBQESA-N 1 0 242.775 3.746 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1csc(Cl)c1 ZINC000191262896 355383603 /nfs/dbraw/zinc/38/36/03/355383603.db2.gz VPFRCSKZAZROJX-SECBINFHSA-N 1 0 242.775 3.746 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191368300 388662753 /nfs/dbraw/zinc/66/27/53/388662753.db2.gz CUJYJEXSNFRAKZ-NWDGAFQWSA-N 1 0 249.402 3.562 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191368313 259573880 /nfs/dbraw/zinc/57/38/80/259573880.db2.gz CUJYJEXSNFRAKZ-RYUDHWBXSA-N 1 0 249.402 3.562 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191368328 323176849 /nfs/dbraw/zinc/17/68/49/323176849.db2.gz CUJYJEXSNFRAKZ-VXGBXAGGSA-N 1 0 249.402 3.562 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191368341 388662665 /nfs/dbraw/zinc/66/26/65/388662665.db2.gz CUJYJEXSNFRAKZ-NEPJUHHUSA-N 1 0 249.402 3.562 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191379446 641917632 /nfs/dbraw/zinc/91/76/32/641917632.db2.gz ZTORNCIDFWZAPZ-JTQLQIEISA-N 1 0 241.787 3.856 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191379460 641917600 /nfs/dbraw/zinc/91/76/00/641917600.db2.gz ZTORNCIDFWZAPZ-SNVBAGLBSA-N 1 0 241.787 3.856 20 30 BHEDRO CCCC1CCC([N@H+](C)CCCC#N)CC1 ZINC000191420925 357770296 /nfs/dbraw/zinc/77/02/96/357770296.db2.gz UQCQRXRILXTIBI-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CCCC1CCC([N@H+](C)CCCCC#N)CC1 ZINC000191426058 357770287 /nfs/dbraw/zinc/77/02/87/357770287.db2.gz IIQFCDAKZNWOTE-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191637706 357780441 /nfs/dbraw/zinc/78/04/41/357780441.db2.gz LHZSDYFPYISIKJ-SWLSCSKDSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191637722 357779984 /nfs/dbraw/zinc/77/99/84/357779984.db2.gz LHZSDYFPYISIKJ-IUODEOHRSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191637736 134574263 /nfs/dbraw/zinc/57/42/63/134574263.db2.gz LHZSDYFPYISIKJ-WFASDCNBSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191637754 357780428 /nfs/dbraw/zinc/78/04/28/357780428.db2.gz LHZSDYFPYISIKJ-DOMZBBRYSA-N 1 0 245.366 3.714 20 30 BHEDRO CC(C)C(C[NH2+]CC(C)(C)CCC#N)C(C)C ZINC000191701414 387053049 /nfs/dbraw/zinc/05/30/49/387053049.db2.gz LQOVAXQBRAZJMR-UHFFFAOYSA-N 1 0 238.419 3.834 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191889725 361469886 /nfs/dbraw/zinc/46/98/86/361469886.db2.gz KMDDAFDXGHHMSC-HZPDHXFCSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191889737 361469529 /nfs/dbraw/zinc/46/95/29/361469529.db2.gz KMDDAFDXGHHMSC-CVEARBPZSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000191889747 361469314 /nfs/dbraw/zinc/46/93/14/361469314.db2.gz KMDDAFDXGHHMSC-JKSUJKDBSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000191889757 361468843 /nfs/dbraw/zinc/46/88/43/361468843.db2.gz KMDDAFDXGHHMSC-HOTGVXAUSA-N 1 0 229.367 3.564 20 30 BHEDRO CC(C)C[N@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000191942183 355943720 /nfs/dbraw/zinc/94/37/20/355943720.db2.gz QTQHPRACZXTENY-UHFFFAOYSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)C(C)C ZINC000191967241 357807203 /nfs/dbraw/zinc/80/72/03/357807203.db2.gz MCIVZPWETRQSHO-LBPRGKRZSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)C(C)C ZINC000191967248 357807219 /nfs/dbraw/zinc/80/72/19/357807219.db2.gz MCIVZPWETRQSHO-GFCCVEGCSA-N 1 0 248.345 3.564 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000192035653 353532449 /nfs/dbraw/zinc/53/24/49/353532449.db2.gz KMQBAUXWVTXJRR-RWMBFGLXSA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000192035657 353532634 /nfs/dbraw/zinc/53/26/34/353532634.db2.gz KMQBAUXWVTXJRR-YNEHKIRRSA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000192035662 353532703 /nfs/dbraw/zinc/53/27/03/353532703.db2.gz KMQBAUXWVTXJRR-FRRDWIJNSA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000192035667 353532331 /nfs/dbraw/zinc/53/23/31/353532331.db2.gz KMQBAUXWVTXJRR-JHJVBQTASA-N 1 0 233.355 3.644 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192110808 388674216 /nfs/dbraw/zinc/67/42/16/388674216.db2.gz WNAFJKYUSMKNBC-UHFFFAOYSA-N 1 0 248.345 3.756 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192128650 641965454 /nfs/dbraw/zinc/96/54/54/641965454.db2.gz LFYMWIJVDGEHGN-LSDHHAIUSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192128655 641964599 /nfs/dbraw/zinc/96/45/99/641964599.db2.gz LFYMWIJVDGEHGN-GJZGRUSLSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192128660 641964489 /nfs/dbraw/zinc/96/44/89/641964489.db2.gz LFYMWIJVDGEHGN-HUUCEWRRSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCCC[NH2+][C@H]1CCOC[C@H]1C ZINC000192128665 641965425 /nfs/dbraw/zinc/96/54/25/641965425.db2.gz LFYMWIJVDGEHGN-CABCVRRESA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1cocn1 ZINC000192281496 644141998 /nfs/dbraw/zinc/14/19/98/644141998.db2.gz RNPCTSHDGSPRGP-UHFFFAOYSA-N 1 0 224.348 3.515 20 30 BHEDRO CCCCCCC[C@@H](C)C[NH2+]Cc1cocn1 ZINC000192293316 644143300 /nfs/dbraw/zinc/14/33/00/644143300.db2.gz CLICQPQPMOKSTG-CYBMUJFWSA-N 1 0 238.375 3.761 20 30 BHEDRO CCCCCCC[C@H](C)C[NH2+]Cc1cocn1 ZINC000192293322 644142470 /nfs/dbraw/zinc/14/24/70/644142470.db2.gz CLICQPQPMOKSTG-ZDUSSCGKSA-N 1 0 238.375 3.761 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000192591807 644168059 /nfs/dbraw/zinc/16/80/59/644168059.db2.gz QVBGCXCMHOZYTO-DZGCQCFKSA-N 1 0 234.387 3.771 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000192591821 644167957 /nfs/dbraw/zinc/16/79/57/644167957.db2.gz QVBGCXCMHOZYTO-ZFWWWQNUSA-N 1 0 234.387 3.771 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000192591838 644167908 /nfs/dbraw/zinc/16/79/08/644167908.db2.gz QVBGCXCMHOZYTO-UKRRQHHQSA-N 1 0 234.387 3.771 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000192591853 644167748 /nfs/dbraw/zinc/16/77/48/644167748.db2.gz QVBGCXCMHOZYTO-HIFRSBDPSA-N 1 0 234.387 3.771 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)c(C)o1 ZINC000192774849 387532645 /nfs/dbraw/zinc/53/26/45/387532645.db2.gz TUIOPMLIYGDDQL-FPMFFAJLSA-N 1 0 246.354 3.629 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)c(C)o1 ZINC000192774876 387533935 /nfs/dbraw/zinc/53/39/35/387533935.db2.gz TUIOPMLIYGDDQL-UBHSHLNASA-N 1 0 246.354 3.629 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192819756 205964584 /nfs/dbraw/zinc/96/45/84/205964584.db2.gz YBZKOKLGILDRLB-JJXSEGSLSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000192977621 353576660 /nfs/dbraw/zinc/57/66/60/353576660.db2.gz SXGWUTFGIFYSOB-ZDUSSCGKSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000192977633 135585946 /nfs/dbraw/zinc/58/59/46/135585946.db2.gz SXGWUTFGIFYSOB-CYBMUJFWSA-N 1 0 240.350 3.679 20 30 BHEDRO CC(C)[N@H+](CCCC(C)(C)C#N)CC1CCC1 ZINC000193205461 387178387 /nfs/dbraw/zinc/17/83/87/387178387.db2.gz NFUIKLRTTLBODI-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[NH+]1CCC(C#N)CC1 ZINC000193242631 388697419 /nfs/dbraw/zinc/69/74/19/388697419.db2.gz ZHFZLCBZVZQCLP-HNNXBMFYSA-N 1 0 248.414 3.995 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[NH+]1CCC(C#N)CC1 ZINC000193242646 388697096 /nfs/dbraw/zinc/69/70/96/388697096.db2.gz ZHFZLCBZVZQCLP-OAHLLOKOSA-N 1 0 248.414 3.995 20 30 BHEDRO C[C@H](CC1CCCCC1)[NH2+]Cc1ccc(C#N)o1 ZINC000193274460 388698231 /nfs/dbraw/zinc/69/82/31/388698231.db2.gz YUBSQWPNLZOCIK-GFCCVEGCSA-N 1 0 246.354 3.600 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000193294389 411228362 /nfs/dbraw/zinc/22/83/62/411228362.db2.gz CGZUVGXIPGLRIB-JKSUJKDBSA-N 1 0 246.398 3.939 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000193294401 411228028 /nfs/dbraw/zinc/22/80/28/411228028.db2.gz CGZUVGXIPGLRIB-HOTGVXAUSA-N 1 0 246.398 3.939 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000193294413 385392419 /nfs/dbraw/zinc/39/24/19/385392419.db2.gz CGZUVGXIPGLRIB-HZPDHXFCSA-N 1 0 246.398 3.939 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000193294429 411228164 /nfs/dbraw/zinc/22/81/64/411228164.db2.gz CGZUVGXIPGLRIB-CVEARBPZSA-N 1 0 246.398 3.939 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H](C)C#N ZINC000193312622 367165466 /nfs/dbraw/zinc/16/54/66/367165466.db2.gz ZXLCRGUKVHJGRD-KBPBESRZSA-N 1 0 222.376 3.508 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H](C)C#N ZINC000193312630 367165255 /nfs/dbraw/zinc/16/52/55/367165255.db2.gz ZXLCRGUKVHJGRD-KGLIPLIRSA-N 1 0 222.376 3.508 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[NH2+]C[C@H](C)C#N ZINC000193312644 356898565 /nfs/dbraw/zinc/89/85/65/356898565.db2.gz ZXLCRGUKVHJGRD-UONOGXRCSA-N 1 0 222.376 3.508 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H](C)C#N ZINC000193312659 367165024 /nfs/dbraw/zinc/16/50/24/367165024.db2.gz ZXLCRGUKVHJGRD-ZIAGYGMSSA-N 1 0 222.376 3.508 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000193332778 387202391 /nfs/dbraw/zinc/20/23/91/387202391.db2.gz TYHMZMOREXWMDR-CBBWQLFWSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)C(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000193341141 388857801 /nfs/dbraw/zinc/85/78/01/388857801.db2.gz RASABDZYLQSQDX-UONOGXRCSA-N 1 0 236.403 3.587 20 30 BHEDRO CC(C)C(C[NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000193341151 388857405 /nfs/dbraw/zinc/85/74/05/388857405.db2.gz RASABDZYLQSQDX-KBPBESRZSA-N 1 0 236.403 3.587 20 30 BHEDRO CC(C)C(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000193341163 388857770 /nfs/dbraw/zinc/85/77/70/388857770.db2.gz RASABDZYLQSQDX-ZIAGYGMSSA-N 1 0 236.403 3.587 20 30 BHEDRO CC(C)C(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000193341177 388857574 /nfs/dbraw/zinc/85/75/74/388857574.db2.gz RASABDZYLQSQDX-KGLIPLIRSA-N 1 0 236.403 3.587 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccccc1C ZINC000193425932 388347822 /nfs/dbraw/zinc/34/78/22/388347822.db2.gz GSYDHUKDXZRTQY-CYBMUJFWSA-N 1 0 203.329 3.564 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000193425944 388348167 /nfs/dbraw/zinc/34/81/67/388348167.db2.gz GSYDHUKDXZRTQY-ZDUSSCGKSA-N 1 0 203.329 3.564 20 30 BHEDRO C=CCCCCC[NH2+]C(C)(C)c1nccs1 ZINC000193429048 353593096 /nfs/dbraw/zinc/59/30/96/353593096.db2.gz HHYNKRQTUJKMBU-UHFFFAOYSA-N 1 0 238.400 3.714 20 30 BHEDRO C=CCCCCC[N@@H+](C(C)C)C1CCOCC1 ZINC000193430575 388704399 /nfs/dbraw/zinc/70/43/99/388704399.db2.gz SDCRZCAVYXWOGU-UHFFFAOYSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCCCCC[N@H+](Cc1cccnc1)C1CC1 ZINC000193453995 388705118 /nfs/dbraw/zinc/70/51/18/388705118.db2.gz XNWDHCVVQOPOHH-UHFFFAOYSA-N 1 0 244.382 3.792 20 30 BHEDRO C=CCCCCC[N@H+](Cc1ccncc1)C1CC1 ZINC000193454249 388705113 /nfs/dbraw/zinc/70/51/13/388705113.db2.gz DFGOYNGZIQMZSP-UHFFFAOYSA-N 1 0 244.382 3.792 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000193454468 388705572 /nfs/dbraw/zinc/70/55/72/388705572.db2.gz NYUIEBKXQAIHEZ-MRXNPFEDSA-N 1 0 244.382 3.965 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000193454482 388705052 /nfs/dbraw/zinc/70/50/52/388705052.db2.gz NYUIEBKXQAIHEZ-INIZCTEOSA-N 1 0 244.382 3.965 20 30 BHEDRO C=CCCCCC[N@H+](Cc1ccccn1)C1CC1 ZINC000193467517 388705275 /nfs/dbraw/zinc/70/52/75/388705275.db2.gz URQSXGFNOZIVDD-UHFFFAOYSA-N 1 0 244.382 3.792 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000193495249 388706665 /nfs/dbraw/zinc/70/66/65/388706665.db2.gz JQIAQQPFURWEIE-ZDUSSCGKSA-N 1 0 233.355 3.789 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000193495262 259604266 /nfs/dbraw/zinc/60/42/66/259604266.db2.gz JQIAQQPFURWEIE-CYBMUJFWSA-N 1 0 233.355 3.789 20 30 BHEDRO C[C@@H](CC#N)N(C)Cc1ccc2ccccc2c1 ZINC000193528099 367188641 /nfs/dbraw/zinc/18/86/41/367188641.db2.gz LAJCIGRDPLXRHW-ZDUSSCGKSA-N 1 0 238.334 3.574 20 30 BHEDRO C[C@H](CC#N)N(C)Cc1ccc2ccccc2c1 ZINC000193528116 367188848 /nfs/dbraw/zinc/18/88/48/367188848.db2.gz LAJCIGRDPLXRHW-CYBMUJFWSA-N 1 0 238.334 3.574 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)C1CCCC1 ZINC000193544667 367189496 /nfs/dbraw/zinc/18/94/96/367189496.db2.gz MOPHZEHLNUXXGQ-UHFFFAOYSA-N 1 0 221.369 3.679 20 30 BHEDRO CC[N@H+](CC[C@@H](C)c1ccccc1)C[C@@H](C)C#N ZINC000193761074 387804937 /nfs/dbraw/zinc/80/49/37/387804937.db2.gz XSJCPTWWHKHDCE-LSDHHAIUSA-N 1 0 244.382 3.662 20 30 BHEDRO CC[N@H+](CC[C@H](C)c1ccccc1)C[C@@H](C)C#N ZINC000193761096 387804869 /nfs/dbraw/zinc/80/48/69/387804869.db2.gz XSJCPTWWHKHDCE-GJZGRUSLSA-N 1 0 244.382 3.662 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1(SC)CCC1 ZINC000193807280 398029140 /nfs/dbraw/zinc/02/91/40/398029140.db2.gz SNFJLGXEDQHLBW-LBPRGKRZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1(SC)CCC1 ZINC000193807297 398029508 /nfs/dbraw/zinc/02/95/08/398029508.db2.gz SNFJLGXEDQHLBW-GFCCVEGCSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(SC)CCC1)C1CC1 ZINC000193807442 398029583 /nfs/dbraw/zinc/02/95/83/398029583.db2.gz JJWCOXTYZKQQQK-ZDUSSCGKSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(SC)CCC1)C1CC1 ZINC000193807459 398029177 /nfs/dbraw/zinc/02/91/77/398029177.db2.gz JJWCOXTYZKQQQK-CYBMUJFWSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC1(SC)CC1 ZINC000193816651 206022647 /nfs/dbraw/zinc/02/26/47/206022647.db2.gz OHENORIQOIYQGU-LBPRGKRZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC1(SC)CC1 ZINC000193816664 387809896 /nfs/dbraw/zinc/80/98/96/387809896.db2.gz OHENORIQOIYQGU-GFCCVEGCSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](CC)c1nccs1 ZINC000194358997 206087999 /nfs/dbraw/zinc/08/79/99/206087999.db2.gz UOPUUYPHDGKMBF-LBPRGKRZSA-N 1 0 238.400 3.930 20 30 BHEDRO C=CCCCCC[NH2+][C@H](CC)c1nccs1 ZINC000194359006 206088353 /nfs/dbraw/zinc/08/83/53/206088353.db2.gz UOPUUYPHDGKMBF-GFCCVEGCSA-N 1 0 238.400 3.930 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1nccs1 ZINC000194359026 206087910 /nfs/dbraw/zinc/08/79/10/206087910.db2.gz GVHWVHMPJBILQV-NSHDSACASA-N 1 0 224.373 3.540 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1nc(C)cs1 ZINC000194359056 134149856 /nfs/dbraw/zinc/14/98/56/134149856.db2.gz JFNKFKOUMAOSAP-GFCCVEGCSA-N 1 0 238.400 3.849 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000194359068 134149918 /nfs/dbraw/zinc/14/99/18/134149918.db2.gz JFNKFKOUMAOSAP-LBPRGKRZSA-N 1 0 238.400 3.849 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1ncc(C)s1 ZINC000194359082 347419220 /nfs/dbraw/zinc/41/92/20/347419220.db2.gz XIMRTKXXPLIZNP-GFCCVEGCSA-N 1 0 238.400 3.849 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1ncc(C)s1 ZINC000194359093 353646528 /nfs/dbraw/zinc/64/65/28/353646528.db2.gz XIMRTKXXPLIZNP-LBPRGKRZSA-N 1 0 238.400 3.849 20 30 BHEDRO C=C(C)CN(C)[C@@H](C)c1c(F)cccc1F ZINC000194425721 388732166 /nfs/dbraw/zinc/73/21/66/388732166.db2.gz VITBAUPMMZGIFH-JTQLQIEISA-N 1 0 225.282 3.534 20 30 BHEDRO C=C(C)CN(C)[C@H](C)c1c(F)cccc1F ZINC000194425737 388731718 /nfs/dbraw/zinc/73/17/18/388731718.db2.gz VITBAUPMMZGIFH-SNVBAGLBSA-N 1 0 225.282 3.534 20 30 BHEDRO CSc1ccccc1[C@H](C)[NH2+]CCCCC#N ZINC000194881973 136275981 /nfs/dbraw/zinc/27/59/81/136275981.db2.gz VQKAOMBPGPMMEG-LBPRGKRZSA-N 1 0 248.395 3.753 20 30 BHEDRO CSc1ccccc1[C@@H](C)[NH2+]CCCCC#N ZINC000194881984 136276203 /nfs/dbraw/zinc/27/62/03/136276203.db2.gz VQKAOMBPGPMMEG-GFCCVEGCSA-N 1 0 248.395 3.753 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194925529 488242611 /nfs/dbraw/zinc/24/26/11/488242611.db2.gz LYKOVHLFILNEFW-SWLSCSKDSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194925544 488242722 /nfs/dbraw/zinc/24/27/22/488242722.db2.gz LYKOVHLFILNEFW-IUODEOHRSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000194925554 488242503 /nfs/dbraw/zinc/24/25/03/488242503.db2.gz LYKOVHLFILNEFW-WFASDCNBSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000194925567 488242651 /nfs/dbraw/zinc/24/26/51/488242651.db2.gz LYKOVHLFILNEFW-DOMZBBRYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccccc1SC ZINC000194966633 206114149 /nfs/dbraw/zinc/11/41/49/206114149.db2.gz WXGWDCWSDGSIQE-NSHDSACASA-N 1 0 221.369 3.635 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccccc1SC ZINC000194966648 206114341 /nfs/dbraw/zinc/11/43/41/206114341.db2.gz WXGWDCWSDGSIQE-LLVKDONJSA-N 1 0 221.369 3.635 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)CCc1ccccc1 ZINC000194970537 385542520 /nfs/dbraw/zinc/54/25/20/385542520.db2.gz MQBUWRHMMKFQLY-AWEZNQCLSA-N 1 0 217.356 3.516 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)CCc1ccccc1 ZINC000194970550 388458443 /nfs/dbraw/zinc/45/84/43/388458443.db2.gz MQBUWRHMMKFQLY-CQSZACIVSA-N 1 0 217.356 3.516 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC000194972431 388458520 /nfs/dbraw/zinc/45/85/20/388458520.db2.gz KRIIFDMGVKHVPC-AWEZNQCLSA-N 1 0 203.329 3.646 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](CC)c1ccccc1 ZINC000194972444 388458449 /nfs/dbraw/zinc/45/84/49/388458449.db2.gz KRIIFDMGVKHVPC-CQSZACIVSA-N 1 0 203.329 3.646 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000194985773 388458535 /nfs/dbraw/zinc/45/85/35/388458535.db2.gz MBXBDRQOANOKCS-JTQLQIEISA-N 1 0 225.282 3.534 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000194985784 388458550 /nfs/dbraw/zinc/45/85/50/388458550.db2.gz MBXBDRQOANOKCS-SNVBAGLBSA-N 1 0 225.282 3.534 20 30 BHEDRO CC(C)c1ccc([C@@H](C)N(C)CCC#N)cc1 ZINC000194990417 367328590 /nfs/dbraw/zinc/32/85/90/367328590.db2.gz OHWBUSFXPXCXQL-CYBMUJFWSA-N 1 0 230.355 3.716 20 30 BHEDRO CC(C)c1ccc([C@H](C)N(C)CCC#N)cc1 ZINC000194990430 367328487 /nfs/dbraw/zinc/32/84/87/367328487.db2.gz OHWBUSFXPXCXQL-ZDUSSCGKSA-N 1 0 230.355 3.716 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991550 388747711 /nfs/dbraw/zinc/74/77/11/388747711.db2.gz ZFMLFPFKBZTKMB-JTQLQIEISA-N 1 0 243.272 3.884 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991561 388748135 /nfs/dbraw/zinc/74/81/35/388748135.db2.gz ZFMLFPFKBZTKMB-SNVBAGLBSA-N 1 0 243.272 3.884 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)[C@H](C)CC ZINC000195003851 388692429 /nfs/dbraw/zinc/69/24/29/388692429.db2.gz LJWZYLWFODYORR-LLVKDONJSA-N 1 0 209.358 3.535 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)[C@@H](C)CC ZINC000195003867 388693073 /nfs/dbraw/zinc/69/30/73/388693073.db2.gz LJWZYLWFODYORR-NSHDSACASA-N 1 0 209.358 3.535 20 30 BHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)CC ZINC000195003966 350109385 /nfs/dbraw/zinc/10/93/85/350109385.db2.gz WGYUXKGLCCEEML-ZDUSSCGKSA-N 1 0 230.355 3.569 20 30 BHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CC ZINC000195003982 367330560 /nfs/dbraw/zinc/33/05/60/367330560.db2.gz WGYUXKGLCCEEML-CYBMUJFWSA-N 1 0 230.355 3.569 20 30 BHEDRO CC(C)[N@@H+](Cc1ccc(C#N)s1)CC1CCC1 ZINC000195078662 388459392 /nfs/dbraw/zinc/45/93/92/388459392.db2.gz PWOVQGKLVWESOF-UHFFFAOYSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)[N@@H+](Cc1cc(C#N)cs1)CC1CCC1 ZINC000195079177 388459409 /nfs/dbraw/zinc/45/94/09/388459409.db2.gz WKPDJGYHNIUPDJ-UHFFFAOYSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)[N@H+](CC1CCC1)CC(C)(C)CCC#N ZINC000195080003 388096470 /nfs/dbraw/zinc/09/64/70/388096470.db2.gz VAZFSGHZMGEEEB-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](CCCCC#N)CCCCc1ccccc1 ZINC000195234995 367350375 /nfs/dbraw/zinc/35/03/75/367350375.db2.gz HHHLCAHMSJUWII-UHFFFAOYSA-N 1 0 244.382 3.635 20 30 BHEDRO C=CC[N@@H+](Cc1ccccc1)CC1CCCC1 ZINC000195599418 388508745 /nfs/dbraw/zinc/50/87/45/388508745.db2.gz NTGWSTHNLRUYCV-UHFFFAOYSA-N 1 0 229.367 3.865 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000195608071 526677255 /nfs/dbraw/zinc/67/72/55/526677255.db2.gz QCBJEKMYLWWHGO-ZDUSSCGKSA-N 1 0 221.319 3.689 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000195608073 526677732 /nfs/dbraw/zinc/67/77/32/526677732.db2.gz QCBJEKMYLWWHGO-CYBMUJFWSA-N 1 0 221.319 3.689 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)sc1C ZINC000195686770 388719759 /nfs/dbraw/zinc/71/97/59/388719759.db2.gz PXLVAMJQSDZVPU-UHFFFAOYSA-N 1 0 223.385 3.763 20 30 BHEDRO C=CC[NH+](CC=C)Cc1cc(C)sc1C ZINC000195686791 388719089 /nfs/dbraw/zinc/71/90/89/388719089.db2.gz AXVJVXOYXKADMI-UHFFFAOYSA-N 1 0 221.369 3.539 20 30 BHEDRO C=CC[N@H+](CCc1ccccc1)CC1CCCC1 ZINC000195726781 367378812 /nfs/dbraw/zinc/37/88/12/367378812.db2.gz XQPCTDZUTBZWFZ-UHFFFAOYSA-N 1 0 243.394 3.907 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC000195732453 388577939 /nfs/dbraw/zinc/57/79/39/388577939.db2.gz NOESFEGYNHLUJV-AWEZNQCLSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC000195732454 388578079 /nfs/dbraw/zinc/57/80/79/388578079.db2.gz NOESFEGYNHLUJV-CQSZACIVSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(C)CN(CC)[C@@H](C)c1c(F)cccc1F ZINC000195732553 388720776 /nfs/dbraw/zinc/72/07/76/388720776.db2.gz NFGJJCFDALTQFN-NSHDSACASA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(C)CN(CC)[C@H](C)c1c(F)cccc1F ZINC000195732554 388720560 /nfs/dbraw/zinc/72/05/60/388720560.db2.gz NFGJJCFDALTQFN-LLVKDONJSA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1ccccc1F ZINC000195732565 388720937 /nfs/dbraw/zinc/72/09/37/388720937.db2.gz SUWVHBHCSDGCIH-LBPRGKRZSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1ccccc1F ZINC000195732566 388720510 /nfs/dbraw/zinc/72/05/10/388720510.db2.gz SUWVHBHCSDGCIH-GFCCVEGCSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1ccc(F)c(F)c1 ZINC000195732901 388720230 /nfs/dbraw/zinc/72/02/30/388720230.db2.gz LWALDKYDQBMLLF-NSHDSACASA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1ccc(F)c(F)c1 ZINC000195732902 388721083 /nfs/dbraw/zinc/72/10/83/388721083.db2.gz LWALDKYDQBMLLF-LLVKDONJSA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1ccc(F)cc1F ZINC000195732913 388720218 /nfs/dbraw/zinc/72/02/18/388720218.db2.gz LRQDUBYQEFIKCV-NSHDSACASA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1ccc(F)cc1F ZINC000195732914 386663433 /nfs/dbraw/zinc/66/34/33/386663433.db2.gz LRQDUBYQEFIKCV-LLVKDONJSA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1cc(F)ccc1F ZINC000195732927 388720769 /nfs/dbraw/zinc/72/07/69/388720769.db2.gz JHRUOXMMDPLYOP-NSHDSACASA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1cc(F)ccc1F ZINC000195732928 388720583 /nfs/dbraw/zinc/72/05/83/388720583.db2.gz JHRUOXMMDPLYOP-LLVKDONJSA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1cccc(F)c1 ZINC000195732953 388721014 /nfs/dbraw/zinc/72/10/14/388721014.db2.gz WGJOVHMPJBGVCT-LBPRGKRZSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1cccc(F)c1 ZINC000195732954 388720652 /nfs/dbraw/zinc/72/06/52/388720652.db2.gz WGJOVHMPJBGVCT-GFCCVEGCSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccccc1 ZINC000196357495 385352287 /nfs/dbraw/zinc/35/22/87/385352287.db2.gz GSMCIOTVJSEPSR-JSGCOSHPSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccccc1 ZINC000196357504 527054778 /nfs/dbraw/zinc/05/47/78/527054778.db2.gz GSMCIOTVJSEPSR-GXTWGEPZSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccccc1 ZINC000196357514 385352359 /nfs/dbraw/zinc/35/23/59/385352359.db2.gz GSMCIOTVJSEPSR-TZMCWYRMSA-N 1 0 203.329 3.692 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1csc2ccccc12 ZINC000200957960 589045198 /nfs/dbraw/zinc/04/51/98/589045198.db2.gz QUHWEPUSSDJUFJ-JTQLQIEISA-N 1 0 217.337 3.738 20 30 BHEDRO C=CC[NH2+][C@H](C)c1csc2ccccc12 ZINC000200957988 589045425 /nfs/dbraw/zinc/04/54/25/589045425.db2.gz QUHWEPUSSDJUFJ-SNVBAGLBSA-N 1 0 217.337 3.738 20 30 BHEDRO C=C(C)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000202357099 356416386 /nfs/dbraw/zinc/41/63/86/356416386.db2.gz CIRGPHYOVLSGHV-UHFFFAOYSA-N 1 0 247.357 3.656 20 30 BHEDRO C=CCC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000202357823 358947236 /nfs/dbraw/zinc/94/72/36/358947236.db2.gz YSQZGVSSPMQWGH-UHFFFAOYSA-N 1 0 247.357 3.656 20 30 BHEDRO CC(C)([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000205165166 363082357 /nfs/dbraw/zinc/08/23/57/363082357.db2.gz WCUGZBILXCZDBO-UHFFFAOYSA-N 1 0 249.357 3.563 20 30 BHEDRO C=C(C[NH2+][C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000211842296 256566039 /nfs/dbraw/zinc/56/60/39/256566039.db2.gz NPAQANKDFPLHAE-CJNGLKHVSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000211842370 384906850 /nfs/dbraw/zinc/90/68/50/384906850.db2.gz NPAQANKDFPLHAE-BBRMVZONSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000211842451 384905491 /nfs/dbraw/zinc/90/54/91/384905491.db2.gz NPAQANKDFPLHAE-CZUORRHYSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000211842533 384905691 /nfs/dbraw/zinc/90/56/91/384905691.db2.gz NPAQANKDFPLHAE-XJKSGUPXSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000211877818 383899652 /nfs/dbraw/zinc/89/96/52/383899652.db2.gz NOGFPSUUYOMGGX-GOSISDBHSA-N 1 0 249.357 3.977 20 30 BHEDRO C=C(C[NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000211877898 383900448 /nfs/dbraw/zinc/90/04/48/383900448.db2.gz NOGFPSUUYOMGGX-SFHVURJKSA-N 1 0 249.357 3.977 20 30 BHEDRO C=C(C[NH2+][C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000211887552 383936132 /nfs/dbraw/zinc/93/61/32/383936132.db2.gz HRJPUDMNTHWEGO-CQSZACIVSA-N 1 0 241.334 3.952 20 30 BHEDRO C=C(C[NH2+][C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000211887628 383936506 /nfs/dbraw/zinc/93/65/06/383936506.db2.gz HRJPUDMNTHWEGO-AWEZNQCLSA-N 1 0 241.334 3.952 20 30 BHEDRO C=C(C[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000211893400 383994280 /nfs/dbraw/zinc/99/42/80/383994280.db2.gz AJEIXEUVKHBQFS-HNNXBMFYSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000211893467 383994447 /nfs/dbraw/zinc/99/44/47/383994447.db2.gz AJEIXEUVKHBQFS-OAHLLOKOSA-N 1 0 229.367 3.868 20 30 BHEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000213415184 388388998 /nfs/dbraw/zinc/38/89/98/388388998.db2.gz DJJSVCPBWZYZKD-MRXNPFEDSA-N 1 0 242.366 3.713 20 30 BHEDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000213415237 388389022 /nfs/dbraw/zinc/38/90/22/388389022.db2.gz DJJSVCPBWZYZKD-INIZCTEOSA-N 1 0 242.366 3.713 20 30 BHEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000213415480 386780136 /nfs/dbraw/zinc/78/01/36/386780136.db2.gz FVUWCQLWWUJSIT-MRXNPFEDSA-N 1 0 242.366 3.713 20 30 BHEDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000213415536 388388406 /nfs/dbraw/zinc/38/84/06/388388406.db2.gz FVUWCQLWWUJSIT-INIZCTEOSA-N 1 0 242.366 3.713 20 30 BHEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000213426323 323150315 /nfs/dbraw/zinc/15/03/15/323150315.db2.gz SHXVQFWYOGNULF-MRXNPFEDSA-N 1 0 242.366 3.713 20 30 BHEDRO CCC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000213426380 323150348 /nfs/dbraw/zinc/15/03/48/323150348.db2.gz SHXVQFWYOGNULF-INIZCTEOSA-N 1 0 242.366 3.713 20 30 BHEDRO CCC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000213529282 323151645 /nfs/dbraw/zinc/15/16/45/323151645.db2.gz MSCDISUWUGQLGC-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000213529344 323151650 /nfs/dbraw/zinc/15/16/50/323151650.db2.gz MSCDISUWUGQLGC-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000215634419 583168292 /nfs/dbraw/zinc/16/82/92/583168292.db2.gz IXQPLHISSTVZOY-CYBMUJFWSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000215634470 591961233 /nfs/dbraw/zinc/96/12/33/591961233.db2.gz IXQPLHISSTVZOY-ZDUSSCGKSA-N 1 0 227.392 3.504 20 30 BHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)CC ZINC000215665027 384507288 /nfs/dbraw/zinc/50/72/88/384507288.db2.gz GBGRIWJFKZYKAW-AWEZNQCLSA-N 1 0 244.382 3.816 20 30 BHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)CC ZINC000215665075 388346650 /nfs/dbraw/zinc/34/66/50/388346650.db2.gz GBGRIWJFKZYKAW-CQSZACIVSA-N 1 0 244.382 3.816 20 30 BHEDRO C=CC[NH+](CC=C)CC[C@H](C)c1ccccc1 ZINC000217557703 343119945 /nfs/dbraw/zinc/11/99/45/343119945.db2.gz ABIFXNGFMXIYSZ-HNNXBMFYSA-N 1 0 229.367 3.854 20 30 BHEDRO C=CC[NH+](CC=C)CC[C@@H](C)c1ccccc1 ZINC000217557781 343120235 /nfs/dbraw/zinc/12/02/35/343120235.db2.gz ABIFXNGFMXIYSZ-OAHLLOKOSA-N 1 0 229.367 3.854 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000218004141 388576152 /nfs/dbraw/zinc/57/61/52/388576152.db2.gz JISFRFXNPKLZDW-XJKCOSOUSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000218004235 388384853 /nfs/dbraw/zinc/38/48/53/388384853.db2.gz JISFRFXNPKLZDW-IOASZLSFSA-N 1 0 242.366 3.788 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000218263755 592153606 /nfs/dbraw/zinc/15/36/06/592153606.db2.gz ILEYXXFQGZICHS-JTQLQIEISA-N 1 0 239.721 3.543 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000218263823 583943738 /nfs/dbraw/zinc/94/37/38/583943738.db2.gz ILEYXXFQGZICHS-SNVBAGLBSA-N 1 0 239.721 3.543 20 30 BHEDRO C=CCSCCNc1cc[nH+]c2ccccc12 ZINC000218872654 134265708 /nfs/dbraw/zinc/26/57/08/134265708.db2.gz YURYVWPMTMUIAE-UHFFFAOYSA-N 1 0 244.363 3.566 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000218971855 388586452 /nfs/dbraw/zinc/58/64/52/388586452.db2.gz NCUFJQFFYVXFOA-UHFFFAOYSA-N 1 0 242.366 3.736 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)c1nccnc1C ZINC000219183364 711748330 /nfs/dbraw/zinc/74/83/30/711748330.db2.gz XVQXIIRGTZFQER-ZDUSSCGKSA-N 1 0 249.402 3.796 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)c1nccnc1C ZINC000219183445 711748298 /nfs/dbraw/zinc/74/82/98/711748298.db2.gz XVQXIIRGTZFQER-CYBMUJFWSA-N 1 0 249.402 3.796 20 30 BHEDRO C#CCCC[NH2+][C@@H](CCCC)c1ccccc1 ZINC000219246662 592220772 /nfs/dbraw/zinc/22/07/72/592220772.db2.gz JSIBXIUMKMKHPR-INIZCTEOSA-N 1 0 229.367 3.921 20 30 BHEDRO C#CCCC[NH2+][C@H](CCCC)c1ccccc1 ZINC000219246730 592220720 /nfs/dbraw/zinc/22/07/20/592220720.db2.gz JSIBXIUMKMKHPR-MRXNPFEDSA-N 1 0 229.367 3.921 20 30 BHEDRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000219272494 384326183 /nfs/dbraw/zinc/32/61/83/384326183.db2.gz RLAKQGAKNRWCOV-ZDUSSCGKSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000219272539 256856682 /nfs/dbraw/zinc/85/66/82/256856682.db2.gz RLAKQGAKNRWCOV-CYBMUJFWSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000219274349 384324903 /nfs/dbraw/zinc/32/49/03/384324903.db2.gz DXHMXQLSHCRCSJ-ZDUSSCGKSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000219274395 384326772 /nfs/dbraw/zinc/32/67/72/384326772.db2.gz DXHMXQLSHCRCSJ-CYBMUJFWSA-N 1 0 244.382 3.891 20 30 BHEDRO CCCCCCCC(=O)Nc1ccnc(C)c1 ZINC000219337568 592223041 /nfs/dbraw/zinc/22/30/41/592223041.db2.gz JMHYGVSZEFLONI-UHFFFAOYSA-N 1 0 234.343 3.689 20 30 BHEDRO C=CCSCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000219396771 398091850 /nfs/dbraw/zinc/09/18/50/398091850.db2.gz IHCIJYPGCXZFKQ-CQSZACIVSA-N 1 0 249.423 3.689 20 30 BHEDRO C=CCSCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000219396846 398091386 /nfs/dbraw/zinc/09/13/86/398091386.db2.gz IHCIJYPGCXZFKQ-AWEZNQCLSA-N 1 0 249.423 3.689 20 30 BHEDRO N#Cc1cccc(C[NH2+]CCCC2CCCC2)c1 ZINC000220721882 385271221 /nfs/dbraw/zinc/27/12/21/385271221.db2.gz BAPDZVQYTVFSII-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO CC(C)[N@H+](C/C=C\Cl)Cc1ccc(C#N)cc1 ZINC000221770881 592445352 /nfs/dbraw/zinc/44/53/52/592445352.db2.gz ADRYZGHUXJEQJG-BAQGIRSFSA-N 1 0 248.757 3.521 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000221775826 385498968 /nfs/dbraw/zinc/49/89/68/385498968.db2.gz FMPNDXVUJQPVBJ-XJKCOSOUSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000221775877 385497775 /nfs/dbraw/zinc/49/77/75/385497775.db2.gz FMPNDXVUJQPVBJ-IOASZLSFSA-N 1 0 242.366 3.788 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000221936469 385822716 /nfs/dbraw/zinc/82/27/16/385822716.db2.gz SEFSDESRUFYXCU-AWEZNQCLSA-N 1 0 249.423 3.873 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000221936529 259412921 /nfs/dbraw/zinc/41/29/21/259412921.db2.gz SEFSDESRUFYXCU-CQSZACIVSA-N 1 0 249.423 3.873 20 30 BHEDRO C=CCSCC[NH2+][C@@H](CC)Cc1ccccc1 ZINC000221937016 385823260 /nfs/dbraw/zinc/82/32/60/385823260.db2.gz SFCMIMXUTKFRRR-HNNXBMFYSA-N 1 0 249.423 3.517 20 30 BHEDRO C=CCSCC[NH2+][C@H](CC)Cc1ccccc1 ZINC000221937079 259412661 /nfs/dbraw/zinc/41/26/61/259412661.db2.gz SFCMIMXUTKFRRR-OAHLLOKOSA-N 1 0 249.423 3.517 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000221937297 385823425 /nfs/dbraw/zinc/82/34/25/385823425.db2.gz SLTLVTZSRQMHRK-AWEZNQCLSA-N 1 0 249.423 3.873 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000221937358 385823213 /nfs/dbraw/zinc/82/32/13/385823213.db2.gz SLTLVTZSRQMHRK-CQSZACIVSA-N 1 0 249.423 3.873 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000221941407 259412379 /nfs/dbraw/zinc/41/23/79/259412379.db2.gz JXBLNXKTCCWCMU-AWEZNQCLSA-N 1 0 249.423 3.873 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000221941461 398080565 /nfs/dbraw/zinc/08/05/65/398080565.db2.gz JXBLNXKTCCWCMU-CQSZACIVSA-N 1 0 249.423 3.873 20 30 BHEDRO C=CCSCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000221942245 134326749 /nfs/dbraw/zinc/32/67/49/134326749.db2.gz ZFJWYHBJCBWJSU-OAHLLOKOSA-N 1 0 247.407 3.573 20 30 BHEDRO C=CCSCC[NH2+][C@H]1CCCc2ccccc21 ZINC000221942292 134326816 /nfs/dbraw/zinc/32/68/16/134326816.db2.gz ZFJWYHBJCBWJSU-HNNXBMFYSA-N 1 0 247.407 3.573 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000221942383 259412121 /nfs/dbraw/zinc/41/21/21/259412121.db2.gz RBHQYMMFEZSVIF-AWEZNQCLSA-N 1 0 249.423 3.873 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000221942431 259411883 /nfs/dbraw/zinc/41/18/83/259411883.db2.gz RBHQYMMFEZSVIF-CQSZACIVSA-N 1 0 249.423 3.873 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000221943927 259328563 /nfs/dbraw/zinc/32/85/63/259328563.db2.gz DIMVBCXABDXIIE-ZDUSSCGKSA-N 1 0 249.423 3.819 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000221944002 398080747 /nfs/dbraw/zinc/08/07/47/398080747.db2.gz DIMVBCXABDXIIE-CYBMUJFWSA-N 1 0 249.423 3.819 20 30 BHEDRO C=CCSCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000221944334 134389743 /nfs/dbraw/zinc/38/97/43/134389743.db2.gz BMHBABRKWFQSQW-HNNXBMFYSA-N 1 0 249.423 3.955 20 30 BHEDRO C=CCSCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000221944389 134326658 /nfs/dbraw/zinc/32/66/58/134326658.db2.gz BMHBABRKWFQSQW-OAHLLOKOSA-N 1 0 249.423 3.955 20 30 BHEDRO C=CCSCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000222062797 387935926 /nfs/dbraw/zinc/93/59/26/387935926.db2.gz YSOOEIMXMTXHQH-UHFFFAOYSA-N 1 0 249.423 3.621 20 30 BHEDRO C=CCSCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000222063770 387941207 /nfs/dbraw/zinc/94/12/07/387941207.db2.gz COELZFIUFACTLE-UHFFFAOYSA-N 1 0 249.423 3.621 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000222078059 388610786 /nfs/dbraw/zinc/61/07/86/388610786.db2.gz HYCBRRJKFKXKDD-IACUBPJLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000222078173 385751933 /nfs/dbraw/zinc/75/19/33/385751933.db2.gz HYCBRRJKFKXKDD-YUTCNCBUSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000222079169 259408865 /nfs/dbraw/zinc/40/88/65/259408865.db2.gz KYIKVCSGAYDLES-ZOBORPQBSA-N 1 0 209.377 3.755 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000222096049 592467506 /nfs/dbraw/zinc/46/75/06/592467506.db2.gz SULKSJVCQIRPBU-ADEWGFFLSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000222096107 592467036 /nfs/dbraw/zinc/46/70/36/592467036.db2.gz SULKSJVCQIRPBU-ZMLRMANQSA-N 1 0 215.768 3.543 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000222285361 592474941 /nfs/dbraw/zinc/47/49/41/592474941.db2.gz LKLZQNGXUCSMFH-HNNXBMFYSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000222285415 592475426 /nfs/dbraw/zinc/47/54/26/592475426.db2.gz LKLZQNGXUCSMFH-OAHLLOKOSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000222285508 592475385 /nfs/dbraw/zinc/47/53/85/592475385.db2.gz XXZPZMMFGGPCCI-INIZCTEOSA-N 1 0 229.367 3.921 20 30 BHEDRO C#CCCCC[NH2+][C@H](CCC)c1ccccc1 ZINC000222285576 592475371 /nfs/dbraw/zinc/47/53/71/592475371.db2.gz XXZPZMMFGGPCCI-MRXNPFEDSA-N 1 0 229.367 3.921 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000222285892 592475586 /nfs/dbraw/zinc/47/55/86/592475586.db2.gz PDZYJRDAHLTZAA-HNNXBMFYSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000222285951 592475448 /nfs/dbraw/zinc/47/54/48/592475448.db2.gz PDZYJRDAHLTZAA-OAHLLOKOSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000222286925 592474891 /nfs/dbraw/zinc/47/48/91/592474891.db2.gz VELFSDIZWCHPPP-AWEZNQCLSA-N 1 0 241.378 3.629 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000222286972 592475033 /nfs/dbraw/zinc/47/50/33/592475033.db2.gz VELFSDIZWCHPPP-CQSZACIVSA-N 1 0 241.378 3.629 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000222287194 592474919 /nfs/dbraw/zinc/47/49/19/592474919.db2.gz BTUZGUOQLSNHEY-ARFHVFGLSA-N 1 0 233.399 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000222287315 592474989 /nfs/dbraw/zinc/47/49/89/592474989.db2.gz BTUZGUOQLSNHEY-BZUAXINKSA-N 1 0 233.399 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000222290052 592475565 /nfs/dbraw/zinc/47/55/65/592475565.db2.gz UZGWYOZARQDWKZ-HNNXBMFYSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000222290109 592475391 /nfs/dbraw/zinc/47/53/91/592475391.db2.gz UZGWYOZARQDWKZ-OAHLLOKOSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000222290747 592474934 /nfs/dbraw/zinc/47/49/34/592474934.db2.gz VPYHOIDKJNNWPB-INIZCTEOSA-N 1 0 243.394 3.709 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000222290810 592475613 /nfs/dbraw/zinc/47/56/13/592475613.db2.gz VPYHOIDKJNNWPB-MRXNPFEDSA-N 1 0 243.394 3.709 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000222291639 592475642 /nfs/dbraw/zinc/47/56/42/592475642.db2.gz SYMUJISIXBACAB-AWEZNQCLSA-N 1 0 229.367 3.703 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000222291688 582669299 /nfs/dbraw/zinc/66/92/99/582669299.db2.gz SYMUJISIXBACAB-CQSZACIVSA-N 1 0 229.367 3.703 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000222291914 592474507 /nfs/dbraw/zinc/47/45/07/592474507.db2.gz GYISRIKQODAQIY-INIZCTEOSA-N 1 0 229.367 3.839 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000222291967 592474636 /nfs/dbraw/zinc/47/46/36/592474636.db2.gz GYISRIKQODAQIY-MRXNPFEDSA-N 1 0 229.367 3.839 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000222293123 592474971 /nfs/dbraw/zinc/47/49/71/592474971.db2.gz DYBOBFUDELNQCZ-QLFBSQMISA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000222293177 592475681 /nfs/dbraw/zinc/47/56/81/592475681.db2.gz DYBOBFUDELNQCZ-SOUVJXGZSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000222294323 592475329 /nfs/dbraw/zinc/47/53/29/592475329.db2.gz KRCQNKPWGIOWQN-KBPBESRZSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)C[C@@H](C)CC ZINC000222294383 592475632 /nfs/dbraw/zinc/47/56/32/592475632.db2.gz KRCQNKPWGIOWQN-UONOGXRCSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)C[C@H](C)CC ZINC000222294447 592474978 /nfs/dbraw/zinc/47/49/78/592474978.db2.gz KRCQNKPWGIOWQN-KGLIPLIRSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)C[C@H](C)CC ZINC000222294494 592475691 /nfs/dbraw/zinc/47/56/91/592475691.db2.gz KRCQNKPWGIOWQN-ZIAGYGMSSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCCCCC ZINC000222295068 592474961 /nfs/dbraw/zinc/47/49/61/592474961.db2.gz BHWKFUNJQRFBNO-AWEZNQCLSA-N 1 0 209.377 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCCCCC ZINC000222295127 592475106 /nfs/dbraw/zinc/47/51/06/592475106.db2.gz BHWKFUNJQRFBNO-CQSZACIVSA-N 1 0 209.377 3.738 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000222440564 534778615 /nfs/dbraw/zinc/77/86/15/534778615.db2.gz RCXKNWCERLMZRS-INIZCTEOSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCCOCC[NH2+][C@H](CCC)c1ccccc1 ZINC000222440614 534780352 /nfs/dbraw/zinc/78/03/52/534780352.db2.gz RCXKNWCERLMZRS-MRXNPFEDSA-N 1 0 247.382 3.710 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223017088 592515235 /nfs/dbraw/zinc/51/52/35/592515235.db2.gz SKXJIUXXHLSZBG-LSDHHAIUSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCCCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000223017139 592514912 /nfs/dbraw/zinc/51/49/12/592514912.db2.gz SKXJIUXXHLSZBG-GJZGRUSLSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000223017185 592514723 /nfs/dbraw/zinc/51/47/23/592514723.db2.gz SKXJIUXXHLSZBG-HUUCEWRRSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCCCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000223017245 592515208 /nfs/dbraw/zinc/51/52/08/592515208.db2.gz SKXJIUXXHLSZBG-CABCVRRESA-N 1 0 241.419 3.894 20 30 BHEDRO C=CCSCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000223157325 259333141 /nfs/dbraw/zinc/33/31/41/259333141.db2.gz YBAVNWZPGTWONO-OAHLLOKOSA-N 1 0 249.423 3.893 20 30 BHEDRO C=CCSCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000223157367 259333224 /nfs/dbraw/zinc/33/32/24/259333224.db2.gz YBAVNWZPGTWONO-HNNXBMFYSA-N 1 0 249.423 3.893 20 30 BHEDRO C#CCCCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000223185859 592519266 /nfs/dbraw/zinc/51/92/66/592519266.db2.gz NYPRHUXAHBARII-MRXNPFEDSA-N 1 0 245.341 3.670 20 30 BHEDRO C#CCCCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000223185920 592519952 /nfs/dbraw/zinc/51/99/52/592519952.db2.gz NYPRHUXAHBARII-INIZCTEOSA-N 1 0 245.341 3.670 20 30 BHEDRO C#CCCCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000223185995 592520064 /nfs/dbraw/zinc/52/00/64/592520064.db2.gz YGKASNADOZXBGX-KRWDZBQOSA-N 1 0 241.378 3.839 20 30 BHEDRO C#CCCCC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000223186049 592519900 /nfs/dbraw/zinc/51/99/00/592519900.db2.gz YGKASNADOZXBGX-QGZVFWFLSA-N 1 0 241.378 3.839 20 30 BHEDRO C#CCCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000223186529 582749193 /nfs/dbraw/zinc/74/91/93/582749193.db2.gz ZXFNRLCMLAERCE-MRXNPFEDSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CCCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000223186585 635363180 /nfs/dbraw/zinc/36/31/80/635363180.db2.gz ZXFNRLCMLAERCE-INIZCTEOSA-N 1 0 229.367 3.777 20 30 BHEDRO C[C@@H]([N@H+](C)Cc1cccc(C#N)c1F)C(C)(C)C ZINC000223519951 356621666 /nfs/dbraw/zinc/62/16/66/356621666.db2.gz SHHMBAVVCRLOKG-LLVKDONJSA-N 1 0 248.345 3.564 20 30 BHEDRO C[C@H]([N@H+](C)Cc1cccc(C#N)c1F)C(C)(C)C ZINC000223520008 356621483 /nfs/dbraw/zinc/62/14/83/356621483.db2.gz SHHMBAVVCRLOKG-NSHDSACASA-N 1 0 248.345 3.564 20 30 BHEDRO CC(C)C[N@H+](Cc1cccc(C#N)c1F)C(C)C ZINC000223522060 535056314 /nfs/dbraw/zinc/05/63/14/535056314.db2.gz JVWCQNWWJKWRLV-UHFFFAOYSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1cccc(C#N)c1F ZINC000223556264 387118716 /nfs/dbraw/zinc/11/87/16/387118716.db2.gz QJUMEVAXHXSCKE-GFCCVEGCSA-N 1 0 248.345 3.565 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1cccc(C#N)c1F ZINC000223556322 387119891 /nfs/dbraw/zinc/11/98/91/387119891.db2.gz QJUMEVAXHXSCKE-LBPRGKRZSA-N 1 0 248.345 3.565 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1cccc(C#N)c1F ZINC000223564566 386725794 /nfs/dbraw/zinc/72/57/94/386725794.db2.gz GCIOVBLFWMFPPS-UHFFFAOYSA-N 1 0 248.345 3.756 20 30 BHEDRO C#CCC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000223835067 640590984 /nfs/dbraw/zinc/59/09/84/640590984.db2.gz OYMQSRCVZPAMFV-VIFPVBQESA-N 1 0 242.149 3.667 20 30 BHEDRO C#CCC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000223835133 640590724 /nfs/dbraw/zinc/59/07/24/640590724.db2.gz OYMQSRCVZPAMFV-SECBINFHSA-N 1 0 242.149 3.667 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000224161724 259345228 /nfs/dbraw/zinc/34/52/28/259345228.db2.gz ARKIKTNOPDBKBK-UHIISALHSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000224161824 387795339 /nfs/dbraw/zinc/79/53/39/387795339.db2.gz ARKIKTNOPDBKBK-SUNKGSAMSA-N 1 0 248.395 3.534 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000224302104 640610961 /nfs/dbraw/zinc/61/09/61/640610961.db2.gz PHAJEBUNJIGSFL-AWEZNQCLSA-N 1 0 229.367 3.874 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000224302146 632027085 /nfs/dbraw/zinc/02/70/85/632027085.db2.gz PHAJEBUNJIGSFL-CQSZACIVSA-N 1 0 229.367 3.874 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000224304738 632027935 /nfs/dbraw/zinc/02/79/35/632027935.db2.gz UBOOQLHGLNAYRA-LBPRGKRZSA-N 1 0 247.407 3.691 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000224304793 640609993 /nfs/dbraw/zinc/60/99/93/640609993.db2.gz UBOOQLHGLNAYRA-GFCCVEGCSA-N 1 0 247.407 3.691 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000224305287 632027819 /nfs/dbraw/zinc/02/78/19/632027819.db2.gz FHQNPVFDSVWRAI-AWEZNQCLSA-N 1 0 229.367 3.703 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc(CCC)cc1 ZINC000224305348 640610437 /nfs/dbraw/zinc/61/04/37/640610437.db2.gz FHQNPVFDSVWRAI-CQSZACIVSA-N 1 0 229.367 3.703 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000224306233 632028472 /nfs/dbraw/zinc/02/84/72/632028472.db2.gz OOXJAVGXENQFRS-INIZCTEOSA-N 1 0 229.367 3.703 20 30 BHEDRO C#CCCC[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000224306276 640609297 /nfs/dbraw/zinc/60/92/97/640609297.db2.gz OOXJAVGXENQFRS-MRXNPFEDSA-N 1 0 229.367 3.703 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000224307546 632028187 /nfs/dbraw/zinc/02/81/87/632028187.db2.gz OYEZOVSDZWTDPC-UONOGXRCSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000224307593 640609499 /nfs/dbraw/zinc/60/94/99/640609499.db2.gz OYEZOVSDZWTDPC-KBPBESRZSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000224307652 640609846 /nfs/dbraw/zinc/60/98/46/640609846.db2.gz OYEZOVSDZWTDPC-ZIAGYGMSSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000224307710 640609919 /nfs/dbraw/zinc/60/99/19/640609919.db2.gz OYEZOVSDZWTDPC-KGLIPLIRSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000224310308 632028244 /nfs/dbraw/zinc/02/82/44/632028244.db2.gz ONXGWWDXMNLFLY-AWEZNQCLSA-N 1 0 241.378 3.629 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000224310359 640609972 /nfs/dbraw/zinc/60/99/72/640609972.db2.gz ONXGWWDXMNLFLY-CQSZACIVSA-N 1 0 241.378 3.629 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000224311767 632028642 /nfs/dbraw/zinc/02/86/42/632028642.db2.gz BPXNAIQYMFWOGX-HNNXBMFYSA-N 1 0 229.367 3.676 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000224311818 632028437 /nfs/dbraw/zinc/02/84/37/632028437.db2.gz BPXNAIQYMFWOGX-OAHLLOKOSA-N 1 0 229.367 3.676 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000224313039 640609952 /nfs/dbraw/zinc/60/99/52/640609952.db2.gz WHHUXUUDPZUPMS-IAGOWNOFSA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000224313083 632027722 /nfs/dbraw/zinc/02/77/22/632027722.db2.gz WHHUXUUDPZUPMS-SJORKVTESA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000224313136 632027805 /nfs/dbraw/zinc/02/78/05/632027805.db2.gz WHHUXUUDPZUPMS-DLBZAZTESA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000224313196 640609320 /nfs/dbraw/zinc/60/93/20/640609320.db2.gz WHHUXUUDPZUPMS-IRXDYDNUSA-N 1 0 241.378 3.716 20 30 BHEDRO CCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCC1 ZINC000224714639 535296163 /nfs/dbraw/zinc/29/61/63/535296163.db2.gz OPENELCPOIPDLX-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO CCC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCC1 ZINC000224714682 535297897 /nfs/dbraw/zinc/29/78/97/535297897.db2.gz OPENELCPOIPDLX-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO N#Cc1ccc(C[NH2+]CCCC2CCCC2)cc1 ZINC000225617127 388838677 /nfs/dbraw/zinc/83/86/77/388838677.db2.gz FDFHIPZJXWYIEY-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226108145 388705581 /nfs/dbraw/zinc/70/55/81/388705581.db2.gz VGKQZKPUFAQMFL-HUUCEWRRSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226108239 388705134 /nfs/dbraw/zinc/70/51/34/388705134.db2.gz SPFQLPXQRMZHEK-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000226266123 388103309 /nfs/dbraw/zinc/10/33/09/388103309.db2.gz UBKYHFXMWDNCHQ-UHIISALHSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000226266143 388103406 /nfs/dbraw/zinc/10/34/06/388103406.db2.gz UBKYHFXMWDNCHQ-SUNKGSAMSA-N 1 0 248.395 3.534 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000226319040 635707615 /nfs/dbraw/zinc/70/76/15/635707615.db2.gz SXJBHRJROMQRMB-AWEZNQCLSA-N 1 0 249.423 3.517 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)CCc1ccccc1 ZINC000226319047 640748178 /nfs/dbraw/zinc/74/81/78/640748178.db2.gz SXJBHRJROMQRMB-CQSZACIVSA-N 1 0 249.423 3.517 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000226328981 632402199 /nfs/dbraw/zinc/40/21/99/632402199.db2.gz YIMXVDZIMSMAMX-INIZCTEOSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CCCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000226328985 632403210 /nfs/dbraw/zinc/40/32/10/632403210.db2.gz YIMXVDZIMSMAMX-MRXNPFEDSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CCCCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000226455481 711831067 /nfs/dbraw/zinc/83/10/67/711831067.db2.gz XRRCRMRZPCXZHP-UHFFFAOYSA-N 1 0 249.423 3.939 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000226517489 398273601 /nfs/dbraw/zinc/27/36/01/398273601.db2.gz XTJQRJOCTLMAGV-MGPQQGTHSA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000226517494 368359976 /nfs/dbraw/zinc/35/99/76/368359976.db2.gz XTJQRJOCTLMAGV-MCIONIFRSA-N 1 0 222.376 3.627 20 30 BHEDRO C[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000226554986 358340902 /nfs/dbraw/zinc/34/09/02/358340902.db2.gz LQFGXXMQBUQRAA-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](C#N)C[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000226554995 358341031 /nfs/dbraw/zinc/34/10/31/358341031.db2.gz LQFGXXMQBUQRAA-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CC1(CC)CC1 ZINC000226784226 134369003 /nfs/dbraw/zinc/36/90/03/134369003.db2.gz AHLGBBVATHUMDK-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=CCOc1ccc(C[NH2+]CC2(CC)CC2)cc1 ZINC000226785003 388729959 /nfs/dbraw/zinc/72/99/59/388729959.db2.gz HDJUMTCGVQALOE-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CC1(C)CCC1 ZINC000226786692 134368899 /nfs/dbraw/zinc/36/88/99/134368899.db2.gz OHNCARYACYBWMD-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=CCOc1ccc(C[NH2+]CC2(C)CCC2)cc1 ZINC000226787635 134368789 /nfs/dbraw/zinc/36/87/89/134368789.db2.gz DVXRWZHGNZCCET-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000227001267 259623138 /nfs/dbraw/zinc/62/31/38/259623138.db2.gz DJYRUPCZTICYLA-HNNXBMFYSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000227001276 388356569 /nfs/dbraw/zinc/35/65/69/388356569.db2.gz DJYRUPCZTICYLA-OAHLLOKOSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000227014183 259623451 /nfs/dbraw/zinc/62/34/51/259623451.db2.gz GUMJZGGCKWBUII-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000227014210 388737119 /nfs/dbraw/zinc/73/71/19/388737119.db2.gz GUMJZGGCKWBUII-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO C=CCSCC[NH2+]Cc1ccccc1C1CC1 ZINC000227125033 345247773 /nfs/dbraw/zinc/24/77/73/345247773.db2.gz ITKNRCDELRHOBG-UHFFFAOYSA-N 1 0 247.407 3.573 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C(C)(CC)CC)cc1 ZINC000227217797 388744182 /nfs/dbraw/zinc/74/41/82/388744182.db2.gz RIKAGPXXUXBWKW-UHFFFAOYSA-N 1 0 247.382 3.920 20 30 BHEDRO CCCCCCCC[NH+]1CCC(C)(C#N)CC1 ZINC000227351514 640828822 /nfs/dbraw/zinc/82/88/22/640828822.db2.gz CSGNYKSEQLHENK-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO CCCCCCC[NH+]1CCC(C)(C#N)CC1 ZINC000227354054 640829978 /nfs/dbraw/zinc/82/99/78/640829978.db2.gz DEJGAAWPVIYDNA-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO CCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CCC1 ZINC000227758293 535297191 /nfs/dbraw/zinc/29/71/91/535297191.db2.gz OJYXQYQBLFDXHG-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO CCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CCC1 ZINC000227758298 535298637 /nfs/dbraw/zinc/29/86/37/535298637.db2.gz OJYXQYQBLFDXHG-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000227834621 259303991 /nfs/dbraw/zinc/30/39/91/259303991.db2.gz SPFQLPXQRMZHEK-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000227841853 388760350 /nfs/dbraw/zinc/76/03/50/388760350.db2.gz VGKQZKPUFAQMFL-LSDHHAIUSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228012423 387060022 /nfs/dbraw/zinc/06/00/22/387060022.db2.gz QELAWQNTRCQUDH-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228012440 387060757 /nfs/dbraw/zinc/06/07/57/387060757.db2.gz QELAWQNTRCQUDH-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000228607822 323176748 /nfs/dbraw/zinc/17/67/48/323176748.db2.gz QPSIVVSFIONPJB-ZOBORPQBSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000228612126 259441157 /nfs/dbraw/zinc/44/11/57/259441157.db2.gz RUSHHZIGJORLHB-ZOBORPQBSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000228612513 386475117 /nfs/dbraw/zinc/47/51/17/386475117.db2.gz HTHKITUPPXWSEK-RWMBFGLXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000228612518 386476952 /nfs/dbraw/zinc/47/69/52/386476952.db2.gz HTHKITUPPXWSEK-YNEHKIRRSA-N 1 0 227.417 3.605 20 30 BHEDRO C#CCCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000228826805 387122866 /nfs/dbraw/zinc/12/28/66/387122866.db2.gz NEOJNKYQRAOLHZ-UHFFFAOYSA-N 1 0 247.769 3.589 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000229204424 388780875 /nfs/dbraw/zinc/78/08/75/388780875.db2.gz KXMAYMIAZIERQA-GFCCVEGCSA-N 1 0 211.308 3.504 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000229204436 388782259 /nfs/dbraw/zinc/78/22/59/388782259.db2.gz KXMAYMIAZIERQA-LBPRGKRZSA-N 1 0 211.308 3.504 20 30 BHEDRO C=C[C@@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000229323518 388785988 /nfs/dbraw/zinc/78/59/88/388785988.db2.gz AEOOOGXENMVEFM-VOMCLLRMSA-N 1 0 235.758 3.750 20 30 BHEDRO C=C[C@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000229323529 388786465 /nfs/dbraw/zinc/78/64/65/388786465.db2.gz AEOOOGXENMVEFM-UNXYVOJBSA-N 1 0 235.758 3.750 20 30 BHEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000229412594 388789450 /nfs/dbraw/zinc/78/94/50/388789450.db2.gz PKAIMEXIDIAKDO-MGPQQGTHSA-N 1 0 236.403 3.683 20 30 BHEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000229412616 388788719 /nfs/dbraw/zinc/78/87/19/388788719.db2.gz PKAIMEXIDIAKDO-HZSPNIEDSA-N 1 0 236.403 3.683 20 30 BHEDRO CC(C)C(C[NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000229528194 386300142 /nfs/dbraw/zinc/30/01/42/386300142.db2.gz DEIOIKRZTAYRMY-UHFFFAOYSA-N 1 0 244.382 3.576 20 30 BHEDRO CC(C)C(C[NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000229537135 388392857 /nfs/dbraw/zinc/39/28/57/388392857.db2.gz WKAYOVUNCJUIPS-UHFFFAOYSA-N 1 0 244.382 3.576 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229563698 640967992 /nfs/dbraw/zinc/96/79/92/640967992.db2.gz XONGWSRPFHRHAH-NSHDSACASA-N 1 0 235.293 3.501 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000229563701 632578260 /nfs/dbraw/zinc/57/82/60/632578260.db2.gz XONGWSRPFHRHAH-LLVKDONJSA-N 1 0 235.293 3.501 20 30 BHEDRO CC1(C[NH2+]Cc2ccc(C#N)cc2)CCCCC1 ZINC000229586769 259642343 /nfs/dbraw/zinc/64/23/43/259642343.db2.gz JBWSNFAKUFYEFU-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CC1(C)CCCCC1 ZINC000229587611 535004516 /nfs/dbraw/zinc/00/45/16/535004516.db2.gz PRLTYJZWSMOZFB-UHFFFAOYSA-N 1 0 236.403 3.876 20 30 BHEDRO CC1(C[NH2+]Cc2cc(C#N)cs2)CCCCC1 ZINC000229587629 388394359 /nfs/dbraw/zinc/39/43/59/388394359.db2.gz XCPDIIABJRASGR-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO CC1(C[NH2+]Cc2ccc(C#N)s2)CCCCC1 ZINC000229587851 398265523 /nfs/dbraw/zinc/26/55/23/398265523.db2.gz YBJQFDZLGRKIAY-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO CC1(C[NH2+]Cc2cccc(C#N)c2)CCCCC1 ZINC000229587950 388394380 /nfs/dbraw/zinc/39/43/80/388394380.db2.gz GFJLHWLQRIBPJG-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO C#CCCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000229639645 711676333 /nfs/dbraw/zinc/67/63/33/711676333.db2.gz MSNRPVUHYXHJQE-UHFFFAOYSA-N 1 0 233.399 3.883 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000229667469 136214642 /nfs/dbraw/zinc/21/46/42/136214642.db2.gz HFMTWGHWPGCGNF-CYBMUJFWSA-N 1 0 230.355 3.667 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000229667476 136214645 /nfs/dbraw/zinc/21/46/45/136214645.db2.gz HFMTWGHWPGCGNF-ZDUSSCGKSA-N 1 0 230.355 3.667 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C ZINC000229670256 134464013 /nfs/dbraw/zinc/46/40/13/134464013.db2.gz USCDIINTVDHXAL-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C ZINC000229670273 134464078 /nfs/dbraw/zinc/46/40/78/134464078.db2.gz USCDIINTVDHXAL-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C1CCCCCC1 ZINC000229670834 387193144 /nfs/dbraw/zinc/19/31/44/387193144.db2.gz BROFKEBDQDGDBA-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229670845 387191772 /nfs/dbraw/zinc/19/17/72/387191772.db2.gz GNXUBKDONYEJIJ-CYBMUJFWSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229670853 134465228 /nfs/dbraw/zinc/46/52/28/134465228.db2.gz GNXUBKDONYEJIJ-ZDUSSCGKSA-N 1 0 224.392 3.731 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229671118 387193034 /nfs/dbraw/zinc/19/30/34/387193034.db2.gz ACRMZDFEEZLDBJ-CQSZACIVSA-N 1 0 244.382 3.976 20 30 BHEDRO Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229671124 387192375 /nfs/dbraw/zinc/19/23/75/387192375.db2.gz ACRMZDFEEZLDBJ-AWEZNQCLSA-N 1 0 244.382 3.976 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000229671269 535007260 /nfs/dbraw/zinc/00/72/60/535007260.db2.gz XIFXAOCANACTFU-OAHLLOKOSA-N 1 0 242.366 3.593 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2ccccc21 ZINC000229671278 535007378 /nfs/dbraw/zinc/00/73/78/535007378.db2.gz XIFXAOCANACTFU-HNNXBMFYSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@@H](CCc1ccco1)[NH2+]CC(C)(C)CCC#N ZINC000229671834 358406944 /nfs/dbraw/zinc/40/69/44/358406944.db2.gz HIPZMIISHVEZIN-ZDUSSCGKSA-N 1 0 248.370 3.520 20 30 BHEDRO C[C@H](CCc1ccco1)[NH2+]CC(C)(C)CCC#N ZINC000229671843 358406946 /nfs/dbraw/zinc/40/69/46/358406946.db2.gz HIPZMIISHVEZIN-CYBMUJFWSA-N 1 0 248.370 3.520 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(F)c1 ZINC000229671933 387193136 /nfs/dbraw/zinc/19/31/36/387193136.db2.gz KSUUXDCMMWOJIX-GFCCVEGCSA-N 1 0 248.345 3.806 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(F)c1 ZINC000229671942 387192265 /nfs/dbraw/zinc/19/22/65/387192265.db2.gz KSUUXDCMMWOJIX-LBPRGKRZSA-N 1 0 248.345 3.806 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccs1 ZINC000229672001 134465326 /nfs/dbraw/zinc/46/53/26/134465326.db2.gz WZAQNQWOONRPIG-LLVKDONJSA-N 1 0 236.384 3.729 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccs1 ZINC000229672010 387192112 /nfs/dbraw/zinc/19/21/12/387192112.db2.gz WZAQNQWOONRPIG-NSHDSACASA-N 1 0 236.384 3.729 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCc2occc21 ZINC000229672393 387192055 /nfs/dbraw/zinc/19/20/55/387192055.db2.gz VSWPHFDLQZOODE-CYBMUJFWSA-N 1 0 246.354 3.577 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCc2occc21 ZINC000229672399 535006832 /nfs/dbraw/zinc/00/68/32/535006832.db2.gz VSWPHFDLQZOODE-ZDUSSCGKSA-N 1 0 246.354 3.577 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229674191 640971680 /nfs/dbraw/zinc/97/16/80/640971680.db2.gz NYSOTVCJEFRYKK-CYBMUJFWSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCC[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229674195 640970840 /nfs/dbraw/zinc/97/08/40/640970840.db2.gz NYSOTVCJEFRYKK-ZDUSSCGKSA-N 1 0 224.392 3.875 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)o1 ZINC000229677681 387193179 /nfs/dbraw/zinc/19/31/79/387193179.db2.gz YKINXLKWRHCGPF-GFCCVEGCSA-N 1 0 234.343 3.569 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)o1 ZINC000229677691 387191851 /nfs/dbraw/zinc/19/18/51/387191851.db2.gz YKINXLKWRHCGPF-LBPRGKRZSA-N 1 0 234.343 3.569 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229680838 259642714 /nfs/dbraw/zinc/64/27/14/259642714.db2.gz GVSQDNWWEUGVEX-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229680846 388797779 /nfs/dbraw/zinc/79/77/79/388797779.db2.gz GVSQDNWWEUGVEX-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000229680856 388798629 /nfs/dbraw/zinc/79/86/29/388798629.db2.gz GVSQDNWWEUGVEX-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000229680866 259642842 /nfs/dbraw/zinc/64/28/42/259642842.db2.gz GVSQDNWWEUGVEX-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1F ZINC000229690025 387191341 /nfs/dbraw/zinc/19/13/41/387191341.db2.gz VWOPSKKJYCFKRE-GFCCVEGCSA-N 1 0 248.345 3.806 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1F ZINC000229690033 134464654 /nfs/dbraw/zinc/46/46/54/134464654.db2.gz VWOPSKKJYCFKRE-LBPRGKRZSA-N 1 0 248.345 3.806 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CCC#N)c(C)o1 ZINC000229693965 387191692 /nfs/dbraw/zinc/19/16/92/387191692.db2.gz BBUYQJOQSZEKHI-GFCCVEGCSA-N 1 0 248.370 3.877 20 30 BHEDRO Cc1cc([C@H](C)[NH2+]CC(C)(C)CCC#N)c(C)o1 ZINC000229693974 387191353 /nfs/dbraw/zinc/19/13/53/387191353.db2.gz BBUYQJOQSZEKHI-LBPRGKRZSA-N 1 0 248.370 3.877 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000229694720 388798456 /nfs/dbraw/zinc/79/84/56/388798456.db2.gz BOHBZXKBTXJWTL-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000229694725 388798839 /nfs/dbraw/zinc/79/88/39/388798839.db2.gz BOHBZXKBTXJWTL-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccsc1 ZINC000229695316 387192494 /nfs/dbraw/zinc/19/24/94/387192494.db2.gz CQGNURIRGVWRJP-LLVKDONJSA-N 1 0 236.384 3.729 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccsc1 ZINC000229695321 134464908 /nfs/dbraw/zinc/46/49/08/134464908.db2.gz CQGNURIRGVWRJP-NSHDSACASA-N 1 0 236.384 3.729 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)C1 ZINC000229695953 387191483 /nfs/dbraw/zinc/19/14/83/387191483.db2.gz VSZXDRLFNYAHPO-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)C1 ZINC000229695964 387191573 /nfs/dbraw/zinc/19/15/73/387191573.db2.gz VSZXDRLFNYAHPO-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1CC([NH2+]CC(C)(C)CCC#N)C[C@H](C)C1 ZINC000229696716 134465127 /nfs/dbraw/zinc/46/51/27/134465127.db2.gz WCQZCYRPZDGJKJ-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC([NH2+]CC(C)(C)CCC#N)C[C@@H](C)C1 ZINC000229696732 387192105 /nfs/dbraw/zinc/19/21/05/387192105.db2.gz WCQZCYRPZDGJKJ-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000229696799 388798171 /nfs/dbraw/zinc/79/81/71/388798171.db2.gz BYAIYEWEUHYLGD-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000229696806 388798782 /nfs/dbraw/zinc/79/87/82/388798782.db2.gz BYAIYEWEUHYLGD-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000229696814 388798234 /nfs/dbraw/zinc/79/82/34/388798234.db2.gz BYAIYEWEUHYLGD-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000229696818 259310880 /nfs/dbraw/zinc/31/08/80/259310880.db2.gz BYAIYEWEUHYLGD-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229697669 372182117 /nfs/dbraw/zinc/18/21/17/372182117.db2.gz QEBGTNGLYGGTEN-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229697677 372182709 /nfs/dbraw/zinc/18/27/09/372182709.db2.gz QEBGTNGLYGGTEN-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CCCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000229697685 372182463 /nfs/dbraw/zinc/18/24/63/372182463.db2.gz QEBGTNGLYGGTEN-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]1CCCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000229697691 372182094 /nfs/dbraw/zinc/18/20/94/372182094.db2.gz QEBGTNGLYGGTEN-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CC1C(C)(C)C1(C)C ZINC000229698871 387183027 /nfs/dbraw/zinc/18/30/27/387183027.db2.gz LXBKUTFVJAUMJM-UHFFFAOYSA-N 1 0 236.403 3.588 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCCC1(C)C ZINC000229699075 388797874 /nfs/dbraw/zinc/79/78/74/388797874.db2.gz NOGZTWMGCHULBA-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCCC1(C)C ZINC000229699080 388798389 /nfs/dbraw/zinc/79/83/89/388798389.db2.gz NOGZTWMGCHULBA-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000229700493 384411671 /nfs/dbraw/zinc/41/16/71/384411671.db2.gz PKVGFVLDVKXCCD-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000229700501 384411140 /nfs/dbraw/zinc/41/11/40/384411140.db2.gz PKVGFVLDVKXCCD-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO C#CCCCCNc1cc(C)[nH+]c2ccccc12 ZINC000229738928 384417030 /nfs/dbraw/zinc/41/70/30/384417030.db2.gz KNQMRDJYTCHSSX-UHFFFAOYSA-N 1 0 238.334 3.759 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000229739635 632988319 /nfs/dbraw/zinc/98/83/19/632988319.db2.gz SYJIKBWWYKBSFP-QGZVFWFLSA-N 1 0 241.378 3.847 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000229739644 632989119 /nfs/dbraw/zinc/98/91/19/632989119.db2.gz SYJIKBWWYKBSFP-KRWDZBQOSA-N 1 0 241.378 3.847 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000229739785 632989438 /nfs/dbraw/zinc/98/94/38/632989438.db2.gz OWFMUZWHDVFRMP-HNNXBMFYSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000229739792 640974867 /nfs/dbraw/zinc/97/48/67/640974867.db2.gz OWFMUZWHDVFRMP-OAHLLOKOSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000229743073 632991256 /nfs/dbraw/zinc/99/12/56/632991256.db2.gz FFDVSJSGPMFRMJ-UHFFFAOYSA-N 1 0 229.367 3.505 20 30 BHEDRO C[C@@H]([N@H+](C)Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000229748281 372189635 /nfs/dbraw/zinc/18/96/35/372189635.db2.gz BLUUNDPUJGXZMN-LLVKDONJSA-N 1 0 248.345 3.564 20 30 BHEDRO C[C@H]([N@H+](C)Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000229748286 372189802 /nfs/dbraw/zinc/18/98/02/372189802.db2.gz BLUUNDPUJGXZMN-NSHDSACASA-N 1 0 248.345 3.564 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000229751304 388397523 /nfs/dbraw/zinc/39/75/23/388397523.db2.gz CDFHVAYZFXIYBP-GFCCVEGCSA-N 1 0 248.345 3.565 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000229751311 386536132 /nfs/dbraw/zinc/53/61/32/386536132.db2.gz CDFHVAYZFXIYBP-LBPRGKRZSA-N 1 0 248.345 3.565 20 30 BHEDRO C#C[C@@H](CC)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000229884510 633000153 /nfs/dbraw/zinc/00/01/53/633000153.db2.gz QUGWVDZFRVNKCZ-CGZBRXJRSA-N 1 0 241.378 3.714 20 30 BHEDRO C#C[C@H](CC)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000229884515 632997398 /nfs/dbraw/zinc/99/73/98/632997398.db2.gz QUGWVDZFRVNKCZ-AQFXKWCLSA-N 1 0 241.378 3.714 20 30 BHEDRO C#C[C@@H](CC)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000229892036 632997529 /nfs/dbraw/zinc/99/75/29/632997529.db2.gz IXBCHJIHCCMULD-JTQLQIEISA-N 1 0 247.725 3.588 20 30 BHEDRO C#C[C@H](CC)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000229892039 632996820 /nfs/dbraw/zinc/99/68/20/632996820.db2.gz IXBCHJIHCCMULD-SNVBAGLBSA-N 1 0 247.725 3.588 20 30 BHEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000229895270 632997887 /nfs/dbraw/zinc/99/78/87/632997887.db2.gz GVVLRQIMTCYYLE-NSHDSACASA-N 1 0 235.396 3.547 20 30 BHEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000229895275 633000608 /nfs/dbraw/zinc/00/06/08/633000608.db2.gz GVVLRQIMTCYYLE-LLVKDONJSA-N 1 0 235.396 3.547 20 30 BHEDRO C#C[C@@H](CC)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000229896138 632997459 /nfs/dbraw/zinc/99/74/59/632997459.db2.gz LRUROWBNTHRFJT-BLZCZZARSA-N 1 0 247.769 3.587 20 30 BHEDRO C#C[C@H](CC)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000229896142 633000117 /nfs/dbraw/zinc/00/01/17/633000117.db2.gz LRUROWBNTHRFJT-HNFVBEJKSA-N 1 0 247.769 3.587 20 30 BHEDRO C#C[C@@H](CC)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000229896148 632997507 /nfs/dbraw/zinc/99/75/07/632997507.db2.gz RIOCFJRIHGCBDF-BLZCZZARSA-N 1 0 247.769 3.587 20 30 BHEDRO C#C[C@H](CC)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000229896153 633000191 /nfs/dbraw/zinc/00/01/91/633000191.db2.gz RIOCFJRIHGCBDF-HNFVBEJKSA-N 1 0 247.769 3.587 20 30 BHEDRO C[C@@H]([N@H+](C)Cc1cc(F)ccc1C#N)C(C)(C)C ZINC000229957164 342858596 /nfs/dbraw/zinc/85/85/96/342858596.db2.gz LHFOGELANQQHEL-LLVKDONJSA-N 1 0 248.345 3.564 20 30 BHEDRO C[C@H]([N@H+](C)Cc1cc(F)ccc1C#N)C(C)(C)C ZINC000229957169 342858776 /nfs/dbraw/zinc/85/87/76/342858776.db2.gz LHFOGELANQQHEL-NSHDSACASA-N 1 0 248.345 3.564 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1cc(F)ccc1C#N ZINC000229959924 384338459 /nfs/dbraw/zinc/33/84/59/384338459.db2.gz FLVLMWCMSDRFSH-GFCCVEGCSA-N 1 0 248.345 3.565 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1cc(F)ccc1C#N ZINC000229959931 259644426 /nfs/dbraw/zinc/64/44/26/259644426.db2.gz FLVLMWCMSDRFSH-LBPRGKRZSA-N 1 0 248.345 3.565 20 30 BHEDRO CCCCCCC[NH2+]Cc1ncc(CC)s1 ZINC000230141255 635481507 /nfs/dbraw/zinc/48/15/07/635481507.db2.gz RUIIYSGOLXGVFZ-UHFFFAOYSA-N 1 0 240.416 3.766 20 30 BHEDRO CCC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC000230200052 387227170 /nfs/dbraw/zinc/22/71/70/387227170.db2.gz DCYVZQPPGHGVJV-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO CCC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC000230200099 387226159 /nfs/dbraw/zinc/22/61/59/387226159.db2.gz VVJDUDZWBWNNJJ-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO CC[N@H+](CCCCC(C)(C)C#N)CC1CCC1 ZINC000230316620 388823457 /nfs/dbraw/zinc/82/34/57/388823457.db2.gz JBKSDXXLLXCUHY-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C#CCCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000230347540 641049329 /nfs/dbraw/zinc/04/93/29/641049329.db2.gz SODFVCCMFGVDCF-UHFFFAOYSA-N 1 0 247.725 3.589 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230376113 641051561 /nfs/dbraw/zinc/05/15/61/641051561.db2.gz PYZDXYXLGGMRAO-OAHLLOKOSA-N 1 0 241.419 3.584 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000230376117 641051101 /nfs/dbraw/zinc/05/11/01/641051101.db2.gz PYZDXYXLGGMRAO-HNNXBMFYSA-N 1 0 241.419 3.584 20 30 BHEDRO C#CCCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000230390239 641049553 /nfs/dbraw/zinc/04/95/53/641049553.db2.gz YBYCXBJQNYCUGQ-UHFFFAOYSA-N 1 0 247.769 3.589 20 30 BHEDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000230401922 259647582 /nfs/dbraw/zinc/64/75/82/259647582.db2.gz IFLUJAIMVLJJJP-UMVBOHGHSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000230401925 259647506 /nfs/dbraw/zinc/64/75/06/259647506.db2.gz IFLUJAIMVLJJJP-VNHYZAJKSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000230401927 388637712 /nfs/dbraw/zinc/63/77/12/388637712.db2.gz IFLUJAIMVLJJJP-NFAWXSAZSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000230401929 386182128 /nfs/dbraw/zinc/18/21/28/386182128.db2.gz IFLUJAIMVLJJJP-IPYPFGDCSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000230407525 386194096 /nfs/dbraw/zinc/19/40/96/386194096.db2.gz KLAFFTSSGREAMS-UMVBOHGHSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000230407526 386179850 /nfs/dbraw/zinc/17/98/50/386179850.db2.gz KLAFFTSSGREAMS-VNHYZAJKSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000230407530 259647702 /nfs/dbraw/zinc/64/77/02/259647702.db2.gz KLAFFTSSGREAMS-NFAWXSAZSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000230407532 259647759 /nfs/dbraw/zinc/64/77/59/259647759.db2.gz KLAFFTSSGREAMS-IPYPFGDCSA-N 1 0 242.366 3.645 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230410450 363308231 /nfs/dbraw/zinc/30/82/31/363308231.db2.gz RLOHSAIWFPTXTO-SFYZADRCSA-N 1 0 215.749 3.627 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230410452 363308936 /nfs/dbraw/zinc/30/89/36/363308936.db2.gz RLOHSAIWFPTXTO-YUMQZZPRSA-N 1 0 215.749 3.627 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000230410456 363308387 /nfs/dbraw/zinc/30/83/87/363308387.db2.gz RLOHSAIWFPTXTO-HTQZYQBOSA-N 1 0 215.749 3.627 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000230410459 363308195 /nfs/dbraw/zinc/30/81/95/363308195.db2.gz RLOHSAIWFPTXTO-JGVFFNPUSA-N 1 0 215.749 3.627 20 30 BHEDRO CCc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000230649754 353520008 /nfs/dbraw/zinc/52/00/08/353520008.db2.gz GIMDEAVBUGVCRU-UHFFFAOYSA-N 1 0 244.382 3.669 20 30 BHEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000230653368 398294829 /nfs/dbraw/zinc/29/48/29/398294829.db2.gz UMTGHVSSSJEXKI-XEZPLFJOSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000230653381 386366096 /nfs/dbraw/zinc/36/60/96/386366096.db2.gz UMTGHVSSSJEXKI-HEHGZKQESA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000230659516 386371685 /nfs/dbraw/zinc/37/16/85/386371685.db2.gz LTHADFNVNPUBJJ-XEZPLFJOSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000230659523 398294819 /nfs/dbraw/zinc/29/48/19/398294819.db2.gz LTHADFNVNPUBJJ-HEHGZKQESA-N 1 0 242.366 3.645 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(CC)(CC)SC ZINC000230664778 641082401 /nfs/dbraw/zinc/08/24/01/641082401.db2.gz ZWYYIDAVMVNKFF-GFCCVEGCSA-N 1 0 229.433 3.853 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(CC)(CC)SC ZINC000230664783 641081707 /nfs/dbraw/zinc/08/17/07/641081707.db2.gz ZWYYIDAVMVNKFF-LBPRGKRZSA-N 1 0 229.433 3.853 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C(C)(C)C2CC2)cc1 ZINC000230673879 323397908 /nfs/dbraw/zinc/39/79/08/323397908.db2.gz UNXGARZVMKCBCF-UHFFFAOYSA-N 1 0 245.366 3.530 20 30 BHEDRO C#CCCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000230705388 641084525 /nfs/dbraw/zinc/08/45/25/641084525.db2.gz WGMPRXKUQJGAHC-UHFFFAOYSA-N 1 0 249.357 3.857 20 30 BHEDRO C#CCCC[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000230705696 641086647 /nfs/dbraw/zinc/08/66/47/641086647.db2.gz QVHITSPDIYSUFS-UHFFFAOYSA-N 1 0 235.415 3.984 20 30 BHEDRO C#CCCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000230706066 641087649 /nfs/dbraw/zinc/08/76/49/641087649.db2.gz OEKVLTJJEGIJKC-UHFFFAOYSA-N 1 0 221.388 3.594 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230771479 388830517 /nfs/dbraw/zinc/83/05/17/388830517.db2.gz KUYXMDPWMVCNHL-RRFJBIMHSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230771483 259324710 /nfs/dbraw/zinc/32/47/10/259324710.db2.gz KUYXMDPWMVCNHL-ZNMIVQPWSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000230775382 386883530 /nfs/dbraw/zinc/88/35/30/386883530.db2.gz GFJYIVLBLZNKFM-UONOGXRCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000230775385 386884922 /nfs/dbraw/zinc/88/49/22/386884922.db2.gz GFJYIVLBLZNKFM-ZIAGYGMSSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000230775388 386885119 /nfs/dbraw/zinc/88/51/19/386885119.db2.gz GFJYIVLBLZNKFM-KBPBESRZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000230775390 386884783 /nfs/dbraw/zinc/88/47/83/386884783.db2.gz GFJYIVLBLZNKFM-KGLIPLIRSA-N 1 0 236.403 3.731 20 30 BHEDRO CCCC[C@@H](CC)C[NH+]1CCC(C)(C#N)CC1 ZINC000230894086 388832241 /nfs/dbraw/zinc/83/22/41/388832241.db2.gz XNRCKVUJZLPWKO-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CCCC[C@H](CC)C[NH+]1CCC(C)(C#N)CC1 ZINC000230894089 388832163 /nfs/dbraw/zinc/83/21/63/388832163.db2.gz XNRCKVUJZLPWKO-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230997903 641124323 /nfs/dbraw/zinc/12/43/23/641124323.db2.gz DHSPUSMNFAIUGD-VXGBXAGGSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230997906 641123926 /nfs/dbraw/zinc/12/39/26/641123926.db2.gz DHSPUSMNFAIUGD-NEPJUHHUSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000230997909 641124288 /nfs/dbraw/zinc/12/42/88/641124288.db2.gz DHSPUSMNFAIUGD-NWDGAFQWSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000230997913 641124517 /nfs/dbraw/zinc/12/45/17/641124517.db2.gz DHSPUSMNFAIUGD-RYUDHWBXSA-N 1 0 215.768 3.543 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230997961 388834104 /nfs/dbraw/zinc/83/41/04/388834104.db2.gz HROAADOLWJDUNP-BFHYXJOUSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230997966 388833664 /nfs/dbraw/zinc/83/36/64/388833664.db2.gz HROAADOLWJDUNP-MJBXVCDLSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC000231747436 388841665 /nfs/dbraw/zinc/84/16/65/388841665.db2.gz RNRMHLONJVWIHQ-LLVKDONJSA-N 1 0 223.747 3.703 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC000231747439 388841801 /nfs/dbraw/zinc/84/18/01/388841801.db2.gz RNRMHLONJVWIHQ-NSHDSACASA-N 1 0 223.747 3.703 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000231837536 259653524 /nfs/dbraw/zinc/65/35/24/259653524.db2.gz RLBUMMOUOAEOST-HBNTYKKESA-N 1 0 235.293 3.662 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000231837542 388844073 /nfs/dbraw/zinc/84/40/73/388844073.db2.gz RLBUMMOUOAEOST-AXFHLTTASA-N 1 0 235.293 3.662 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccno1 ZINC000231881348 641212080 /nfs/dbraw/zinc/21/20/80/641212080.db2.gz OPNIPTGFDWBRLU-GFCCVEGCSA-N 1 0 224.348 3.513 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccno1 ZINC000231881351 641212221 /nfs/dbraw/zinc/21/22/21/641212221.db2.gz OPNIPTGFDWBRLU-LBPRGKRZSA-N 1 0 224.348 3.513 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)CCCCCCC ZINC000231881755 641210811 /nfs/dbraw/zinc/21/08/11/641210811.db2.gz RRVMTSKYVNKWGN-AWEZNQCLSA-N 1 0 209.377 3.738 20 30 BHEDRO C#CCCC[NH2+][C@H](C)CCCCCCC ZINC000231881756 641211513 /nfs/dbraw/zinc/21/15/13/641211513.db2.gz RRVMTSKYVNKWGN-CQSZACIVSA-N 1 0 209.377 3.738 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000231883865 641210757 /nfs/dbraw/zinc/21/07/57/641210757.db2.gz KYWPNNYSTZPTBF-CHWSQXEVSA-N 1 0 229.433 3.831 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000231883868 641210425 /nfs/dbraw/zinc/21/04/25/641210425.db2.gz KYWPNNYSTZPTBF-QWHCGFSZSA-N 1 0 229.433 3.831 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000231883869 641212021 /nfs/dbraw/zinc/21/20/21/641212021.db2.gz KYWPNNYSTZPTBF-OLZOCXBDSA-N 1 0 229.433 3.831 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCSC1 ZINC000231883872 641210847 /nfs/dbraw/zinc/21/08/47/641210847.db2.gz KYWPNNYSTZPTBF-STQMWFEESA-N 1 0 229.433 3.831 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000231888168 641214716 /nfs/dbraw/zinc/21/47/16/641214716.db2.gz QPQWXVHMMBWGSZ-SOUVJXGZSA-N 1 0 241.419 3.893 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000231888174 641214019 /nfs/dbraw/zinc/21/40/19/641214019.db2.gz QPQWXVHMMBWGSZ-KKUMJFAQSA-N 1 0 241.419 3.893 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000231901239 641217231 /nfs/dbraw/zinc/21/72/31/641217231.db2.gz XGZMDCJBXRLXHT-HUUCEWRRSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000231901242 641218302 /nfs/dbraw/zinc/21/83/02/641218302.db2.gz XGZMDCJBXRLXHT-LSDHHAIUSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000231901246 641217427 /nfs/dbraw/zinc/21/74/27/641217427.db2.gz XGZMDCJBXRLXHT-CABCVRRESA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000231901248 641218293 /nfs/dbraw/zinc/21/82/93/641218293.db2.gz XGZMDCJBXRLXHT-GJZGRUSLSA-N 1 0 241.419 3.752 20 30 BHEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1CCCC1(C)C ZINC000232512755 388851506 /nfs/dbraw/zinc/85/15/06/388851506.db2.gz TVJUMPNFCOGDKN-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C#N)CCCC[NH2+][C@H]1CCCC1(C)C ZINC000232513590 388851925 /nfs/dbraw/zinc/85/19/25/388851925.db2.gz TVJUMPNFCOGDKN-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C#N)CCCC[NH+](CC1CC1)CC1CC1 ZINC000232526782 388851174 /nfs/dbraw/zinc/85/11/74/388851174.db2.gz OKJPTSPFARDIMS-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC1(C)C ZINC000232527756 388851841 /nfs/dbraw/zinc/85/18/41/388851841.db2.gz RJPUVZLPDJSKGL-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1CCCCCC1 ZINC000232527822 388851778 /nfs/dbraw/zinc/85/17/78/388851778.db2.gz YVSOIZTWKFQBBM-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1CCCCCCC1 ZINC000232527845 641293717 /nfs/dbraw/zinc/29/37/17/641293717.db2.gz PJKJLFLKNZPJFZ-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000232530977 388851704 /nfs/dbraw/zinc/85/17/04/388851704.db2.gz WAWRHHFFJVGOBW-GJZGRUSLSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000232531065 259654971 /nfs/dbraw/zinc/65/49/71/259654971.db2.gz WAWRHHFFJVGOBW-CABCVRRESA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000232531620 342856336 /nfs/dbraw/zinc/85/63/36/342856336.db2.gz CINWXAFVYHYVIC-GJZGRUSLSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1Cc2ccccc2C1 ZINC000232532260 534979859 /nfs/dbraw/zinc/97/98/59/534979859.db2.gz VQJMLITUAJGWIZ-UHFFFAOYSA-N 1 0 242.366 3.722 20 30 BHEDRO CC(C)C1CC([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000232538651 386114352 /nfs/dbraw/zinc/11/43/52/386114352.db2.gz FSRJZJMTCFWBGO-JQRITLKVSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)C1CC([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000232539523 386116847 /nfs/dbraw/zinc/11/68/47/386116847.db2.gz FSRJZJMTCFWBGO-UWTIGNOOSA-N 1 0 242.366 3.643 20 30 BHEDRO C=CCCCCC[NH2+]C(C1CC1)C1CC1 ZINC000232573890 342860588 /nfs/dbraw/zinc/86/05/88/342860588.db2.gz RLJFJODPZNLECN-UHFFFAOYSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCCC[NH2+]Cc1cccs1 ZINC000232579776 342859578 /nfs/dbraw/zinc/85/95/78/342859578.db2.gz ZCKAISOBZVIINR-UHFFFAOYSA-N 1 0 209.358 3.584 20 30 BHEDRO C=CCCCCC[NH2+]Cc1ccsc1 ZINC000232580016 342859533 /nfs/dbraw/zinc/85/95/33/342859533.db2.gz XWZZIMVXXWHCGJ-UHFFFAOYSA-N 1 0 209.358 3.584 20 30 BHEDRO CC(C)C[N@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000232581463 388853141 /nfs/dbraw/zinc/85/31/41/388853141.db2.gz LYENNDUQUXUVAE-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)C[N@@H+](CCC#N)CCCCC(C)(C)C#N ZINC000232581752 641306819 /nfs/dbraw/zinc/30/68/19/641306819.db2.gz RKSQPOYEIBLUMM-UHFFFAOYSA-N 1 0 249.402 3.578 20 30 BHEDRO C=CCCCCC[N@H+](CCC#N)CC(C)C ZINC000232583283 711760902 /nfs/dbraw/zinc/76/09/02/711760902.db2.gz OOTQHDNOYBPVQW-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000232610696 641306603 /nfs/dbraw/zinc/30/66/03/641306603.db2.gz NEYGCAGIBHFZOH-LSDHHAIUSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000232612035 641307015 /nfs/dbraw/zinc/30/70/15/641307015.db2.gz NEYGCAGIBHFZOH-GJZGRUSLSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000232622201 641307033 /nfs/dbraw/zinc/30/70/33/641307033.db2.gz NEYGCAGIBHFZOH-HUUCEWRRSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000232623420 641308989 /nfs/dbraw/zinc/30/89/89/641308989.db2.gz NEYGCAGIBHFZOH-CABCVRRESA-N 1 0 221.388 3.594 20 30 BHEDRO CC(C)[N@H+](CCCCC(C)(C)C#N)CC1CC1 ZINC000232626443 342867918 /nfs/dbraw/zinc/86/79/18/342867918.db2.gz PADDBHMATDROHV-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000232687600 259656945 /nfs/dbraw/zinc/65/69/45/259656945.db2.gz LJEDKXWTJMREQW-CQSZACIVSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000232699564 388856611 /nfs/dbraw/zinc/85/66/11/388856611.db2.gz WBXGJVUSRIBHFR-CYBMUJFWSA-N 1 0 224.392 3.683 20 30 BHEDRO CC(C)[C@@H](C[NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000232700181 386820076 /nfs/dbraw/zinc/82/00/76/386820076.db2.gz RRDXSAHLYPEZRL-OAHLLOKOSA-N 1 0 244.382 3.566 20 30 BHEDRO C=C(C)C[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000232700867 388856595 /nfs/dbraw/zinc/85/65/95/388856595.db2.gz BTTSITKQHCSWND-OAHLLOKOSA-N 1 0 217.356 3.592 20 30 BHEDRO C=C(Cl)C[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000232700978 641363206 /nfs/dbraw/zinc/36/32/06/641363206.db2.gz SOVBMWLYLJCHNK-CQSZACIVSA-N 1 0 237.774 3.768 20 30 BHEDRO C#CCCCC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000232703984 641368171 /nfs/dbraw/zinc/36/81/71/641368171.db2.gz TXSDZLBVVNIPQM-QGZVFWFLSA-N 1 0 243.394 3.819 20 30 BHEDRO CC(C)[C@@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000232706378 388855978 /nfs/dbraw/zinc/85/59/78/388855978.db2.gz LOPOCWAYCXZFKF-AWEZNQCLSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000232715420 388856071 /nfs/dbraw/zinc/85/60/71/388856071.db2.gz QJTKMLMOMWPKHF-HOCLYGCPSA-N 1 0 231.383 3.980 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000232724336 259333130 /nfs/dbraw/zinc/33/31/30/259333130.db2.gz QJTKMLMOMWPKHF-ZBFHGGJFSA-N 1 0 231.383 3.980 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000232724908 388855732 /nfs/dbraw/zinc/85/57/32/388855732.db2.gz QJTKMLMOMWPKHF-GOEBONIOSA-N 1 0 231.383 3.980 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000232731757 641397608 /nfs/dbraw/zinc/39/76/08/641397608.db2.gz PHCPSAOCTZJYKB-HUUCEWRRSA-N 1 0 221.388 3.594 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000232731802 388855853 /nfs/dbraw/zinc/85/58/53/388855853.db2.gz QJTKMLMOMWPKHF-GDBMZVCRSA-N 1 0 231.383 3.980 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000232733926 641398753 /nfs/dbraw/zinc/39/87/53/641398753.db2.gz PHCPSAOCTZJYKB-LSDHHAIUSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000232735560 641399279 /nfs/dbraw/zinc/39/92/79/641399279.db2.gz PHCPSAOCTZJYKB-CABCVRRESA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000232736437 636064313 /nfs/dbraw/zinc/06/43/13/636064313.db2.gz PHCPSAOCTZJYKB-GJZGRUSLSA-N 1 0 221.388 3.594 20 30 BHEDRO CC(C)[C@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000232736657 259333402 /nfs/dbraw/zinc/33/34/02/259333402.db2.gz WBXGJVUSRIBHFR-ZDUSSCGKSA-N 1 0 224.392 3.683 20 30 BHEDRO CC(C)[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000232740124 388857352 /nfs/dbraw/zinc/85/73/52/388857352.db2.gz LJEDKXWTJMREQW-AWEZNQCLSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)[C@H](C[NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000232741988 386078561 /nfs/dbraw/zinc/07/85/61/386078561.db2.gz RRDXSAHLYPEZRL-HNNXBMFYSA-N 1 0 244.382 3.566 20 30 BHEDRO C=C(C)C[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000232742472 259657526 /nfs/dbraw/zinc/65/75/26/259657526.db2.gz BTTSITKQHCSWND-HNNXBMFYSA-N 1 0 217.356 3.592 20 30 BHEDRO C=C(Cl)C[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000232742550 641406734 /nfs/dbraw/zinc/40/67/34/641406734.db2.gz SOVBMWLYLJCHNK-AWEZNQCLSA-N 1 0 237.774 3.768 20 30 BHEDRO C#CCCCC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000232744931 641406728 /nfs/dbraw/zinc/40/67/28/641406728.db2.gz TXSDZLBVVNIPQM-KRWDZBQOSA-N 1 0 243.394 3.819 20 30 BHEDRO CC(C)[C@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000232749490 388857177 /nfs/dbraw/zinc/85/71/77/388857177.db2.gz LOPOCWAYCXZFKF-CQSZACIVSA-N 1 0 236.403 3.827 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000232802001 641677542 /nfs/dbraw/zinc/67/75/42/641677542.db2.gz AHHMKEVQHADFAX-INIZCTEOSA-N 1 0 241.378 3.802 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000232802841 641676590 /nfs/dbraw/zinc/67/65/90/641676590.db2.gz AHHMKEVQHADFAX-MRXNPFEDSA-N 1 0 241.378 3.802 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC(C)(C)C1 ZINC000232803522 388857383 /nfs/dbraw/zinc/85/73/83/388857383.db2.gz PWJRUALMTLQZET-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000232916082 388859088 /nfs/dbraw/zinc/85/90/88/388859088.db2.gz JQUMZNXHRRPXDJ-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CCCCCCCC[NH2+]CC1(SC)CC1 ZINC000232922232 642394676 /nfs/dbraw/zinc/39/46/76/642394676.db2.gz OABBYHOIHAFTSZ-UHFFFAOYSA-N 1 0 229.433 3.832 20 30 BHEDRO CCCCCCCC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000232937151 635520055 /nfs/dbraw/zinc/52/00/55/635520055.db2.gz CRHCRSUTQYJTSV-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000232937188 635522821 /nfs/dbraw/zinc/52/28/21/635522821.db2.gz CRHCRSUTQYJTSV-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000232940462 635519335 /nfs/dbraw/zinc/51/93/35/635519335.db2.gz CRHCRSUTQYJTSV-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCCC[NH2+][C@]1(C)CCO[C@H]1C ZINC000232940502 635520659 /nfs/dbraw/zinc/52/06/59/635520659.db2.gz CRHCRSUTQYJTSV-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCC[N@H+](CC)CCCCC(C)(C)C#N ZINC000232952390 259658651 /nfs/dbraw/zinc/65/86/51/259658651.db2.gz DZHQFMCVWXJMMW-UHFFFAOYSA-N 1 0 224.392 3.828 20 30 BHEDRO CCCCCCC[NH2+]Cc1ncc(C)s1 ZINC000232958315 642637731 /nfs/dbraw/zinc/63/77/31/642637731.db2.gz FRQXCIJBTPAYRA-UHFFFAOYSA-N 1 0 226.389 3.512 20 30 BHEDRO CCCC[N@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000232975932 259658531 /nfs/dbraw/zinc/65/85/31/259658531.db2.gz BCBCZKWTVCTIMO-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO CCC[NH+](CCC)CCCCC(C)(C)C#N ZINC000233016836 259659490 /nfs/dbraw/zinc/65/94/90/259659490.db2.gz ZKGHWFQHQCWACZ-UHFFFAOYSA-N 1 0 224.392 3.828 20 30 BHEDRO CCC[N@H+](CCCCC(C)(C)C#N)C(C)C ZINC000233041063 355329591 /nfs/dbraw/zinc/32/95/91/355329591.db2.gz FZOIIFFSXPYOFZ-UHFFFAOYSA-N 1 0 224.392 3.827 20 30 BHEDRO CCC[N@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000233041100 388860871 /nfs/dbraw/zinc/86/08/71/388860871.db2.gz HQLGIAPUKFCPPX-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[N@H+](CCCCC(C)(C)C#N)CC1CC1 ZINC000233042073 388860862 /nfs/dbraw/zinc/86/08/62/388860862.db2.gz ZTSBJTUYEWHIIA-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC(C)(C)[N@H+](C)CCCCC(C)(C)C#N ZINC000233068847 259334005 /nfs/dbraw/zinc/33/40/05/259334005.db2.gz LHZGZJMSJJSVMR-UHFFFAOYSA-N 1 0 224.392 3.827 20 30 BHEDRO CCC[C@@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000233275684 388864345 /nfs/dbraw/zinc/86/43/45/388864345.db2.gz LJIJLIWVWYAXFO-CYBMUJFWSA-N 1 0 224.392 3.827 20 30 BHEDRO C#C[C@@H](CCC)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000233295764 642657561 /nfs/dbraw/zinc/65/75/61/642657561.db2.gz WGIVIGWYNWUJLV-GJZGRUSLSA-N 1 0 233.330 3.668 20 30 BHEDRO C#C[C@@H](CCC)[NH2+][C@@H](CC)c1ccccc1 ZINC000233295771 642658323 /nfs/dbraw/zinc/65/83/23/642658323.db2.gz OBBYATNTXZBGPF-GJZGRUSLSA-N 1 0 215.340 3.529 20 30 BHEDRO C#C[C@@H](CCC)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000233296170 642658486 /nfs/dbraw/zinc/65/84/86/642658486.db2.gz WGIVIGWYNWUJLV-LSDHHAIUSA-N 1 0 233.330 3.668 20 30 BHEDRO C#C[C@@H](CCC)[NH2+][C@H](CC)c1ccccc1 ZINC000233296181 642657284 /nfs/dbraw/zinc/65/72/84/642657284.db2.gz OBBYATNTXZBGPF-LSDHHAIUSA-N 1 0 215.340 3.529 20 30 BHEDRO CCC[C@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000233335259 388345473 /nfs/dbraw/zinc/34/54/73/388345473.db2.gz LJIJLIWVWYAXFO-ZDUSSCGKSA-N 1 0 224.392 3.827 20 30 BHEDRO C#C[C@H](CCC)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000233358577 642665216 /nfs/dbraw/zinc/66/52/16/642665216.db2.gz WGIVIGWYNWUJLV-HUUCEWRRSA-N 1 0 233.330 3.668 20 30 BHEDRO C#C[C@H](CCC)[NH2+][C@H](CC)c1ccccc1 ZINC000233358589 642664789 /nfs/dbraw/zinc/66/47/89/642664789.db2.gz OBBYATNTXZBGPF-HUUCEWRRSA-N 1 0 215.340 3.529 20 30 BHEDRO C#C[C@H](CCC)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000233358621 642664746 /nfs/dbraw/zinc/66/47/46/642664746.db2.gz WGIVIGWYNWUJLV-CABCVRRESA-N 1 0 233.330 3.668 20 30 BHEDRO C#C[C@H](CCC)[NH2+][C@@H](CC)c1ccccc1 ZINC000233358627 642665921 /nfs/dbraw/zinc/66/59/21/642665921.db2.gz OBBYATNTXZBGPF-CABCVRRESA-N 1 0 215.340 3.529 20 30 BHEDRO CC[N@H+](CCCCC(C)(C)C#N)C1CCCC1 ZINC000233442950 388347472 /nfs/dbraw/zinc/34/74/72/388347472.db2.gz KIJKGHIMLZFASF-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO CC[N@H+](CCCCC(C)(C)C#N)CC(C)C ZINC000233443234 323103877 /nfs/dbraw/zinc/10/38/77/323103877.db2.gz KIGAFGQLSLZZQB-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO CC[C@@H](C)C[N@H+](C)CCCCC(C)(C)C#N ZINC000233827089 388349563 /nfs/dbraw/zinc/34/95/63/388349563.db2.gz BJANFBOBTINSAY-CYBMUJFWSA-N 1 0 224.392 3.684 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000233853227 388349206 /nfs/dbraw/zinc/34/92/06/388349206.db2.gz CKMLUMVATZXNAM-CHWSQXEVSA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@@H](C)[N@H+](CC)CCCCC(C)(C)C#N ZINC000233855350 342891788 /nfs/dbraw/zinc/89/17/88/342891788.db2.gz ZEAPFICSPACFPV-CYBMUJFWSA-N 1 0 224.392 3.827 20 30 BHEDRO CC[C@@H](C)[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000233862037 388349253 /nfs/dbraw/zinc/34/92/53/388349253.db2.gz CKMLUMVATZXNAM-OLZOCXBDSA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000233869615 388349820 /nfs/dbraw/zinc/34/98/20/388349820.db2.gz ODAZOWUWPZMMCQ-HOTGVXAUSA-N 1 0 244.382 3.708 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000233869851 388349615 /nfs/dbraw/zinc/34/96/15/388349615.db2.gz ODAZOWUWPZMMCQ-JKSUJKDBSA-N 1 0 244.382 3.708 20 30 BHEDRO CC[C@@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000233907479 388350514 /nfs/dbraw/zinc/35/05/14/388350514.db2.gz DVNALPMFLFFUEG-CQSZACIVSA-N 1 0 236.403 3.971 20 30 BHEDRO CC[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000233911490 388350891 /nfs/dbraw/zinc/35/08/91/388350891.db2.gz OFBHBJOCPLWWAM-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCCC(C)(C)C#N ZINC000233918308 388351062 /nfs/dbraw/zinc/35/10/62/388351062.db2.gz BJVLMVRFTTUATK-UONOGXRCSA-N 1 0 236.403 3.969 20 30 BHEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCCC(C)(C)C#N ZINC000233919951 388351050 /nfs/dbraw/zinc/35/10/50/388351050.db2.gz BJVLMVRFTTUATK-ZIAGYGMSSA-N 1 0 236.403 3.969 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000233920788 388350941 /nfs/dbraw/zinc/35/09/41/388350941.db2.gz KZIYKFXCRKJUJW-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H](C)[N@H+](CC)CCCCC(C)(C)C#N ZINC000233986601 350689218 /nfs/dbraw/zinc/68/92/18/350689218.db2.gz ZEAPFICSPACFPV-ZDUSSCGKSA-N 1 0 224.392 3.827 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000233990987 388351850 /nfs/dbraw/zinc/35/18/50/388351850.db2.gz CKMLUMVATZXNAM-STQMWFEESA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@H](C)C[N@H+](C)CCCCC(C)(C)C#N ZINC000233994794 386016057 /nfs/dbraw/zinc/01/60/57/386016057.db2.gz BJANFBOBTINSAY-ZDUSSCGKSA-N 1 0 224.392 3.684 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000234019942 259665335 /nfs/dbraw/zinc/66/53/35/259665335.db2.gz CKMLUMVATZXNAM-QWHCGFSZSA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000234039303 388352176 /nfs/dbraw/zinc/35/21/76/388352176.db2.gz ODAZOWUWPZMMCQ-CVEARBPZSA-N 1 0 244.382 3.708 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000234039697 388352596 /nfs/dbraw/zinc/35/25/96/388352596.db2.gz ODAZOWUWPZMMCQ-HZPDHXFCSA-N 1 0 244.382 3.708 20 30 BHEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCCC(C)(C)C#N ZINC000234046841 388352037 /nfs/dbraw/zinc/35/20/37/388352037.db2.gz BJVLMVRFTTUATK-KGLIPLIRSA-N 1 0 236.403 3.969 20 30 BHEDRO CC[C@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000234050541 259666779 /nfs/dbraw/zinc/66/67/79/259666779.db2.gz KZIYKFXCRKJUJW-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000234067436 388352933 /nfs/dbraw/zinc/35/29/33/388352933.db2.gz DVNALPMFLFFUEG-AWEZNQCLSA-N 1 0 236.403 3.971 20 30 BHEDRO CC[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000234078212 388353198 /nfs/dbraw/zinc/35/31/98/388353198.db2.gz OFBHBJOCPLWWAM-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCCCC(C)(C)C#N ZINC000234107263 388353206 /nfs/dbraw/zinc/35/32/06/388353206.db2.gz BJVLMVRFTTUATK-KBPBESRZSA-N 1 0 236.403 3.969 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)C1CCCC1 ZINC000234271121 388354467 /nfs/dbraw/zinc/35/44/67/388354467.db2.gz BJSSZANSJYVYNM-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)C1CCCCC1 ZINC000234271145 388353965 /nfs/dbraw/zinc/35/39/65/388353965.db2.gz IAMBNEGQNLVTTA-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)CC(C)(C)C ZINC000234271389 388354134 /nfs/dbraw/zinc/35/41/34/388354134.db2.gz FQOJUGVJPWXPGA-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)CC1CCCC1 ZINC000234271645 388354570 /nfs/dbraw/zinc/35/45/70/388354570.db2.gz JFHPBOJDAAHMLA-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO Cc1ccc(C[N@H+](C)CCCCC(C)(C)C#N)o1 ZINC000234272363 135038893 /nfs/dbraw/zinc/03/88/93/135038893.db2.gz ASDOHUQCIFNWKV-UHFFFAOYSA-N 1 0 248.370 3.740 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000234272609 136209081 /nfs/dbraw/zinc/20/90/81/136209081.db2.gz HKHPYJZQOINLEE-UHFFFAOYSA-N 1 0 244.382 3.838 20 30 BHEDRO Cc1occc1C[N@H+](C)CCCCC(C)(C)C#N ZINC000234272892 135039601 /nfs/dbraw/zinc/03/96/01/135039601.db2.gz MYVAFNHHTLPQFK-UHFFFAOYSA-N 1 0 248.370 3.740 20 30 BHEDRO C=CCCCCC[NH2+]Cc1cccc(COC)c1 ZINC000234785037 487877263 /nfs/dbraw/zinc/87/72/63/487877263.db2.gz PZJWHKGTJLLUKO-UHFFFAOYSA-N 1 0 247.382 3.669 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000235069759 259341197 /nfs/dbraw/zinc/34/11/97/259341197.db2.gz MGSPCMZIODTXBR-KWCYVHTRSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000235070283 388365258 /nfs/dbraw/zinc/36/52/58/388365258.db2.gz MGSPCMZIODTXBR-XBFCOCLRSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000235071273 388365086 /nfs/dbraw/zinc/36/50/86/388365086.db2.gz XCVRJWTWZFLWMA-NSHDSACASA-N 1 0 223.747 3.703 20 30 BHEDRO C=CCCCCC[NH2+]CC1(SC)CCC1 ZINC000235108048 342989043 /nfs/dbraw/zinc/98/90/43/342989043.db2.gz URBYSIOZBZPAHT-UHFFFAOYSA-N 1 0 227.417 3.608 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000235186516 487930559 /nfs/dbraw/zinc/93/05/59/487930559.db2.gz LXKIQRNWHNPMDS-MRVPVSSYSA-N 1 0 215.749 3.628 20 30 BHEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)C(C)(C)C ZINC000235191956 342990178 /nfs/dbraw/zinc/99/01/78/342990178.db2.gz QVPVZAUTTHPRGW-GFCCVEGCSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)C1CCCC1 ZINC000235192174 388366287 /nfs/dbraw/zinc/36/62/87/388366287.db2.gz JOTMXWLYFLOTHL-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1c(C)noc1C ZINC000235204394 566367045 /nfs/dbraw/zinc/36/70/45/566367045.db2.gz KSKQKVSOPKZSME-LLVKDONJSA-N 1 0 236.359 3.688 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000235204586 388366151 /nfs/dbraw/zinc/36/61/51/388366151.db2.gz DWABQLRQKQOQTA-CQSZACIVSA-N 1 0 242.366 3.955 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000235204727 259330663 /nfs/dbraw/zinc/33/06/63/259330663.db2.gz BIGPPIAVPZAFTR-CYBMUJFWSA-N 1 0 221.344 3.985 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1ccco1 ZINC000235205431 342997610 /nfs/dbraw/zinc/99/76/10/342997610.db2.gz KSEVKPUWMHTXLV-GFCCVEGCSA-N 1 0 207.317 3.677 20 30 BHEDRO C=C(C[NH2+]CC1(SC)CCC1)c1ccccc1 ZINC000235222374 357858424 /nfs/dbraw/zinc/85/84/24/357858424.db2.gz XJQXIBFMTGLNIH-UHFFFAOYSA-N 1 0 247.407 3.575 20 30 BHEDRO C[C@@H]1CCCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235231512 388366132 /nfs/dbraw/zinc/36/61/32/388366132.db2.gz FQNPHTKSYWVLSG-CQSZACIVSA-N 1 0 236.403 3.971 20 30 BHEDRO C[C@@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235241011 388366248 /nfs/dbraw/zinc/36/62/48/388366248.db2.gz SDYSBMGEAXLGNW-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)CC1 ZINC000235266642 344864175 /nfs/dbraw/zinc/86/41/75/344864175.db2.gz JIEULNLPBJJDKB-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235269306 388366611 /nfs/dbraw/zinc/36/66/11/388366611.db2.gz ORRICSDPUKSMHD-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000235279444 388366037 /nfs/dbraw/zinc/36/60/37/388366037.db2.gz JXKGKXLTXMKJCY-KGLIPLIRSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)CC1 ZINC000235286552 488054416 /nfs/dbraw/zinc/05/44/16/488054416.db2.gz JIEULNLPBJJDKB-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000235287783 388367809 /nfs/dbraw/zinc/36/78/09/388367809.db2.gz XJSSSPHLSLSOKA-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO C[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)[C@@H]1C ZINC000235287824 388367484 /nfs/dbraw/zinc/36/74/84/388367484.db2.gz MHRFEILMSODAKB-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235287889 388367186 /nfs/dbraw/zinc/36/71/86/388367186.db2.gz YHEVVILWXJDYKE-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CC[C@H](C)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235297642 388367511 /nfs/dbraw/zinc/36/75/11/388367511.db2.gz YHEVVILWXJDYKE-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCC(C)(C)C#N ZINC000235348338 388367535 /nfs/dbraw/zinc/36/75/35/388367535.db2.gz BTBZNJWXBCRVGA-ZIAGYGMSSA-N 1 0 236.403 3.969 20 30 BHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCC(C)(C)C#N)C1 ZINC000235375059 386159892 /nfs/dbraw/zinc/15/98/92/386159892.db2.gz TVKAWBHKNOBTEA-ZIAGYGMSSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000235422035 388368281 /nfs/dbraw/zinc/36/82/81/388368281.db2.gz XCVRJWTWZFLWMA-LLVKDONJSA-N 1 0 223.747 3.703 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000235500408 487597758 /nfs/dbraw/zinc/59/77/58/487597758.db2.gz LXKIQRNWHNPMDS-QMMMGPOBSA-N 1 0 215.749 3.628 20 30 BHEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)C1CCCC1 ZINC000235506427 388370688 /nfs/dbraw/zinc/37/06/88/388370688.db2.gz JOTMXWLYFLOTHL-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000235510868 537895990 /nfs/dbraw/zinc/89/59/90/537895990.db2.gz KSKQKVSOPKZSME-NSHDSACASA-N 1 0 236.359 3.688 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000235510914 388371060 /nfs/dbraw/zinc/37/10/60/388371060.db2.gz DWABQLRQKQOQTA-AWEZNQCLSA-N 1 0 242.366 3.955 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000235510950 388370809 /nfs/dbraw/zinc/37/08/09/388370809.db2.gz BIGPPIAVPZAFTR-ZDUSSCGKSA-N 1 0 221.344 3.985 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1ccco1 ZINC000235511130 343047686 /nfs/dbraw/zinc/04/76/86/343047686.db2.gz KSEVKPUWMHTXLV-LBPRGKRZSA-N 1 0 207.317 3.677 20 30 BHEDRO C[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000235542263 388372330 /nfs/dbraw/zinc/37/23/30/388372330.db2.gz XJSSSPHLSLSOKA-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235542293 388371462 /nfs/dbraw/zinc/37/14/62/388371462.db2.gz MHRFEILMSODAKB-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCC(C)(C)C#N ZINC000235545431 388372150 /nfs/dbraw/zinc/37/21/50/388372150.db2.gz BTBZNJWXBCRVGA-OKILXGFUSA-N 1 0 236.403 3.969 20 30 BHEDRO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1C ZINC000235551229 388372013 /nfs/dbraw/zinc/37/20/13/388372013.db2.gz JXKGKXLTXMKJCY-KBPBESRZSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)CC1 ZINC000235554686 344940332 /nfs/dbraw/zinc/94/03/32/344940332.db2.gz JIEULNLPBJJDKB-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]1CCCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235555819 386173860 /nfs/dbraw/zinc/17/38/60/386173860.db2.gz FQNPHTKSYWVLSG-AWEZNQCLSA-N 1 0 236.403 3.971 20 30 BHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCCCC(C)(C)C#N ZINC000235570609 388372235 /nfs/dbraw/zinc/37/22/35/388372235.db2.gz BTBZNJWXBCRVGA-KBPBESRZSA-N 1 0 236.403 3.969 20 30 BHEDRO C[C@H]1CCCC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235576559 259674361 /nfs/dbraw/zinc/67/43/61/259674361.db2.gz ORRICSDPUKSMHD-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235578260 259674024 /nfs/dbraw/zinc/67/40/24/259674024.db2.gz SDYSBMGEAXLGNW-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@H]1CCCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235579728 259674501 /nfs/dbraw/zinc/67/45/01/259674501.db2.gz ORRICSDPUKSMHD-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)CC1 ZINC000235580430 344946209 /nfs/dbraw/zinc/94/62/09/344946209.db2.gz JIEULNLPBJJDKB-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000235586712 388371924 /nfs/dbraw/zinc/37/19/24/388371924.db2.gz YHEVVILWXJDYKE-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CC[C@H](C)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235594724 388371654 /nfs/dbraw/zinc/37/16/54/388371654.db2.gz YHEVVILWXJDYKE-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000235648366 388374825 /nfs/dbraw/zinc/37/48/25/388374825.db2.gz TVKAWBHKNOBTEA-OKILXGFUSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCC(C)(C)C#N)C1 ZINC000235674257 259344685 /nfs/dbraw/zinc/34/46/85/259344685.db2.gz TVKAWBHKNOBTEA-KBPBESRZSA-N 1 0 236.403 3.684 20 30 BHEDRO C#CCCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000236130854 632885582 /nfs/dbraw/zinc/88/55/82/632885582.db2.gz KIMGTPGFQSYLKR-UHFFFAOYSA-N 1 0 237.293 3.517 20 30 BHEDRO CC(C)(C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000236605464 385180003 /nfs/dbraw/zinc/18/00/03/385180003.db2.gz ZFGYFVQZDXDHTB-UHFFFAOYSA-N 1 0 244.382 3.864 20 30 BHEDRO CC(C)(C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC000236605535 385181828 /nfs/dbraw/zinc/18/18/28/385181828.db2.gz DMTHBBUOCGPGRX-UHFFFAOYSA-N 1 0 244.382 3.864 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1ccc(C#N)o1 ZINC000236635481 633211458 /nfs/dbraw/zinc/21/14/58/633211458.db2.gz KVWXAXDQGIXFQI-UHFFFAOYSA-N 1 0 248.370 3.991 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]C1(CO)CCCC1 ZINC000236640458 635604909 /nfs/dbraw/zinc/60/49/09/635604909.db2.gz KUNVFYLVAHDLNZ-CQSZACIVSA-N 1 0 241.419 3.630 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]C1(CO)CCCC1 ZINC000236642001 633225101 /nfs/dbraw/zinc/22/51/01/633225101.db2.gz KUNVFYLVAHDLNZ-AWEZNQCLSA-N 1 0 241.419 3.630 20 30 BHEDRO CC(C)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000236660927 325323308 /nfs/dbraw/zinc/32/33/08/325323308.db2.gz UCNIDNWDGFHKBB-UHFFFAOYSA-N 1 0 244.382 3.720 20 30 BHEDRO CC(C)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000236661092 325323700 /nfs/dbraw/zinc/32/37/00/325323700.db2.gz ZZXQNDVNRJPTKJ-UHFFFAOYSA-N 1 0 244.382 3.720 20 30 BHEDRO CC1CCC(C)([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000236662562 134832389 /nfs/dbraw/zinc/83/23/89/134832389.db2.gz DGVXUGORICZVJS-UHFFFAOYSA-N 1 0 242.366 3.617 20 30 BHEDRO C=CCSCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000236699173 384561709 /nfs/dbraw/zinc/56/17/09/384561709.db2.gz LBFDTKKIECZUHB-OWBHPGMISA-N 1 0 247.407 3.599 20 30 BHEDRO CC(C)(C)c1ccc(C[NH2+]CCCCC#N)cc1 ZINC000236745410 135067959 /nfs/dbraw/zinc/06/79/59/135067959.db2.gz OKINQIRWIIUAOZ-UHFFFAOYSA-N 1 0 244.382 3.768 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C(C)(C)CCC)c1 ZINC000236767208 344402877 /nfs/dbraw/zinc/40/28/77/344402877.db2.gz DKWNHRAINPSSOY-UHFFFAOYSA-N 1 0 247.382 3.920 20 30 BHEDRO CCCC(CCC)[NH2+]Cc1ccc(C#N)cc1F ZINC000236776008 346909507 /nfs/dbraw/zinc/90/95/07/346909507.db2.gz BFMYTKRGNKXRFB-UHFFFAOYSA-N 1 0 248.345 3.756 20 30 BHEDRO CCCC[C@@H](CCC)C[NH2+]Cc1ccc(C#N)o1 ZINC000236793612 325331359 /nfs/dbraw/zinc/33/13/59/325331359.db2.gz AICPVUQWVACYRZ-CYBMUJFWSA-N 1 0 248.370 3.847 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C(C)(C)CC)c1 ZINC000236858627 344406642 /nfs/dbraw/zinc/40/66/42/344406642.db2.gz GJQZPLFPZPHNCN-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C(C)(CC)CC)c1 ZINC000236863439 347302747 /nfs/dbraw/zinc/30/27/47/347302747.db2.gz WYLAVSPHKRPMMK-UHFFFAOYSA-N 1 0 247.382 3.920 20 30 BHEDRO CCCC[C@H](CCC)C[NH2+]Cc1ccc(C#N)o1 ZINC000236875508 325335877 /nfs/dbraw/zinc/33/58/77/325335877.db2.gz AICPVUQWVACYRZ-ZDUSSCGKSA-N 1 0 248.370 3.847 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000237377727 259351126 /nfs/dbraw/zinc/35/11/26/259351126.db2.gz IETZCEZJNANULE-CYBMUJFWSA-N 1 0 244.382 3.863 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000237377897 259682962 /nfs/dbraw/zinc/68/29/62/259682962.db2.gz MWLHPAXKJVEMCI-CYBMUJFWSA-N 1 0 244.382 3.863 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000237413185 537947132 /nfs/dbraw/zinc/94/71/32/537947132.db2.gz GBKNXNRHSALVCI-CYBMUJFWSA-N 1 0 241.334 3.919 20 30 BHEDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000237496067 387065374 /nfs/dbraw/zinc/06/53/74/387065374.db2.gz IETZCEZJNANULE-ZDUSSCGKSA-N 1 0 244.382 3.863 20 30 BHEDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000237496181 387064479 /nfs/dbraw/zinc/06/44/79/387064479.db2.gz MWLHPAXKJVEMCI-ZDUSSCGKSA-N 1 0 244.382 3.863 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000237562734 537947362 /nfs/dbraw/zinc/94/73/62/537947362.db2.gz GBKNXNRHSALVCI-ZDUSSCGKSA-N 1 0 241.334 3.919 20 30 BHEDRO N#CCCCC[NH2+]Cc1csc2ccccc12 ZINC000237816628 135072761 /nfs/dbraw/zinc/07/27/61/135072761.db2.gz YWTLHPXYEBGVPD-UHFFFAOYSA-N 1 0 244.363 3.685 20 30 BHEDRO N#CCCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000237817415 135072777 /nfs/dbraw/zinc/07/27/77/135072777.db2.gz YWPJLKCHWAVQJW-UHFFFAOYSA-N 1 0 238.334 3.623 20 30 BHEDRO N#Cc1ccc(C[NH2+]CC2CCCCCCC2)o1 ZINC000237840676 181108247 /nfs/dbraw/zinc/10/82/47/181108247.db2.gz YXPOOPPMDSRQME-UHFFFAOYSA-N 1 0 246.354 3.601 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1C ZINC000238469663 323000208 /nfs/dbraw/zinc/00/02/08/323000208.db2.gz CGQSTLABKCDKDI-UHFFFAOYSA-N 1 0 217.356 3.687 20 30 BHEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCC(C)(C)C#N ZINC000245407807 388576575 /nfs/dbraw/zinc/57/65/75/388576575.db2.gz CYILJEQVXVKZEV-QLFBSQMISA-N 1 0 248.414 3.969 20 30 BHEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCC(C)(C)C#N ZINC000245407808 388576286 /nfs/dbraw/zinc/57/62/86/388576286.db2.gz CYILJEQVXVKZEV-RBSFLKMASA-N 1 0 248.414 3.969 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@H]1c1cccc(F)c1 ZINC000245412077 398115861 /nfs/dbraw/zinc/11/58/61/398115861.db2.gz ZVDYTLNCOAKRIB-IUODEOHRSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H]1CC[N@H+](CCCC#N)[C@H]1c1cccc(F)c1 ZINC000245412078 398115605 /nfs/dbraw/zinc/11/56/05/398115605.db2.gz ZVDYTLNCOAKRIB-SWLSCSKDSA-N 1 0 246.329 3.512 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245555637 387960300 /nfs/dbraw/zinc/96/03/00/387960300.db2.gz IKWKXUALECGGAK-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245555639 387960028 /nfs/dbraw/zinc/96/00/28/387960028.db2.gz IKWKXUALECGGAK-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H](C)C#N ZINC000245727611 388600427 /nfs/dbraw/zinc/60/04/27/388600427.db2.gz BSJUVNHXLSJNIT-HIFRSBDPSA-N 1 0 230.355 3.619 20 30 BHEDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H](C)C#N ZINC000245727615 388601508 /nfs/dbraw/zinc/60/15/08/388601508.db2.gz BSJUVNHXLSJNIT-UKRRQHHQSA-N 1 0 230.355 3.619 20 30 BHEDRO CC[C@@H](c1ccc(F)cc1)[N@H+](CC)C[C@H](C)C#N ZINC000245762558 388603498 /nfs/dbraw/zinc/60/34/98/388603498.db2.gz ITTNEQNEVRGMJI-DOMZBBRYSA-N 1 0 248.345 3.758 20 30 BHEDRO CC[C@H](c1ccc(F)cc1)[N@H+](CC)C[C@H](C)C#N ZINC000245762562 388603646 /nfs/dbraw/zinc/60/36/46/388603646.db2.gz ITTNEQNEVRGMJI-IUODEOHRSA-N 1 0 248.345 3.758 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCc2ccccc21 ZINC000245766044 388603189 /nfs/dbraw/zinc/60/31/89/388603189.db2.gz JKBUTPQLGNNSGS-BBRMVZONSA-N 1 0 242.366 3.546 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCc2ccccc21 ZINC000245766048 388603144 /nfs/dbraw/zinc/60/31/44/388603144.db2.gz JKBUTPQLGNNSGS-CJNGLKHVSA-N 1 0 242.366 3.546 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1cccc(C)c1 ZINC000245768236 388604418 /nfs/dbraw/zinc/60/44/18/388604418.db2.gz JWLIRNQNNXOSSB-UONOGXRCSA-N 1 0 230.355 3.538 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cccc(C)c1 ZINC000245768239 388604523 /nfs/dbraw/zinc/60/45/23/388604523.db2.gz JWLIRNQNNXOSSB-ZIAGYGMSSA-N 1 0 230.355 3.538 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1ccccc1C ZINC000245796659 487731057 /nfs/dbraw/zinc/73/10/57/487731057.db2.gz OSNPGPWEKDYBIC-GXTWGEPZSA-N 1 0 230.355 3.538 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1ccccc1C ZINC000245796662 487730953 /nfs/dbraw/zinc/73/09/53/487730953.db2.gz OSNPGPWEKDYBIC-TZMCWYRMSA-N 1 0 230.355 3.538 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccc(C#N)c1 ZINC000245822546 388432229 /nfs/dbraw/zinc/43/22/29/388432229.db2.gz ALAQOPYXDGBSIM-XEZPLFJOSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccc(C#N)c1 ZINC000245822550 388432689 /nfs/dbraw/zinc/43/26/89/388432689.db2.gz ALAQOPYXDGBSIM-XJKCOSOUSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(C#N)cc1 ZINC000245865401 325531201 /nfs/dbraw/zinc/53/12/01/325531201.db2.gz IMKWENMSMYECOJ-XEZPLFJOSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(C#N)cc1 ZINC000245865406 325531297 /nfs/dbraw/zinc/53/12/97/325531297.db2.gz IMKWENMSMYECOJ-XJKCOSOUSA-N 1 0 242.366 3.788 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000245903986 323007775 /nfs/dbraw/zinc/00/77/75/323007775.db2.gz FAFCNJGXKYFOGY-AVGNSLFASA-N 1 0 239.403 3.523 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000245903988 323007851 /nfs/dbraw/zinc/00/78/51/323007851.db2.gz FAFCNJGXKYFOGY-XQQFMLRXSA-N 1 0 239.403 3.523 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245919448 388434903 /nfs/dbraw/zinc/43/49/03/388434903.db2.gz NPZZDFWSWPFFDH-HZSPNIEDSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245919452 388284927 /nfs/dbraw/zinc/28/49/27/388284927.db2.gz NPZZDFWSWPFFDH-MCIONIFRSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245919454 388284802 /nfs/dbraw/zinc/28/48/02/388284802.db2.gz NPZZDFWSWPFFDH-MGPQQGTHSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)C[C@@H](C)C1 ZINC000246133533 388439238 /nfs/dbraw/zinc/43/92/38/388439238.db2.gz FKBHHGSJHRNHCD-PJXYFTJBSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000246174754 388237874 /nfs/dbraw/zinc/23/78/74/388237874.db2.gz JPAJXTAFCFVNAU-YABSGUDNSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246268509 374235428 /nfs/dbraw/zinc/23/54/28/374235428.db2.gz AXGHDBGWHKLVRX-HZSPNIEDSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246268512 374235363 /nfs/dbraw/zinc/23/53/63/374235363.db2.gz AXGHDBGWHKLVRX-MGPQQGTHSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)[C@H]1C ZINC000246270322 388441905 /nfs/dbraw/zinc/44/19/05/388441905.db2.gz VTIXWKTXODRFRI-SUNKGSAMSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)cs2)[C@H]1C ZINC000246270336 388441967 /nfs/dbraw/zinc/44/19/67/388441967.db2.gz VTIXWKTXODRFRI-UHIISALHSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000246301893 388442532 /nfs/dbraw/zinc/44/25/32/388442532.db2.gz FIYJWMISGIPURJ-CHWSQXEVSA-N 1 0 230.355 3.597 20 30 BHEDRO CC[C@H](C)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000246301900 388442491 /nfs/dbraw/zinc/44/24/91/388442491.db2.gz FIYJWMISGIPURJ-QWHCGFSZSA-N 1 0 230.355 3.597 20 30 BHEDRO CC[C@H]1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246363365 374252572 /nfs/dbraw/zinc/25/25/72/374252572.db2.gz LKNPWPFXGUSAQJ-KGLIPLIRSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246363375 374252186 /nfs/dbraw/zinc/25/21/86/374252186.db2.gz LKNPWPFXGUSAQJ-ZIAGYGMSSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000246386802 398331021 /nfs/dbraw/zinc/33/10/21/398331021.db2.gz NUZOXTMOOVVKDL-UONOGXRCSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000246386817 398330949 /nfs/dbraw/zinc/33/09/49/398330949.db2.gz NUZOXTMOOVVKDL-ZIAGYGMSSA-N 1 0 242.366 3.741 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000246428229 644588061 /nfs/dbraw/zinc/58/80/61/644588061.db2.gz NREDNYFDFXSSPI-KGLIPLIRSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000246428240 644587940 /nfs/dbraw/zinc/58/79/40/644587940.db2.gz NREDNYFDFXSSPI-ZIAGYGMSSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000246483114 323009032 /nfs/dbraw/zinc/00/90/32/323009032.db2.gz RKLPIJMMTDRTBM-IHRRRGAJSA-N 1 0 247.382 3.741 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000246483144 323009044 /nfs/dbraw/zinc/00/90/44/323009044.db2.gz RKLPIJMMTDRTBM-MELADBBJSA-N 1 0 247.382 3.741 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000246544129 388642530 /nfs/dbraw/zinc/64/25/30/388642530.db2.gz WBYPPNOBQWOHCW-FVQBIDKESA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000246544140 325571252 /nfs/dbraw/zinc/57/12/52/325571252.db2.gz WBYPPNOBQWOHCW-VNQPRFMTSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000246687840 388648404 /nfs/dbraw/zinc/64/84/04/388648404.db2.gz MEVOFMJQMSFWSB-KBPBESRZSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000246687874 388648768 /nfs/dbraw/zinc/64/87/68/388648768.db2.gz MEVOFMJQMSFWSB-KGLIPLIRSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1C ZINC000246822920 388652252 /nfs/dbraw/zinc/65/22/52/388652252.db2.gz JGNQGJZJPBVTDO-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1C ZINC000246822960 388652442 /nfs/dbraw/zinc/65/24/42/388652442.db2.gz JGNQGJZJPBVTDO-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)cs2)C[C@H]1C ZINC000246854993 342730164 /nfs/dbraw/zinc/73/01/64/342730164.db2.gz LTMXYIQRELPXRY-NQBHXWOUSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)C[C@H]1C ZINC000246855025 342730146 /nfs/dbraw/zinc/73/01/46/342730146.db2.gz LTMXYIQRELPXRY-WZRBSPASSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H](C)C1 ZINC000246882231 325581320 /nfs/dbraw/zinc/58/13/20/325581320.db2.gz CURNYYHQMZCLGT-GDNZZTSVSA-N 1 0 248.395 3.534 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000246958716 325582991 /nfs/dbraw/zinc/58/29/91/325582991.db2.gz ILBQFHULYZYNLD-OBJOEFQTSA-N 1 0 233.355 3.847 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000246958725 323011469 /nfs/dbraw/zinc/01/14/69/323011469.db2.gz ILBQFHULYZYNLD-SCRDCRAPSA-N 1 0 233.355 3.847 20 30 BHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCC#N ZINC000247007898 517481673 /nfs/dbraw/zinc/48/16/73/517481673.db2.gz MAMVGOUCOKJLOM-KFWWJZLASA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000247124892 325586511 /nfs/dbraw/zinc/58/65/11/325586511.db2.gz GCOFMLMCSKHSLQ-YABSGUDNSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC000247320884 385045450 /nfs/dbraw/zinc/04/54/50/385045450.db2.gz LEQOSLCFYBCFRG-SUNKGSAMSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC000247320903 385045568 /nfs/dbraw/zinc/04/55/68/385045568.db2.gz LEQOSLCFYBCFRG-UHIISALHSA-N 1 0 248.395 3.534 20 30 BHEDRO C=CC[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000248138585 359256234 /nfs/dbraw/zinc/25/62/34/359256234.db2.gz ATPSBGIBOUIIKC-UHFFFAOYSA-N 1 0 240.350 3.533 20 30 BHEDRO C=CC[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000248253925 537817369 /nfs/dbraw/zinc/81/73/69/537817369.db2.gz QYJABJLALQABTJ-INIZCTEOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CC[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000248253928 537817601 /nfs/dbraw/zinc/81/76/01/537817601.db2.gz QYJABJLALQABTJ-MRXNPFEDSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CC[N@@H+](CCCCC)Cc1cccs1 ZINC000248267799 388675293 /nfs/dbraw/zinc/67/52/93/388675293.db2.gz OZFONLSXJARYGU-UHFFFAOYSA-N 1 0 223.385 3.926 20 30 BHEDRO C=C(C)C[N@H+](CC)CCOc1cc(C)ccc1C ZINC000248273490 323017318 /nfs/dbraw/zinc/01/73/18/323017318.db2.gz XGXFFIKRFJQUCR-UHFFFAOYSA-N 1 0 247.382 3.580 20 30 BHEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)[C@H]2CCCC[C@@H]12 ZINC000248375544 388677033 /nfs/dbraw/zinc/67/70/33/388677033.db2.gz XCJZUTNGRDUACF-ILXRZTDVSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)[C@@H]2CCCC[C@H]21 ZINC000248375545 388677861 /nfs/dbraw/zinc/67/78/61/388677861.db2.gz XCJZUTNGRDUACF-QLFBSQMISA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)[C@@H]2CCCC[C@@H]21 ZINC000248375547 388677565 /nfs/dbraw/zinc/67/75/65/388677565.db2.gz XCJZUTNGRDUACF-RBSFLKMASA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@H]2CCCC[C@@H]12 ZINC000248420814 388679339 /nfs/dbraw/zinc/67/93/39/388679339.db2.gz LZZOMSZWIHZJAV-ILXRZTDVSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@@H]2CCCC[C@H]21 ZINC000248420816 388678869 /nfs/dbraw/zinc/67/88/69/388678869.db2.gz LZZOMSZWIHZJAV-QLFBSQMISA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@@H]2CCCC[C@@H]21 ZINC000248420818 388678713 /nfs/dbraw/zinc/67/87/13/388678713.db2.gz LZZOMSZWIHZJAV-RBSFLKMASA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000248538862 349136462 /nfs/dbraw/zinc/13/64/62/349136462.db2.gz APHRAUATHHZBBR-WDNDVIMCSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@H](C)C1 ZINC000248547586 386948871 /nfs/dbraw/zinc/94/88/71/386948871.db2.gz GGGUCRVMVWFZEZ-UONOGXRCSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000248547589 386948038 /nfs/dbraw/zinc/94/80/38/386948038.db2.gz GGGUCRVMVWFZEZ-ZIAGYGMSSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C[C@H]1C ZINC000248562721 388684195 /nfs/dbraw/zinc/68/41/95/388684195.db2.gz BDWCVTRGXCVFPV-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C[C@H]1C ZINC000248562727 388684423 /nfs/dbraw/zinc/68/44/23/388684423.db2.gz BDWCVTRGXCVFPV-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248711784 388690880 /nfs/dbraw/zinc/69/08/80/388690880.db2.gz BKKKTIFHRAVHBG-RRFJBIMHSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248711786 388691188 /nfs/dbraw/zinc/69/11/88/388691188.db2.gz BKKKTIFHRAVHBG-ZNMIVQPWSA-N 1 0 236.403 3.873 20 30 BHEDRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248817765 644699998 /nfs/dbraw/zinc/69/99/98/644699998.db2.gz LAXJGQFKSORZIW-BFHYXJOUSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248817769 643216515 /nfs/dbraw/zinc/21/65/15/643216515.db2.gz LAXJGQFKSORZIW-MJBXVCDLSA-N 1 0 222.376 3.627 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248827560 388694026 /nfs/dbraw/zinc/69/40/26/388694026.db2.gz MDGVOJGRZIEONN-MCIONIFRSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248827567 388694473 /nfs/dbraw/zinc/69/44/73/388694473.db2.gz MDGVOJGRZIEONN-MGPQQGTHSA-N 1 0 236.403 3.873 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248831178 388695801 /nfs/dbraw/zinc/69/58/01/388695801.db2.gz MMYBJWGHQBTFLG-LZWOXQAQSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248831179 388695624 /nfs/dbraw/zinc/69/56/24/388695624.db2.gz MMYBJWGHQBTFLG-SQWLQELKSA-N 1 0 242.366 3.728 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248832043 388695264 /nfs/dbraw/zinc/69/52/64/388695264.db2.gz MPQWTYHBDVWKQT-MCIONIFRSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248832052 325622897 /nfs/dbraw/zinc/62/28/97/325622897.db2.gz MPQWTYHBDVWKQT-RDBSUJKOSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248863435 388696700 /nfs/dbraw/zinc/69/67/00/388696700.db2.gz PWYOCNNMPFSNNQ-GUTXKFCHSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248863438 325624598 /nfs/dbraw/zinc/62/45/98/325624598.db2.gz PWYOCNNMPFSNNQ-GZBFAFLISA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248885621 325625954 /nfs/dbraw/zinc/62/59/54/325625954.db2.gz SAYOZWZYYFSZCW-APIJFGDWSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248885625 325625767 /nfs/dbraw/zinc/62/57/67/325625767.db2.gz SAYOZWZYYFSZCW-KBXIAJHMSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248885629 388697968 /nfs/dbraw/zinc/69/79/68/388697968.db2.gz SAYOZWZYYFSZCW-QPSCCSFWSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C)CC1 ZINC000248926127 398072380 /nfs/dbraw/zinc/07/23/80/398072380.db2.gz LQYUDHUXZSLHEX-UONOGXRCSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000248926128 398072228 /nfs/dbraw/zinc/07/22/28/398072228.db2.gz LQYUDHUXZSLHEX-ZIAGYGMSSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@H](C)C1 ZINC000248966897 387544717 /nfs/dbraw/zinc/54/47/17/387544717.db2.gz RYIMPDUYAWMAPC-UONOGXRCSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000248966899 387545220 /nfs/dbraw/zinc/54/52/20/387545220.db2.gz RYIMPDUYAWMAPC-ZIAGYGMSSA-N 1 0 242.366 3.741 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)c(C)o1 ZINC000249037786 388704509 /nfs/dbraw/zinc/70/45/09/388704509.db2.gz TUIOPMLIYGDDQL-IACUBPJLSA-N 1 0 246.354 3.629 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)c(C)o1 ZINC000249037788 388704571 /nfs/dbraw/zinc/70/45/71/388704571.db2.gz TUIOPMLIYGDDQL-YUTCNCBUSA-N 1 0 246.354 3.629 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000249037932 388704588 /nfs/dbraw/zinc/70/45/88/388704588.db2.gz TYHMZMOREXWMDR-APIJFGDWSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000249037933 384976175 /nfs/dbraw/zinc/97/61/75/384976175.db2.gz TYHMZMOREXWMDR-KBXIAJHMSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000249037934 384974926 /nfs/dbraw/zinc/97/49/26/384974926.db2.gz TYHMZMOREXWMDR-QPSCCSFWSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[N@H+](CC[C@H](C)c1ccccc1)C[C@H](C)C#N ZINC000249051881 388706125 /nfs/dbraw/zinc/70/61/25/388706125.db2.gz XSJCPTWWHKHDCE-CABCVRRESA-N 1 0 244.382 3.662 20 30 BHEDRO CC[N@H+](CC[C@@H](C)c1ccccc1)C[C@H](C)C#N ZINC000249051882 388705751 /nfs/dbraw/zinc/70/57/51/388705751.db2.gz XSJCPTWWHKHDCE-HUUCEWRRSA-N 1 0 244.382 3.662 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000249053730 325634595 /nfs/dbraw/zinc/63/45/95/325634595.db2.gz YBZKOKLGILDRLB-FPCVCCKLSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000249053733 325634619 /nfs/dbraw/zinc/63/46/19/325634619.db2.gz YBZKOKLGILDRLB-FZKCQIBNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249053736 325634712 /nfs/dbraw/zinc/63/47/12/325634712.db2.gz YBZKOKLGILDRLB-WCVJEAGWSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249114776 387970646 /nfs/dbraw/zinc/97/06/46/387970646.db2.gz DEYMRNOTCBLISD-HZSPNIEDSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000249114780 325637730 /nfs/dbraw/zinc/63/77/30/325637730.db2.gz DEYMRNOTCBLISD-MGPQQGTHSA-N 1 0 242.366 3.597 20 30 BHEDRO CC[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249121826 388006299 /nfs/dbraw/zinc/00/62/99/388006299.db2.gz AHLRLUKYIQRNJL-KGLIPLIRSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249121828 388006480 /nfs/dbraw/zinc/00/64/80/388006480.db2.gz AHLRLUKYIQRNJL-ZIAGYGMSSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000249260078 388099252 /nfs/dbraw/zinc/09/92/52/388099252.db2.gz HMXIBDOKDTYDMO-HZSPNIEDSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000249260082 388099269 /nfs/dbraw/zinc/09/92/69/388099269.db2.gz HMXIBDOKDTYDMO-MCIONIFRSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000249260085 388098761 /nfs/dbraw/zinc/09/87/61/388098761.db2.gz HMXIBDOKDTYDMO-MGPQQGTHSA-N 1 0 242.366 3.597 20 30 BHEDRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000249291091 388230471 /nfs/dbraw/zinc/23/04/71/388230471.db2.gz VRMQWSPCPKZRLK-CHWSQXEVSA-N 1 0 230.355 3.597 20 30 BHEDRO CC[C@H](C)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000249291094 388230736 /nfs/dbraw/zinc/23/07/36/388230736.db2.gz VRMQWSPCPKZRLK-QWHCGFSZSA-N 1 0 230.355 3.597 20 30 BHEDRO CC[N@H+](CCCCC#N)[C@H]1CCCC[C@H]1C ZINC000249306911 388716317 /nfs/dbraw/zinc/71/63/17/388716317.db2.gz DCTLLRKQFDRMRS-KGLIPLIRSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[N@H+](CCCCC#N)[C@@H]1CCCC[C@H]1C ZINC000249306913 388714205 /nfs/dbraw/zinc/71/42/05/388714205.db2.gz DCTLLRKQFDRMRS-ZIAGYGMSSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000249328057 322870180 /nfs/dbraw/zinc/87/01/80/322870180.db2.gz VDDBFLVPDINBOB-RWMBFGLXSA-N 1 0 230.355 3.643 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000249328061 491081997 /nfs/dbraw/zinc/08/19/97/491081997.db2.gz VDDBFLVPDINBOB-YNEHKIRRSA-N 1 0 230.355 3.643 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000249778649 322870290 /nfs/dbraw/zinc/87/02/90/322870290.db2.gz ONNGVTUEAINFHU-RWMBFGLXSA-N 1 0 230.355 3.643 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000249778652 322870607 /nfs/dbraw/zinc/87/06/07/322870607.db2.gz ONNGVTUEAINFHU-YNEHKIRRSA-N 1 0 230.355 3.643 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000250831773 644782750 /nfs/dbraw/zinc/78/27/50/644782750.db2.gz RRZONJNTUDQFID-RRFJBIMHSA-N 1 0 241.419 3.629 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250832747 644782120 /nfs/dbraw/zinc/78/21/20/644782120.db2.gz SDFDFIULRJCKBF-QDMKHBRRSA-N 1 0 241.419 3.893 20 30 BHEDRO C[C@H](C#N)C[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000251138222 388744952 /nfs/dbraw/zinc/74/49/52/388744952.db2.gz VWTNMBFUVFIYHP-KBMXLJTQSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](C#N)C[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000251138227 388745175 /nfs/dbraw/zinc/74/51/75/388745175.db2.gz VWTNMBFUVFIYHP-VNQPRFMTSA-N 1 0 248.414 3.875 20 30 BHEDRO CCCC[C@H](CC)C[N@H+](CC)C[C@H](C)C#N ZINC000251309585 384914682 /nfs/dbraw/zinc/91/46/82/384914682.db2.gz IRWMTXRNDCRMOE-KGLIPLIRSA-N 1 0 224.392 3.684 20 30 BHEDRO CCCC[C@@H](CC)C[N@H+](CC)C[C@H](C)C#N ZINC000251309589 384914182 /nfs/dbraw/zinc/91/41/82/384914182.db2.gz IRWMTXRNDCRMOE-ZIAGYGMSSA-N 1 0 224.392 3.684 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000251333111 636759590 /nfs/dbraw/zinc/75/95/90/636759590.db2.gz IWXISXPBWQFNKF-BYNSBNAKSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000251333114 636759741 /nfs/dbraw/zinc/75/97/41/636759741.db2.gz IWXISXPBWQFNKF-KBUPBQIOSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000251333117 636759927 /nfs/dbraw/zinc/75/99/27/636759927.db2.gz IWXISXPBWQFNKF-LXTVHRRPSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000252697679 644882604 /nfs/dbraw/zinc/88/26/04/644882604.db2.gz ISORJEMXNGAITQ-GJZGRUSLSA-N 1 0 241.419 3.582 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000252697680 644882759 /nfs/dbraw/zinc/88/27/59/644882759.db2.gz ISORJEMXNGAITQ-LSDHHAIUSA-N 1 0 241.419 3.582 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000252712690 325691966 /nfs/dbraw/zinc/69/19/66/325691966.db2.gz NBXZZDWWCCPGBD-AVGNSLFASA-N 1 0 209.377 3.755 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000252712691 388773448 /nfs/dbraw/zinc/77/34/48/388773448.db2.gz NBXZZDWWCCPGBD-RWMBFGLXSA-N 1 0 209.377 3.755 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252715935 644889273 /nfs/dbraw/zinc/88/92/73/644889273.db2.gz XDIHCRAYGXBHEP-REWJHTLYSA-N 1 0 207.361 3.509 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252715936 644889630 /nfs/dbraw/zinc/88/96/30/644889630.db2.gz XDIHCRAYGXBHEP-RFQIPJPRSA-N 1 0 207.361 3.509 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252715937 644890310 /nfs/dbraw/zinc/89/03/10/644890310.db2.gz XDIHCRAYGXBHEP-XDQVBPFNSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000252728313 642894778 /nfs/dbraw/zinc/89/47/78/642894778.db2.gz AWWMZMFQHJJCCY-IHRRRGAJSA-N 1 0 217.356 3.733 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000252728314 642894956 /nfs/dbraw/zinc/89/49/56/642894956.db2.gz AWWMZMFQHJJCCY-MELADBBJSA-N 1 0 217.356 3.733 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000252729043 636033626 /nfs/dbraw/zinc/03/36/26/636033626.db2.gz DYBOBFUDELNQCZ-RBSFLKMASA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000252729044 636033478 /nfs/dbraw/zinc/03/34/78/636033478.db2.gz DYBOBFUDELNQCZ-RRFJBIMHSA-N 1 0 221.388 3.594 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CC[C@H](C)CC1)C1CC1 ZINC000252729121 388776635 /nfs/dbraw/zinc/77/66/35/388776635.db2.gz FEXOLHUEPVVGJD-BPLDGKMQSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](C)CC1)C1CC1 ZINC000252729122 388776298 /nfs/dbraw/zinc/77/62/98/388776298.db2.gz FEXOLHUEPVVGJD-QEJZJMRPSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000252730342 388776804 /nfs/dbraw/zinc/77/68/04/388776804.db2.gz KYIKVCSGAYDLES-IGQOVBAYSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000252730343 325693281 /nfs/dbraw/zinc/69/32/81/325693281.db2.gz KYIKVCSGAYDLES-XDQVBPFNSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000252730344 388776449 /nfs/dbraw/zinc/77/64/49/388776449.db2.gz KYIKVCSGAYDLES-XJFOESAGSA-N 1 0 209.377 3.755 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000252732045 642893889 /nfs/dbraw/zinc/89/38/89/642893889.db2.gz SULKSJVCQIRPBU-MVWJERBFSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000252732046 644893559 /nfs/dbraw/zinc/89/35/59/644893559.db2.gz SULKSJVCQIRPBU-YUSALJHKSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252733357 644892565 /nfs/dbraw/zinc/89/25/65/644892565.db2.gz YZSGKEWVPBJFGK-FRRDWIJNSA-N 1 0 227.779 3.687 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252733358 644893840 /nfs/dbraw/zinc/89/38/40/644893840.db2.gz YZSGKEWVPBJFGK-RWMBFGLXSA-N 1 0 227.779 3.687 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252733503 636033222 /nfs/dbraw/zinc/03/32/22/636033222.db2.gz ZSKCSRMFQPISNU-GBJTYRQASA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252733504 636033054 /nfs/dbraw/zinc/03/30/54/636033054.db2.gz ZSKCSRMFQPISNU-LJISPDSOSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252733505 644890785 /nfs/dbraw/zinc/89/07/85/644890785.db2.gz ZSKCSRMFQPISNU-ZQDZILKHSA-N 1 0 221.388 3.900 20 30 BHEDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000252743638 398302790 /nfs/dbraw/zinc/30/27/90/398302790.db2.gz QBQIGXTTZWPGPB-XNRPHZJLSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000252743640 398302748 /nfs/dbraw/zinc/30/27/48/398302748.db2.gz QBQIGXTTZWPGPB-XPKDYRNWSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@@H](C)C1 ZINC000252802631 135111094 /nfs/dbraw/zinc/11/10/94/135111094.db2.gz PJEVEOSXHHBWKP-KBPBESRZSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@@H](C)C1 ZINC000252802632 135111258 /nfs/dbraw/zinc/11/12/58/135111258.db2.gz PJEVEOSXHHBWKP-KGLIPLIRSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252803036 325696919 /nfs/dbraw/zinc/69/69/19/325696919.db2.gz AJAHVSNCTQUCPQ-RFQIPJPRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252803037 325697004 /nfs/dbraw/zinc/69/70/04/325697004.db2.gz AJAHVSNCTQUCPQ-RQJABVFESA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000252807550 388784132 /nfs/dbraw/zinc/78/41/32/388784132.db2.gz IVYQEUQAWDULLY-RFQIPJPRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000252807551 325697079 /nfs/dbraw/zinc/69/70/79/325697079.db2.gz IVYQEUQAWDULLY-YIYPIFLZSA-N 1 0 209.377 3.755 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC000252812418 643812663 /nfs/dbraw/zinc/81/26/63/643812663.db2.gz QCEXOTREXQCVQG-IJLUTSLNSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC000252812420 325697197 /nfs/dbraw/zinc/69/71/97/325697197.db2.gz QCEXOTREXQCVQG-UTUOFQBUSA-N 1 0 248.395 3.534 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252812825 388784171 /nfs/dbraw/zinc/78/41/71/388784171.db2.gz QPSIVVSFIONPJB-XDQVBPFNSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000252813651 388785376 /nfs/dbraw/zinc/78/53/76/388785376.db2.gz RUSHHZIGJORLHB-XDQVBPFNSA-N 1 0 209.377 3.755 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000252911672 643140458 /nfs/dbraw/zinc/14/04/58/643140458.db2.gz IDKBFBYUXDCIFL-KKUMJFAQSA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000252911673 643138944 /nfs/dbraw/zinc/13/89/44/643138944.db2.gz IDKBFBYUXDCIFL-ZNMIVQPWSA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252916939 643139703 /nfs/dbraw/zinc/13/97/03/643139703.db2.gz WLKYRTPCILCBSC-KKUMJFAQSA-N 1 0 241.419 3.629 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252916941 643140115 /nfs/dbraw/zinc/14/01/15/643140115.db2.gz WLKYRTPCILCBSC-RBSFLKMASA-N 1 0 241.419 3.629 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1C ZINC000253033520 135119455 /nfs/dbraw/zinc/11/94/55/135119455.db2.gz USCDIINTVDHXAL-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1C ZINC000253033521 135119268 /nfs/dbraw/zinc/11/92/68/135119268.db2.gz USCDIINTVDHXAL-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)C1 ZINC000253034659 135119258 /nfs/dbraw/zinc/11/92/58/135119258.db2.gz VSZXDRLFNYAHPO-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)C1 ZINC000253034660 135119531 /nfs/dbraw/zinc/11/95/31/135119531.db2.gz VSZXDRLFNYAHPO-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)C[C@@H](C)C1 ZINC000253035068 135119228 /nfs/dbraw/zinc/11/92/28/135119228.db2.gz WCQZCYRPZDGJKJ-WDNDVIMCSA-N 1 0 236.403 3.731 20 30 BHEDRO C(/C=C/c1ccccc1)=[NH+]n1cnc2ccccc21 ZINC000254387778 642715135 /nfs/dbraw/zinc/71/51/35/642715135.db2.gz XNPJGSGOAUDXHX-ODGAGTQYSA-N 1 0 247.301 3.584 20 30 BHEDRO C(/C=C\c1ccccc1)=[NH+]n1cnc2ccccc21 ZINC000254387779 642715627 /nfs/dbraw/zinc/71/56/27/642715627.db2.gz XNPJGSGOAUDXHX-WPFQCSIDSA-N 1 0 247.301 3.584 20 30 BHEDRO C=CCCC[N@@H+](C)C/C=C\c1ccccc1OC ZINC000255440267 384543367 /nfs/dbraw/zinc/54/33/67/384543367.db2.gz JKNVBOXHUJMVCT-LUAWRHEFSA-N 1 0 245.366 3.606 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C/C=C\c1ccccc1 ZINC000255527301 384759355 /nfs/dbraw/zinc/75/93/55/384759355.db2.gz TVXAHBBUASFPTO-POHAHGRESA-N 1 0 242.366 3.619 20 30 BHEDRO C=CC[C@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000255614257 322935750 /nfs/dbraw/zinc/93/57/50/322935750.db2.gz GPDWBTXDYTWGEK-FZDNWWAKSA-N 1 0 215.340 3.644 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000255614258 322935739 /nfs/dbraw/zinc/93/57/39/322935739.db2.gz GPDWBTXDYTWGEK-YBEMTRGBSA-N 1 0 215.340 3.644 20 30 BHEDRO CC(C)(C[NH2+]C1CCC(C#N)CC1)C1CCCC1 ZINC000258673455 344491408 /nfs/dbraw/zinc/49/14/08/344491408.db2.gz CJZYZYPOGKGEAK-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)C(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000258792044 344503262 /nfs/dbraw/zinc/50/32/62/344503262.db2.gz MNIWTUVMQCVFIW-UHFFFAOYSA-N 1 0 236.403 3.731 20 30 BHEDRO N#CC1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000258818840 344505765 /nfs/dbraw/zinc/50/57/65/344505765.db2.gz 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248.395 3.572 20 30 BHEDRO N#CCC1CC[NH+](CCC2CCCCC2)CC1 ZINC000260116942 349648378 /nfs/dbraw/zinc/64/83/78/349648378.db2.gz QRKHKVNDAYSHIR-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO Cc1cccc(C[NH+]2CCC(CCC#N)CC2)c1 ZINC000260172437 349648228 /nfs/dbraw/zinc/64/82/28/349648228.db2.gz TZTJMDGWWPGEHC-UHFFFAOYSA-N 1 0 242.366 3.511 20 30 BHEDRO Cc1ccccc1C[NH+]1CCC(CCC#N)CC1 ZINC000260277291 349677105 /nfs/dbraw/zinc/67/71/05/349677105.db2.gz YEQOIUBDLMVUPN-UHFFFAOYSA-N 1 0 242.366 3.511 20 30 BHEDRO N#CC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000260280463 343130904 /nfs/dbraw/zinc/13/09/04/343130904.db2.gz YIFWFPXXNAUJBW-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CC[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000260280470 344808227 /nfs/dbraw/zinc/80/82/27/344808227.db2.gz YIFWFPXXNAUJBW-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCCC#N)c1 ZINC000263761380 135127968 /nfs/dbraw/zinc/12/79/68/135127968.db2.gz BBABVTDHKQFCNN-MRXNPFEDSA-N 1 0 242.366 3.826 20 30 BHEDRO 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C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC(C)(C)C#N ZINC000265977114 135146045 /nfs/dbraw/zinc/14/60/45/135146045.db2.gz DOZICZMCTCFFQY-LBPRGKRZSA-N 1 0 248.345 3.758 20 30 BHEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000266009966 536314611 /nfs/dbraw/zinc/31/46/11/536314611.db2.gz NBUOHZLRLJIMOA-HNNXBMFYSA-N 1 0 242.366 3.546 20 30 BHEDRO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000266009967 536314642 /nfs/dbraw/zinc/31/46/42/536314642.db2.gz NBUOHZLRLJIMOA-OAHLLOKOSA-N 1 0 242.366 3.546 20 30 BHEDRO C=C(C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000266165167 135147798 /nfs/dbraw/zinc/14/77/98/135147798.db2.gz AHSUYZHLUBEOPF-UHFFFAOYSA-N 1 0 242.366 3.619 20 30 BHEDRO CC(C)(C#N)CCC[NH2+]C1(c2ccccc2)CC1 ZINC000266882178 534984233 /nfs/dbraw/zinc/98/42/33/534984233.db2.gz AVSNENBCKSYQHL-UHFFFAOYSA-N 1 0 242.366 3.595 20 30 BHEDRO CC(C)(C#N)CCC[NH2+]C(C)(C)c1ccccc1 ZINC000266897639 534985046 /nfs/dbraw/zinc/98/50/46/534985046.db2.gz GZGLHALPJDZCMH-UHFFFAOYSA-N 1 0 244.382 3.841 20 30 BHEDRO CC(C)[N@H+](CCCC(C)(C)C#N)Cc1ccco1 ZINC000266926126 535052794 /nfs/dbraw/zinc/05/27/94/535052794.db2.gz QZOOPENFGCBTFM-UHFFFAOYSA-N 1 0 248.370 3.820 20 30 BHEDRO N#CCCCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267341440 135153725 /nfs/dbraw/zinc/15/37/25/135153725.db2.gz LOBQVCCMWCXUNK-AWEZNQCLSA-N 1 0 248.757 3.781 20 30 BHEDRO N#CCCCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267341441 135153167 /nfs/dbraw/zinc/15/31/67/135153167.db2.gz LOBQVCCMWCXUNK-CQSZACIVSA-N 1 0 248.757 3.781 20 30 BHEDRO N#CCCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000267646597 135156190 /nfs/dbraw/zinc/15/61/90/135156190.db2.gz KEZPIWQULSQJLQ-HNNXBMFYSA-N 1 0 246.329 3.656 20 30 BHEDRO N#CCCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000267646599 135155790 /nfs/dbraw/zinc/15/57/90/135155790.db2.gz KEZPIWQULSQJLQ-OAHLLOKOSA-N 1 0 246.329 3.656 20 30 BHEDRO CC(C)(C)[N@H+](CCCC#N)Cc1ccccc1 ZINC000268470589 135159280 /nfs/dbraw/zinc/15/92/80/135159280.db2.gz HWSMJUGFHSKTBA-UHFFFAOYSA-N 1 0 230.355 3.591 20 30 BHEDRO C[N@H+](Cc1cccs1)CC(C)(C)CCC#N ZINC000270983232 351392253 /nfs/dbraw/zinc/39/22/53/351392253.db2.gz FAMYUIPVDLOELK-UHFFFAOYSA-N 1 0 236.384 3.510 20 30 BHEDRO CC(C)[N@H+](Cc1ccco1)CC(C)(C)CCC#N ZINC000271026423 351395255 /nfs/dbraw/zinc/39/52/55/351395255.db2.gz APXDFFYMVDHQCH-UHFFFAOYSA-N 1 0 248.370 3.820 20 30 BHEDRO Cc1cccc(C[N@@H+](C)CC(C)(C)CCC#N)c1 ZINC000271059665 351398659 /nfs/dbraw/zinc/39/86/59/351398659.db2.gz WCYHLSDSJRYXKF-UHFFFAOYSA-N 1 0 244.382 3.757 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000271181666 166233161 /nfs/dbraw/zinc/23/31/61/166233161.db2.gz HSXAQJKKKHHOTC-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271493872 166301903 /nfs/dbraw/zinc/30/19/03/166301903.db2.gz KVXLVPNRPITNDN-KBPBESRZSA-N 1 0 247.386 3.512 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271493875 166294420 /nfs/dbraw/zinc/29/44/20/166294420.db2.gz KVXLVPNRPITNDN-KGLIPLIRSA-N 1 0 247.386 3.512 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271493877 166302304 /nfs/dbraw/zinc/30/23/04/166302304.db2.gz KVXLVPNRPITNDN-UONOGXRCSA-N 1 0 247.386 3.512 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271493879 166295723 /nfs/dbraw/zinc/29/57/23/166295723.db2.gz KVXLVPNRPITNDN-ZIAGYGMSSA-N 1 0 247.386 3.512 20 30 BHEDRO C[C@@H]1CCC[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000271515202 136282424 /nfs/dbraw/zinc/28/24/24/136282424.db2.gz OLDCQUSTAXRXHC-FVQBIDKESA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]1CCC[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000271515204 136282422 /nfs/dbraw/zinc/28/24/22/136282422.db2.gz OLDCQUSTAXRXHC-VNQPRFMTSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000271525718 136282462 /nfs/dbraw/zinc/28/24/62/136282462.db2.gz QDDOOLVVTVZLRL-CVEARBPZSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000271525721 535931290 /nfs/dbraw/zinc/93/12/90/535931290.db2.gz QDDOOLVVTVZLRL-HOTGVXAUSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)C1CC1 ZINC000271525724 535808909 /nfs/dbraw/zinc/80/89/09/535808909.db2.gz QDDOOLVVTVZLRL-HZPDHXFCSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)C1CC1 ZINC000271525729 136282457 /nfs/dbraw/zinc/28/24/57/136282457.db2.gz QDDOOLVVTVZLRL-JKSUJKDBSA-N 1 0 242.366 3.810 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000271566304 166205964 /nfs/dbraw/zinc/20/59/64/166205964.db2.gz VDFUGRWFKYRREZ-DZGCQCFKSA-N 1 0 239.318 3.695 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000271567466 387445065 /nfs/dbraw/zinc/44/50/65/387445065.db2.gz VDFUGRWFKYRREZ-HIFRSBDPSA-N 1 0 239.318 3.695 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000271567469 166205403 /nfs/dbraw/zinc/20/54/03/166205403.db2.gz VDFUGRWFKYRREZ-UKRRQHHQSA-N 1 0 239.318 3.695 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000271567470 387445984 /nfs/dbraw/zinc/44/59/84/387445984.db2.gz VDFUGRWFKYRREZ-ZFWWWQNUSA-N 1 0 239.318 3.695 20 30 BHEDRO N#CCCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000271605694 136282419 /nfs/dbraw/zinc/28/24/19/136282419.db2.gz AFPVVMMBJXZMAJ-AWEZNQCLSA-N 1 0 248.395 3.873 20 30 BHEDRO N#CCCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000271605696 136282476 /nfs/dbraw/zinc/28/24/76/136282476.db2.gz AFPVVMMBJXZMAJ-CQSZACIVSA-N 1 0 248.395 3.873 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000271752613 166133215 /nfs/dbraw/zinc/13/32/15/166133215.db2.gz LACFPLDWCSGQHW-AWEZNQCLSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000271752615 166133407 /nfs/dbraw/zinc/13/34/07/166133407.db2.gz LACFPLDWCSGQHW-CQSZACIVSA-N 1 0 245.366 3.538 20 30 BHEDRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(C#N)c(F)c1 ZINC000271942599 175866656 /nfs/dbraw/zinc/86/66/56/175866656.db2.gz MJUOHEWNJCIUJC-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(C#N)c(F)c1 ZINC000271942601 176835636 /nfs/dbraw/zinc/83/56/36/176835636.db2.gz MJUOHEWNJCIUJC-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO CC(C)(C#N)CC[NH2+]C1(c2ccccc2)CCC1 ZINC000271953779 351446990 /nfs/dbraw/zinc/44/69/90/351446990.db2.gz BOSISYYMBPWBDJ-UHFFFAOYSA-N 1 0 242.366 3.595 20 30 BHEDRO C[C@@H]([NH2+]CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271958623 398083515 /nfs/dbraw/zinc/08/35/15/398083515.db2.gz SXNGXCUWVDMYIC-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H]([NH2+]CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271958625 385863308 /nfs/dbraw/zinc/86/33/08/385863308.db2.gz SXNGXCUWVDMYIC-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO CCC(CC)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271971380 168391436 /nfs/dbraw/zinc/39/14/36/168391436.db2.gz WRYHUQNNAQRKDC-JTQLQIEISA-N 1 0 234.318 3.537 20 30 BHEDRO CCC(CC)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271971386 168392283 /nfs/dbraw/zinc/39/22/83/168392283.db2.gz WRYHUQNNAQRKDC-SNVBAGLBSA-N 1 0 234.318 3.537 20 30 BHEDRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271974439 175860485 /nfs/dbraw/zinc/86/04/85/175860485.db2.gz XMXXWTPLYFHNBD-LLVKDONJSA-N 1 0 246.329 3.681 20 30 BHEDRO C[C@H]([NH2+]C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271974443 176829244 /nfs/dbraw/zinc/82/92/44/176829244.db2.gz XMXXWTPLYFHNBD-NSHDSACASA-N 1 0 246.329 3.681 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271982097 388417307 /nfs/dbraw/zinc/41/73/07/388417307.db2.gz XEBLFEKYAODMQL-JRPNMDOOSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271982100 176921895 /nfs/dbraw/zinc/92/18/95/176921895.db2.gz XEBLFEKYAODMQL-PGUXBMHVSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271982103 388417336 /nfs/dbraw/zinc/41/73/36/388417336.db2.gz XEBLFEKYAODMQL-ZETOZRRWSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271982106 176897395 /nfs/dbraw/zinc/89/73/95/176897395.db2.gz XEBLFEKYAODMQL-ZIBATOQPSA-N 1 0 246.329 3.537 20 30 BHEDRO CCC1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271982209 388417161 /nfs/dbraw/zinc/41/71/61/388417161.db2.gz XGNRKCXNBHXPEJ-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO CCC1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271982211 388416817 /nfs/dbraw/zinc/41/68/17/388416817.db2.gz XGNRKCXNBHXPEJ-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@@H](C[N@H+](C)CCC(C)(C)C#N)c1ccccc1 ZINC000271987964 385865302 /nfs/dbraw/zinc/86/53/02/385865302.db2.gz DEJLNZHKWVRZKU-AWEZNQCLSA-N 1 0 244.382 3.662 20 30 BHEDRO C[C@H](C[N@H+](C)CCC(C)(C)C#N)c1ccccc1 ZINC000271987965 385865954 /nfs/dbraw/zinc/86/59/54/385865954.db2.gz DEJLNZHKWVRZKU-CQSZACIVSA-N 1 0 244.382 3.662 20 30 BHEDRO Cc1cccc(C(C)(C)[NH2+]CCC(C)(C)C#N)c1 ZINC000271990342 351448699 /nfs/dbraw/zinc/44/86/99/351448699.db2.gz DPWJLKRPULPUSU-UHFFFAOYSA-N 1 0 244.382 3.760 20 30 BHEDRO CC(C)(C#N)CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000271998069 351448770 /nfs/dbraw/zinc/44/87/70/351448770.db2.gz GSFDEFHHAKNZSC-UHFFFAOYSA-N 1 0 248.345 3.590 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+]CCC(C)(C)C#N)c1C ZINC000272002340 351448662 /nfs/dbraw/zinc/44/86/62/351448662.db2.gz HYQHBUSPJLRMLK-AWEZNQCLSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+]CCC(C)(C)C#N)c1C ZINC000272002341 351448733 /nfs/dbraw/zinc/44/87/33/351448733.db2.gz HYQHBUSPJLRMLK-CQSZACIVSA-N 1 0 244.382 3.894 20 30 BHEDRO CC(C)(C#N)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000272012424 534988738 /nfs/dbraw/zinc/98/87/38/534988738.db2.gz KQWSZKSDXPGRLV-HNNXBMFYSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)(C#N)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000272012427 534988521 /nfs/dbraw/zinc/98/85/21/534988521.db2.gz KQWSZKSDXPGRLV-OAHLLOKOSA-N 1 0 242.366 3.667 20 30 BHEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000272012617 351450234 /nfs/dbraw/zinc/45/02/34/351450234.db2.gz KVXNZQQVPAQLLY-DZGCQCFKSA-N 1 0 242.366 3.619 20 30 BHEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000272012618 351450182 /nfs/dbraw/zinc/45/01/82/351450182.db2.gz KVXNZQQVPAQLLY-UKRRQHHQSA-N 1 0 242.366 3.619 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CCC(C)(C)C#N)ccc1F ZINC000272013811 351450177 /nfs/dbraw/zinc/45/01/77/351450177.db2.gz KZNRDKJTBZZLPA-GFCCVEGCSA-N 1 0 248.345 3.725 20 30 BHEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCC(C)(C)C#N)o1 ZINC000272022143 351449917 /nfs/dbraw/zinc/44/99/17/351449917.db2.gz NDIUHHFGTAAUCE-CYBMUJFWSA-N 1 0 246.354 3.665 20 30 BHEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCC(C)(C)C#N)o1 ZINC000272022145 351449966 /nfs/dbraw/zinc/44/99/66/351449966.db2.gz NDIUHHFGTAAUCE-ZDUSSCGKSA-N 1 0 246.354 3.665 20 30 BHEDRO C[C@@H]1c2ccccc2CC[N@H+]1CCC(C)(C)C#N ZINC000272051442 351450718 /nfs/dbraw/zinc/45/07/18/351450718.db2.gz ULTVXWCORNIBOL-CYBMUJFWSA-N 1 0 242.366 3.546 20 30 BHEDRO C[C@H]1c2ccccc2CC[N@H+]1CCC(C)(C)C#N ZINC000272051443 351451314 /nfs/dbraw/zinc/45/13/14/351451314.db2.gz ULTVXWCORNIBOL-ZDUSSCGKSA-N 1 0 242.366 3.546 20 30 BHEDRO C[C@H](c1cccc(F)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272477062 351478894 /nfs/dbraw/zinc/47/88/94/351478894.db2.gz ANWQFNPIEKHLLE-GFCCVEGCSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272477065 351479374 /nfs/dbraw/zinc/47/93/74/351479374.db2.gz ANWQFNPIEKHLLE-LBPRGKRZSA-N 1 0 246.329 3.512 20 30 BHEDRO Cc1ccccc1[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272501000 351481085 /nfs/dbraw/zinc/48/10/85/351481085.db2.gz DPKTYWVETNRDEH-AWEZNQCLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272501002 351481570 /nfs/dbraw/zinc/48/15/70/351481570.db2.gz DPKTYWVETNRDEH-CQSZACIVSA-N 1 0 242.366 3.682 20 30 BHEDRO C[C@H](c1ccccc1F)[NH+]1CCC(C)(C#N)CC1 ZINC000272613226 397980448 /nfs/dbraw/zinc/98/04/48/397980448.db2.gz SSIZFIILGKRIRL-GFCCVEGCSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1ccccc1F)[NH+]1CCC(C)(C#N)CC1 ZINC000272613227 397980371 /nfs/dbraw/zinc/98/03/71/397980371.db2.gz SSIZFIILGKRIRL-LBPRGKRZSA-N 1 0 246.329 3.512 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000272863941 166242278 /nfs/dbraw/zinc/24/22/78/166242278.db2.gz QZMLJSALWHRNGA-HNNXBMFYSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000272863942 166243254 /nfs/dbraw/zinc/24/32/54/166243254.db2.gz QZMLJSALWHRNGA-OAHLLOKOSA-N 1 0 232.371 3.725 20 30 BHEDRO N#CCCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000273161307 351510643 /nfs/dbraw/zinc/51/06/43/351510643.db2.gz KLAAREKFILCPBH-CVEARBPZSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000273161310 351510397 /nfs/dbraw/zinc/51/03/97/351510397.db2.gz KLAAREKFILCPBH-HOTGVXAUSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000273161312 351510684 /nfs/dbraw/zinc/51/06/84/351510684.db2.gz KLAAREKFILCPBH-HZPDHXFCSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000273161315 351510482 /nfs/dbraw/zinc/51/04/82/351510482.db2.gz KLAAREKFILCPBH-JKSUJKDBSA-N 1 0 242.366 3.606 20 30 BHEDRO CCc1ccc([C@H](CC)[NH2+]CCCC#N)cc1 ZINC000273163539 351512119 /nfs/dbraw/zinc/51/21/19/351512119.db2.gz AJNCIIFGTKTVEK-HNNXBMFYSA-N 1 0 230.355 3.593 20 30 BHEDRO CCc1ccc([C@@H](CC)[NH2+]CCCC#N)cc1 ZINC000273163542 351512342 /nfs/dbraw/zinc/51/23/42/351512342.db2.gz AJNCIIFGTKTVEK-OAHLLOKOSA-N 1 0 230.355 3.593 20 30 BHEDRO CCCc1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000273173979 351511668 /nfs/dbraw/zinc/51/16/68/351511668.db2.gz COEMLTXZAATHSQ-CYBMUJFWSA-N 1 0 230.355 3.593 20 30 BHEDRO CCCc1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000273173981 351512014 /nfs/dbraw/zinc/51/20/14/351512014.db2.gz COEMLTXZAATHSQ-ZDUSSCGKSA-N 1 0 230.355 3.593 20 30 BHEDRO CC(C)C[C@@H]([NH2+]CCCC#N)c1cccs1 ZINC000273176605 135365813 /nfs/dbraw/zinc/36/58/13/135365813.db2.gz DCXUUDYFTMDGHC-GFCCVEGCSA-N 1 0 236.384 3.729 20 30 BHEDRO CC(C)C[C@H]([NH2+]CCCC#N)c1cccs1 ZINC000273176606 135365662 /nfs/dbraw/zinc/36/56/62/135365662.db2.gz DCXUUDYFTMDGHC-LBPRGKRZSA-N 1 0 236.384 3.729 20 30 BHEDRO CC(C)[C@H](CCc1ccccc1)[NH2+]CCCC#N ZINC000273186250 491109171 /nfs/dbraw/zinc/10/91/71/491109171.db2.gz FZFIDKDGXLHHST-INIZCTEOSA-N 1 0 244.382 3.537 20 30 BHEDRO CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCC#N ZINC000273186251 491109116 /nfs/dbraw/zinc/10/91/16/491109116.db2.gz FZFIDKDGXLHHST-MRXNPFEDSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@@H]([NH2+]CCCC#N)c1ccc(Cl)s1 ZINC000273191498 535803577 /nfs/dbraw/zinc/80/35/77/535803577.db2.gz GXERXBIRFKFIPB-SECBINFHSA-N 1 0 242.775 3.746 20 30 BHEDRO CC[C@H]([NH2+]CCCC#N)c1ccc(Cl)s1 ZINC000273191501 535900192 /nfs/dbraw/zinc/90/01/92/535900192.db2.gz GXERXBIRFKFIPB-VIFPVBQESA-N 1 0 242.775 3.746 20 30 BHEDRO N#CCCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000273202232 136283870 /nfs/dbraw/zinc/28/38/70/136283870.db2.gz RNYKONFKVSMPMN-UHFFFAOYSA-N 1 0 242.366 3.606 20 30 BHEDRO CCCC[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000273257417 351514314 /nfs/dbraw/zinc/51/43/14/351514314.db2.gz MBFWUVZEJVPTGQ-HNNXBMFYSA-N 1 0 230.355 3.811 20 30 BHEDRO CCCC[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000273257419 133545091 /nfs/dbraw/zinc/54/50/91/133545091.db2.gz MBFWUVZEJVPTGQ-OAHLLOKOSA-N 1 0 230.355 3.811 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CCCC#N)c2ccccc21 ZINC000273277039 351515110 /nfs/dbraw/zinc/51/51/10/351515110.db2.gz PNRAZIGNXAIRFB-DOMZBBRYSA-N 1 0 228.339 3.518 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CCCC#N)c2ccccc21 ZINC000273277041 351515587 /nfs/dbraw/zinc/51/55/87/351515587.db2.gz PNRAZIGNXAIRFB-IUODEOHRSA-N 1 0 228.339 3.518 20 30 BHEDRO C[C@H]1CC[C@@H]([NH2+]CCCC#N)c2ccccc21 ZINC000273277043 351515551 /nfs/dbraw/zinc/51/55/51/351515551.db2.gz PNRAZIGNXAIRFB-SWLSCSKDSA-N 1 0 228.339 3.518 20 30 BHEDRO C[C@H]1CC[C@H]([NH2+]CCCC#N)c2ccccc21 ZINC000273277044 351515101 /nfs/dbraw/zinc/51/51/01/351515101.db2.gz PNRAZIGNXAIRFB-WFASDCNBSA-N 1 0 228.339 3.518 20 30 BHEDRO CCc1cc(NCCCC#N)c2ccccc2[nH+]1 ZINC000273278258 351515320 /nfs/dbraw/zinc/51/53/20/351515320.db2.gz CXWUFRNUJJAQQC-UHFFFAOYSA-N 1 0 239.322 3.513 20 30 BHEDRO Cc1cc(C)c([C@H](C)[NH2+]CCCC#N)cc1C ZINC000273279830 351515793 /nfs/dbraw/zinc/51/57/93/351515793.db2.gz QDAMBUQIMYCHHW-AWEZNQCLSA-N 1 0 230.355 3.566 20 30 BHEDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCC#N)cc1C ZINC000273279833 351515056 /nfs/dbraw/zinc/51/50/56/351515056.db2.gz QDAMBUQIMYCHHW-CQSZACIVSA-N 1 0 230.355 3.566 20 30 BHEDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCCC#N ZINC000273296062 133545018 /nfs/dbraw/zinc/54/50/18/133545018.db2.gz TYUNWDKSNRTCJK-AWEZNQCLSA-N 1 0 244.382 3.636 20 30 BHEDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCCC#N ZINC000273296066 351515221 /nfs/dbraw/zinc/51/52/21/351515221.db2.gz TYUNWDKSNRTCJK-CQSZACIVSA-N 1 0 244.382 3.636 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273351778 323633814 /nfs/dbraw/zinc/63/38/14/323633814.db2.gz BWOVKEWHSPSEIC-AAEUAGOBSA-N 1 0 233.355 3.624 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273351780 187399887 /nfs/dbraw/zinc/39/98/87/187399887.db2.gz BWOVKEWHSPSEIC-DGCLKSJQSA-N 1 0 233.355 3.624 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273351784 387456470 /nfs/dbraw/zinc/45/64/70/387456470.db2.gz BWOVKEWHSPSEIC-WCQYABFASA-N 1 0 233.355 3.624 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273351787 387456207 /nfs/dbraw/zinc/45/62/07/387456207.db2.gz BWOVKEWHSPSEIC-YPMHNXCESA-N 1 0 233.355 3.624 20 30 BHEDRO Cc1[nH+]c2ccccc2c(NCCCC#N)c1C ZINC000273358313 133545285 /nfs/dbraw/zinc/54/52/85/133545285.db2.gz QGSKVAMLXUBESA-UHFFFAOYSA-N 1 0 239.322 3.567 20 30 BHEDRO N#CCCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000273396659 351527308 /nfs/dbraw/zinc/52/73/08/351527308.db2.gz FMYZYBDPBUAXKF-AWEZNQCLSA-N 1 0 248.757 3.611 20 30 BHEDRO N#CCCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000273396663 351527042 /nfs/dbraw/zinc/52/70/42/351527042.db2.gz FMYZYBDPBUAXKF-CQSZACIVSA-N 1 0 248.757 3.611 20 30 BHEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000273455275 133545581 /nfs/dbraw/zinc/54/55/81/133545581.db2.gz YSLVOSGPJYMKKL-KBPBESRZSA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@H]([NH2+]CCC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000273455276 351530849 /nfs/dbraw/zinc/53/08/49/351530849.db2.gz YSLVOSGPJYMKKL-KGLIPLIRSA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000273455277 351530865 /nfs/dbraw/zinc/53/08/65/351530865.db2.gz YSLVOSGPJYMKKL-UONOGXRCSA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000273455278 351531008 /nfs/dbraw/zinc/53/10/08/351531008.db2.gz YSLVOSGPJYMKKL-ZIAGYGMSSA-N 1 0 244.382 3.708 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000273491813 351532963 /nfs/dbraw/zinc/53/29/63/351532963.db2.gz OKFSKNGANXTVTL-GDBMZVCRSA-N 1 0 242.366 3.976 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000273491814 351533255 /nfs/dbraw/zinc/53/32/55/351533255.db2.gz OKFSKNGANXTVTL-GOEBONIOSA-N 1 0 242.366 3.976 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000273491816 351533200 /nfs/dbraw/zinc/53/32/00/351533200.db2.gz OKFSKNGANXTVTL-HOCLYGCPSA-N 1 0 242.366 3.976 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000273491817 351533275 /nfs/dbraw/zinc/53/32/75/351533275.db2.gz OKFSKNGANXTVTL-ZBFHGGJFSA-N 1 0 242.366 3.976 20 30 BHEDRO N#CCCCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000273829147 369414394 /nfs/dbraw/zinc/41/43/94/369414394.db2.gz HGPYOVIZXSSIEF-INIZCTEOSA-N 1 0 242.366 3.907 20 30 BHEDRO N#CCCCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000273829149 369415787 /nfs/dbraw/zinc/41/57/87/369415787.db2.gz HGPYOVIZXSSIEF-MRXNPFEDSA-N 1 0 242.366 3.907 20 30 BHEDRO N#CCCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000273845419 369420152 /nfs/dbraw/zinc/42/01/52/369420152.db2.gz KFVHRCDISKOGDW-HNNXBMFYSA-N 1 0 228.339 3.517 20 30 BHEDRO N#CCCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000273845426 369420193 /nfs/dbraw/zinc/42/01/93/369420193.db2.gz KFVHRCDISKOGDW-OAHLLOKOSA-N 1 0 228.339 3.517 20 30 BHEDRO C=C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000274134146 188091373 /nfs/dbraw/zinc/09/13/73/188091373.db2.gz IXYZPCKUMDTJKG-UHFFFAOYSA-N 1 0 237.293 3.776 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000274199162 535934831 /nfs/dbraw/zinc/93/48/31/535934831.db2.gz KFZKEBXBLUVDMH-BMFZPTHFSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000274199164 351564809 /nfs/dbraw/zinc/56/48/09/351564809.db2.gz KFZKEBXBLUVDMH-BPUTZDHNSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000274199165 351564850 /nfs/dbraw/zinc/56/48/50/351564850.db2.gz KFZKEBXBLUVDMH-IMJJTQAJSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000274199167 351564742 /nfs/dbraw/zinc/56/47/42/351564742.db2.gz KFZKEBXBLUVDMH-KBMXLJTQSA-N 1 0 242.366 3.810 20 30 BHEDRO Cc1cccc2c(NCCCC#N)c(C)c[nH+]c12 ZINC000274219531 136284869 /nfs/dbraw/zinc/28/48/69/136284869.db2.gz YKFVUWFWCGIUFO-UHFFFAOYSA-N 1 0 239.322 3.567 20 30 BHEDRO CC/C=C/CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000274337484 384791155 /nfs/dbraw/zinc/79/11/55/384791155.db2.gz NLWJCHZRQMEPNV-IHVVCDCBSA-N 1 0 228.339 3.565 20 30 BHEDRO CC/C=C/CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000274337485 388731026 /nfs/dbraw/zinc/73/10/26/388731026.db2.gz NLWJCHZRQMEPNV-MUBLQREKSA-N 1 0 228.339 3.565 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000274391389 351568310 /nfs/dbraw/zinc/56/83/10/351568310.db2.gz VTGZXYVHYCFYNN-BZUAXINKSA-N 1 0 242.366 3.605 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000274391390 351568280 /nfs/dbraw/zinc/56/82/80/351568280.db2.gz VTGZXYVHYCFYNN-OAGGEKHMSA-N 1 0 242.366 3.605 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000274392343 351568144 /nfs/dbraw/zinc/56/81/44/351568144.db2.gz VTGZXYVHYCFYNN-OWCLPIDISA-N 1 0 242.366 3.605 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000274392345 351568351 /nfs/dbraw/zinc/56/83/51/351568351.db2.gz VTGZXYVHYCFYNN-PMPSAXMXSA-N 1 0 242.366 3.605 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000274392644 351568299 /nfs/dbraw/zinc/56/82/99/351568299.db2.gz BJYBFQXBLPPUQZ-COPLHBTASA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000274392646 351568341 /nfs/dbraw/zinc/56/83/41/351568341.db2.gz BJYBFQXBLPPUQZ-MISXGVKJSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000274392648 351568359 /nfs/dbraw/zinc/56/83/59/351568359.db2.gz BJYBFQXBLPPUQZ-MJVIPROJSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000274392649 351568249 /nfs/dbraw/zinc/56/82/49/351568249.db2.gz BJYBFQXBLPPUQZ-WDMOLILDSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000274393926 351568385 /nfs/dbraw/zinc/56/83/85/351568385.db2.gz BXPFCRJRTNJABF-QJPTWQEYSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000274393928 351568181 /nfs/dbraw/zinc/56/81/81/351568181.db2.gz BXPFCRJRTNJABF-SDDRHHMPSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000274394878 351568533 /nfs/dbraw/zinc/56/85/33/351568533.db2.gz BXPFCRJRTNJABF-SRVKXCTJSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000274394880 351568348 /nfs/dbraw/zinc/56/83/48/351568348.db2.gz BXPFCRJRTNJABF-TUAOUCFPSA-N 1 0 248.757 3.683 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000274403066 387478714 /nfs/dbraw/zinc/47/87/14/387478714.db2.gz BJYXBJQUPJLIFL-CYBMUJFWSA-N 1 0 245.366 3.724 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000274403068 387478490 /nfs/dbraw/zinc/47/84/90/387478490.db2.gz BJYXBJQUPJLIFL-ZDUSSCGKSA-N 1 0 245.366 3.724 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000274415627 387475801 /nfs/dbraw/zinc/47/58/01/387475801.db2.gz FQUDFVRMQFSOMQ-CYBMUJFWSA-N 1 0 228.339 3.565 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000274415629 389046579 /nfs/dbraw/zinc/04/65/79/389046579.db2.gz FQUDFVRMQFSOMQ-ZDUSSCGKSA-N 1 0 228.339 3.565 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000274421884 389046508 /nfs/dbraw/zinc/04/65/08/389046508.db2.gz HNDNXJJEDUJUOS-JTQLQIEISA-N 1 0 238.400 3.767 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000274421888 389046467 /nfs/dbraw/zinc/04/64/67/389046467.db2.gz HNDNXJJEDUJUOS-SNVBAGLBSA-N 1 0 238.400 3.767 20 30 BHEDRO C=C(Cl)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000274499929 389046603 /nfs/dbraw/zinc/04/66/03/389046603.db2.gz UXBLRDIUZYOUAP-VIFPVBQESA-N 1 0 244.791 3.670 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000274541487 192406105 /nfs/dbraw/zinc/40/61/05/192406105.db2.gz UJVNEGUWMWLHEZ-CYBMUJFWSA-N 1 0 228.339 3.565 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000274541488 188092978 /nfs/dbraw/zinc/09/29/78/188092978.db2.gz UJVNEGUWMWLHEZ-ZDUSSCGKSA-N 1 0 228.339 3.565 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000274547660 351571406 /nfs/dbraw/zinc/57/14/06/351571406.db2.gz VSBRGSYOUDXVEW-COPLHBTASA-N 1 0 248.757 3.683 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000274574399 386120188 /nfs/dbraw/zinc/12/01/88/386120188.db2.gz BHUGOTIGLGWJCK-DUVNUKRYSA-N 1 0 242.366 3.592 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)c1C ZINC000274594144 136285305 /nfs/dbraw/zinc/28/53/05/136285305.db2.gz GARRVQQRUQPECS-KKUMJFAQSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)c1C ZINC000274594147 136285292 /nfs/dbraw/zinc/28/52/92/136285292.db2.gz GARRVQQRUQPECS-RRFJBIMHSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1C ZINC000274595331 136285307 /nfs/dbraw/zinc/28/53/07/136285307.db2.gz GARRVQQRUQPECS-SOUVJXGZSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)c1C ZINC000274595333 136285254 /nfs/dbraw/zinc/28/52/54/136285254.db2.gz GARRVQQRUQPECS-ZNMIVQPWSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000274613501 133548305 /nfs/dbraw/zinc/54/83/05/133548305.db2.gz KSNUMAYDEFRHEJ-DZKIICNBSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000274613504 351574200 /nfs/dbraw/zinc/57/42/00/351574200.db2.gz KSNUMAYDEFRHEJ-LZWOXQAQSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000274613508 351574019 /nfs/dbraw/zinc/57/40/19/351574019.db2.gz KSNUMAYDEFRHEJ-OFQRWUPVSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000274613511 351573881 /nfs/dbraw/zinc/57/38/81/351573881.db2.gz KSNUMAYDEFRHEJ-SQWLQELKSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000274616051 133548354 /nfs/dbraw/zinc/54/83/54/133548354.db2.gz LEUGCIQZFYHLKX-SOUVJXGZSA-N 1 0 242.366 3.646 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cccnc1Cl ZINC000274625944 188265159 /nfs/dbraw/zinc/26/51/59/188265159.db2.gz YBBQGOIQRDBQOT-LLVKDONJSA-N 1 0 238.762 3.742 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000274625945 389047889 /nfs/dbraw/zinc/04/78/89/389047889.db2.gz YBBQGOIQRDBQOT-NSHDSACASA-N 1 0 238.762 3.742 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)c(C)s1 ZINC000274655068 351575864 /nfs/dbraw/zinc/57/58/64/351575864.db2.gz UFGCPSZLDUIPKK-CYZMBNFOSA-N 1 0 248.395 3.708 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)c(C)s1 ZINC000274655071 351575878 /nfs/dbraw/zinc/57/58/78/351575878.db2.gz UFGCPSZLDUIPKK-DRZSPHRISA-N 1 0 248.395 3.708 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)c(C)s1 ZINC000274655073 351575734 /nfs/dbraw/zinc/57/57/34/351575734.db2.gz UFGCPSZLDUIPKK-UHTWSYAYSA-N 1 0 248.395 3.708 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)s1 ZINC000274655075 351575689 /nfs/dbraw/zinc/57/56/89/351575689.db2.gz UFGCPSZLDUIPKK-WCFLWFBJSA-N 1 0 248.395 3.708 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1C ZINC000274656335 351575919 /nfs/dbraw/zinc/57/59/19/351575919.db2.gz UMAAUMOYRRDROD-OFQRWUPVSA-N 1 0 242.366 3.646 20 30 BHEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000274661923 351576856 /nfs/dbraw/zinc/57/68/56/351576856.db2.gz VQUGHLPMDUBNCV-BMFZPTHFSA-N 1 0 242.366 3.666 20 30 BHEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000274661925 535128062 /nfs/dbraw/zinc/12/80/62/535128062.db2.gz VQUGHLPMDUBNCV-BPUTZDHNSA-N 1 0 242.366 3.666 20 30 BHEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000274661927 351576782 /nfs/dbraw/zinc/57/67/82/351576782.db2.gz VQUGHLPMDUBNCV-IMJJTQAJSA-N 1 0 242.366 3.666 20 30 BHEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000274661929 535128170 /nfs/dbraw/zinc/12/81/70/535128170.db2.gz VQUGHLPMDUBNCV-KBMXLJTQSA-N 1 0 242.366 3.666 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000274726695 387491545 /nfs/dbraw/zinc/49/15/45/387491545.db2.gz ASQAENCZFSFDBY-UHFFFAOYSA-N 1 0 246.379 3.694 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000274765510 188092659 /nfs/dbraw/zinc/09/26/59/188092659.db2.gz FVDKFFCLPCZIFD-LLVKDONJSA-N 1 0 238.400 3.719 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000274765511 387491530 /nfs/dbraw/zinc/49/15/30/387491530.db2.gz FVDKFFCLPCZIFD-NSHDSACASA-N 1 0 238.400 3.719 20 30 BHEDRO C=C(C)CC[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000274791503 387492931 /nfs/dbraw/zinc/49/29/31/387492931.db2.gz BZKRSWSSIJGXOV-AWEZNQCLSA-N 1 0 249.354 3.529 20 30 BHEDRO C=C(C)CC[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000274791506 188264439 /nfs/dbraw/zinc/26/44/39/188264439.db2.gz BZKRSWSSIJGXOV-CQSZACIVSA-N 1 0 249.354 3.529 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274805999 188264826 /nfs/dbraw/zinc/26/48/26/188264826.db2.gz WRMBKQOEMKKZPC-LLVKDONJSA-N 1 0 238.762 3.742 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274806002 188446636 /nfs/dbraw/zinc/44/66/36/188446636.db2.gz WRMBKQOEMKKZPC-NSHDSACASA-N 1 0 238.762 3.742 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@H](C)c1cccs1 ZINC000274809781 386152722 /nfs/dbraw/zinc/15/27/22/386152722.db2.gz XSFLPHQLWQIWDT-LLVKDONJSA-N 1 0 209.358 3.707 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000274810782 387495652 /nfs/dbraw/zinc/49/56/52/387495652.db2.gz XSFLPHQLWQIWDT-NSHDSACASA-N 1 0 209.358 3.707 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000274817384 387495802 /nfs/dbraw/zinc/49/58/02/387495802.db2.gz JCPCVBZZCBBHNU-GFCCVEGCSA-N 1 0 249.402 3.563 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000274817388 387507446 /nfs/dbraw/zinc/50/74/46/387507446.db2.gz JCPCVBZZCBBHNU-LBPRGKRZSA-N 1 0 249.402 3.563 20 30 BHEDRO C=C(C)CC[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000274820563 389049443 /nfs/dbraw/zinc/04/94/43/389049443.db2.gz YAEFWEPKMLWZEH-CYBMUJFWSA-N 1 0 238.400 3.633 20 30 BHEDRO C=C(C)CC[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000274820564 188093712 /nfs/dbraw/zinc/09/37/12/188093712.db2.gz YAEFWEPKMLWZEH-ZDUSSCGKSA-N 1 0 238.400 3.633 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274840956 384040027 /nfs/dbraw/zinc/04/00/27/384040027.db2.gz OLTWFDYVMWEYRL-GFCCVEGCSA-N 1 0 248.326 3.520 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274840959 188093497 /nfs/dbraw/zinc/09/34/97/188093497.db2.gz OLTWFDYVMWEYRL-LBPRGKRZSA-N 1 0 248.326 3.520 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000275050448 188266045 /nfs/dbraw/zinc/26/60/45/188266045.db2.gz KTLPXKAAMWTEDN-CYBMUJFWSA-N 1 0 236.384 3.555 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000275050449 387500537 /nfs/dbraw/zinc/50/05/37/387500537.db2.gz KTLPXKAAMWTEDN-ZDUSSCGKSA-N 1 0 236.384 3.555 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275446467 351599531 /nfs/dbraw/zinc/59/95/31/351599531.db2.gz FYIKQBJHSFGULG-CVEARBPZSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000275446469 351599823 /nfs/dbraw/zinc/59/98/23/351599823.db2.gz FYIKQBJHSFGULG-HOTGVXAUSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275446470 351599644 /nfs/dbraw/zinc/59/96/44/351599644.db2.gz FYIKQBJHSFGULG-HZPDHXFCSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000275446472 351599777 /nfs/dbraw/zinc/59/97/77/351599777.db2.gz FYIKQBJHSFGULG-JKSUJKDBSA-N 1 0 242.366 3.606 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000276140298 351611376 /nfs/dbraw/zinc/61/13/76/351611376.db2.gz CXXITYDTHBIHDD-ARFHVFGLSA-N 1 0 242.366 3.605 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000276140304 351611080 /nfs/dbraw/zinc/61/10/80/351611080.db2.gz CXXITYDTHBIHDD-BZUAXINKSA-N 1 0 242.366 3.605 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000276140309 351610948 /nfs/dbraw/zinc/61/09/48/351610948.db2.gz CXXITYDTHBIHDD-OAGGEKHMSA-N 1 0 242.366 3.605 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000276140315 351611665 /nfs/dbraw/zinc/61/16/65/351611665.db2.gz CXXITYDTHBIHDD-XHSDSOJGSA-N 1 0 242.366 3.605 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc2nc(C)ccc2c1 ZINC000276202841 166258536 /nfs/dbraw/zinc/25/85/36/166258536.db2.gz YYBULQXVSYJDBS-UHFFFAOYSA-N 1 0 240.350 3.551 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCC#N)c1C ZINC000276256413 351612235 /nfs/dbraw/zinc/61/22/35/351612235.db2.gz AILTWGPGKTZOCL-GXTWGEPZSA-N 1 0 230.355 3.646 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)CCC#N)c1C ZINC000276256414 351613666 /nfs/dbraw/zinc/61/36/66/351613666.db2.gz AILTWGPGKTZOCL-JSGCOSHPSA-N 1 0 230.355 3.646 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@H](C)CCC#N)c1C ZINC000276256415 351614005 /nfs/dbraw/zinc/61/40/05/351614005.db2.gz AILTWGPGKTZOCL-OCCSQVGLSA-N 1 0 230.355 3.646 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)CCC#N)c1C ZINC000276256416 351613359 /nfs/dbraw/zinc/61/33/59/351613359.db2.gz AILTWGPGKTZOCL-TZMCWYRMSA-N 1 0 230.355 3.646 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000276310026 133549727 /nfs/dbraw/zinc/54/97/27/133549727.db2.gz LZWAENOJAKCHGF-KBPBESRZSA-N 1 0 244.382 3.635 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000276310030 351615514 /nfs/dbraw/zinc/61/55/14/351615514.db2.gz LZWAENOJAKCHGF-KGLIPLIRSA-N 1 0 244.382 3.635 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)C(C)(C)c1ccccc1 ZINC000276310033 351615993 /nfs/dbraw/zinc/61/59/93/351615993.db2.gz LZWAENOJAKCHGF-UONOGXRCSA-N 1 0 244.382 3.635 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000276310038 351615615 /nfs/dbraw/zinc/61/56/15/351615615.db2.gz LZWAENOJAKCHGF-ZIAGYGMSSA-N 1 0 244.382 3.635 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccccc1Cl ZINC000276322502 135367333 /nfs/dbraw/zinc/36/73/33/135367333.db2.gz OZKPZOKSLCZNMK-GHMZBOCLSA-N 1 0 236.746 3.683 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccccc1Cl ZINC000276322503 135366903 /nfs/dbraw/zinc/36/69/03/135366903.db2.gz OZKPZOKSLCZNMK-MNOVXSKESA-N 1 0 236.746 3.683 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccccc1Cl ZINC000276322504 135367552 /nfs/dbraw/zinc/36/75/52/135367552.db2.gz OZKPZOKSLCZNMK-QWRGUYRKSA-N 1 0 236.746 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccccc1Cl ZINC000276322505 135367391 /nfs/dbraw/zinc/36/73/91/135367391.db2.gz OZKPZOKSLCZNMK-WDEREUQCSA-N 1 0 236.746 3.683 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000276327348 135367285 /nfs/dbraw/zinc/36/72/85/135367285.db2.gz QESCGKDWGKCFIH-GHMZBOCLSA-N 1 0 236.746 3.683 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000276327353 135367096 /nfs/dbraw/zinc/36/70/96/135367096.db2.gz QESCGKDWGKCFIH-MNOVXSKESA-N 1 0 236.746 3.683 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000276327357 343556545 /nfs/dbraw/zinc/55/65/45/343556545.db2.gz QESCGKDWGKCFIH-QWRGUYRKSA-N 1 0 236.746 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccc(Cl)cc1 ZINC000276327366 135366973 /nfs/dbraw/zinc/36/69/73/135366973.db2.gz QESCGKDWGKCFIH-WDEREUQCSA-N 1 0 236.746 3.683 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000276351358 386307654 /nfs/dbraw/zinc/30/76/54/386307654.db2.gz WNDBXZIEYGJGKM-NEPJUHHUSA-N 1 0 234.368 3.577 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000276351362 386306980 /nfs/dbraw/zinc/30/69/80/386306980.db2.gz WNDBXZIEYGJGKM-NWDGAFQWSA-N 1 0 234.368 3.577 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000276351366 386308593 /nfs/dbraw/zinc/30/85/93/386308593.db2.gz WNDBXZIEYGJGKM-RYUDHWBXSA-N 1 0 234.368 3.577 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000276351373 386307861 /nfs/dbraw/zinc/30/78/61/386307861.db2.gz WNDBXZIEYGJGKM-VXGBXAGGSA-N 1 0 234.368 3.577 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@@H](C)CCC#N)c1ccccc1 ZINC000276357573 351618208 /nfs/dbraw/zinc/61/82/08/351618208.db2.gz XVJHMNOKUPHJBO-DZGCQCFKSA-N 1 0 230.355 3.666 20 30 BHEDRO CC(C)[C@H]([NH2+][C@H](C)CCC#N)c1ccccc1 ZINC000276357577 351618107 /nfs/dbraw/zinc/61/81/07/351618107.db2.gz XVJHMNOKUPHJBO-HIFRSBDPSA-N 1 0 230.355 3.666 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@H](C)CCC#N)c1ccccc1 ZINC000276357580 351618480 /nfs/dbraw/zinc/61/84/80/351618480.db2.gz XVJHMNOKUPHJBO-UKRRQHHQSA-N 1 0 230.355 3.666 20 30 BHEDRO CC(C)[C@H]([NH2+][C@@H](C)CCC#N)c1ccccc1 ZINC000276357583 351618612 /nfs/dbraw/zinc/61/86/12/351618612.db2.gz XVJHMNOKUPHJBO-ZFWWWQNUSA-N 1 0 230.355 3.666 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](C)SC)c1ccco1 ZINC000276383783 166301343 /nfs/dbraw/zinc/30/13/43/166301343.db2.gz ABFOVYIAODQNTE-NEPJUHHUSA-N 1 0 239.384 3.628 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](C)SC)c1ccco1 ZINC000276383786 166295521 /nfs/dbraw/zinc/29/55/21/166295521.db2.gz ABFOVYIAODQNTE-NWDGAFQWSA-N 1 0 239.384 3.628 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](C)SC)c1ccco1 ZINC000276383788 166301636 /nfs/dbraw/zinc/30/16/36/166301636.db2.gz ABFOVYIAODQNTE-RYUDHWBXSA-N 1 0 239.384 3.628 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)SC)c1ccco1 ZINC000276383790 166295198 /nfs/dbraw/zinc/29/51/98/166295198.db2.gz ABFOVYIAODQNTE-VXGBXAGGSA-N 1 0 239.384 3.628 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000276406056 166259380 /nfs/dbraw/zinc/25/93/80/166259380.db2.gz LCNLQSRZEHDALJ-UHFFFAOYSA-N 1 0 225.282 3.632 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000276490998 166261909 /nfs/dbraw/zinc/26/19/09/166261909.db2.gz USFWQGABQMMDMZ-LLVKDONJSA-N 1 0 236.359 3.541 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000276491000 166258326 /nfs/dbraw/zinc/25/83/26/166258326.db2.gz USFWQGABQMMDMZ-NSHDSACASA-N 1 0 236.359 3.541 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000276499157 188093329 /nfs/dbraw/zinc/09/33/29/188093329.db2.gz JDCIQAIFOKXVNP-CYBMUJFWSA-N 1 0 249.402 3.779 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000276499162 188093450 /nfs/dbraw/zinc/09/34/50/188093450.db2.gz JDCIQAIFOKXVNP-ZDUSSCGKSA-N 1 0 249.402 3.779 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cc(C)nc2ccccc12 ZINC000276505141 166255615 /nfs/dbraw/zinc/25/56/15/166255615.db2.gz WTYJAVAOISEHOY-UHFFFAOYSA-N 1 0 240.350 3.551 20 30 BHEDRO CC(C)=CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000276599526 188265868 /nfs/dbraw/zinc/26/58/68/188265868.db2.gz JWMSJVHGAPMLAK-CYBMUJFWSA-N 1 0 228.339 3.565 20 30 BHEDRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000276599528 187238582 /nfs/dbraw/zinc/23/85/82/187238582.db2.gz JWMSJVHGAPMLAK-ZDUSSCGKSA-N 1 0 228.339 3.565 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000276632510 351639783 /nfs/dbraw/zinc/63/97/83/351639783.db2.gz WIRLIPZVOQIEBW-NEPJUHHUSA-N 1 0 242.322 3.776 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cc2ccccc2o1 ZINC000276632513 351639672 /nfs/dbraw/zinc/63/96/72/351639672.db2.gz WIRLIPZVOQIEBW-NWDGAFQWSA-N 1 0 242.322 3.776 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000276632516 351639378 /nfs/dbraw/zinc/63/93/78/351639378.db2.gz WIRLIPZVOQIEBW-RYUDHWBXSA-N 1 0 242.322 3.776 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000276632518 351639402 /nfs/dbraw/zinc/63/94/02/351639402.db2.gz WIRLIPZVOQIEBW-VXGBXAGGSA-N 1 0 242.322 3.776 20 30 BHEDRO CC(C)=CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000276647649 398314271 /nfs/dbraw/zinc/31/42/71/398314271.db2.gz UGSUORVRKINVNG-CYBMUJFWSA-N 1 0 228.339 3.565 20 30 BHEDRO CC(C)=CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000276647651 384495828 /nfs/dbraw/zinc/49/58/28/384495828.db2.gz UGSUORVRKINVNG-ZDUSSCGKSA-N 1 0 228.339 3.565 20 30 BHEDRO CC(C)=CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000276721405 388741238 /nfs/dbraw/zinc/74/12/38/388741238.db2.gz DFHPYMMLQOPTOB-GFCCVEGCSA-N 1 0 246.329 3.704 20 30 BHEDRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000276721408 388741541 /nfs/dbraw/zinc/74/15/41/388741541.db2.gz DFHPYMMLQOPTOB-LBPRGKRZSA-N 1 0 246.329 3.704 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2ncc(C)o2)CCCC1(C)C ZINC000277643556 187239849 /nfs/dbraw/zinc/23/98/49/187239849.db2.gz CGGZSLUVQKSVBU-CYBMUJFWSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2ncc(C)o2)CCCC1(C)C ZINC000277643560 387537345 /nfs/dbraw/zinc/53/73/45/387537345.db2.gz CGGZSLUVQKSVBU-ZDUSSCGKSA-N 1 0 248.370 3.550 20 30 BHEDRO C[C@H](c1ccco1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277653688 177047673 /nfs/dbraw/zinc/04/76/73/177047673.db2.gz IMBWVFJXOBXDHT-CYBMUJFWSA-N 1 0 248.370 3.992 20 30 BHEDRO C[C@@H](c1ccco1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277653689 176031473 /nfs/dbraw/zinc/03/14/73/176031473.db2.gz IMBWVFJXOBXDHT-ZDUSSCGKSA-N 1 0 248.370 3.992 20 30 BHEDRO CC[C@H]([NH2+]C1CCCC1)c1ccc(C#N)cc1 ZINC000278336614 388752877 /nfs/dbraw/zinc/75/28/77/388752877.db2.gz WYQIDBWVKZURKY-HNNXBMFYSA-N 1 0 228.339 3.542 20 30 BHEDRO CC[C@@H]([NH2+]C1CCCC1)c1ccc(C#N)cc1 ZINC000278336617 386511078 /nfs/dbraw/zinc/51/10/78/386511078.db2.gz WYQIDBWVKZURKY-OAHLLOKOSA-N 1 0 228.339 3.542 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC000278591574 386552262 /nfs/dbraw/zinc/55/22/62/386552262.db2.gz LCAKJWRDZFSTOB-AGIUHOORSA-N 1 0 246.379 3.577 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000278591576 386552646 /nfs/dbraw/zinc/55/26/46/386552646.db2.gz LCAKJWRDZFSTOB-FRRDWIJNSA-N 1 0 246.379 3.577 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000278591580 133552870 /nfs/dbraw/zinc/55/28/70/133552870.db2.gz LCAKJWRDZFSTOB-JHJVBQTASA-N 1 0 246.379 3.577 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC000278591582 386552419 /nfs/dbraw/zinc/55/24/19/386552419.db2.gz LCAKJWRDZFSTOB-UPJWGTAASA-N 1 0 246.379 3.577 20 30 BHEDRO CC[C@H]([NH2+]CC=C(C)C)c1ccc(C#N)cc1 ZINC000278611038 388754848 /nfs/dbraw/zinc/75/48/48/388754848.db2.gz FRAZYHDHEAUHCB-HNNXBMFYSA-N 1 0 228.339 3.565 20 30 BHEDRO CC[C@@H]([NH2+]CC=C(C)C)c1ccc(C#N)cc1 ZINC000278611040 388754245 /nfs/dbraw/zinc/75/42/45/388754245.db2.gz FRAZYHDHEAUHCB-OAHLLOKOSA-N 1 0 228.339 3.565 20 30 BHEDRO CC[N@H+](Cc1ccccc1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000278627938 351773766 /nfs/dbraw/zinc/77/37/66/351773766.db2.gz NYNANJDAPVSCOJ-GDBMZVCRSA-N 1 0 242.366 3.509 20 30 BHEDRO CC[N@H+](Cc1ccccc1C)[C@@H]1CC[C@H](C#N)C1 ZINC000278627941 351773556 /nfs/dbraw/zinc/77/35/56/351773556.db2.gz NYNANJDAPVSCOJ-GOEBONIOSA-N 1 0 242.366 3.509 20 30 BHEDRO CC[N@H+](Cc1ccccc1C)[C@H]1CC[C@H](C#N)C1 ZINC000278627944 351774049 /nfs/dbraw/zinc/77/40/49/351774049.db2.gz NYNANJDAPVSCOJ-HOCLYGCPSA-N 1 0 242.366 3.509 20 30 BHEDRO CC[N@H+](Cc1ccccc1C)[C@H]1CC[C@@H](C#N)C1 ZINC000278627947 351774055 /nfs/dbraw/zinc/77/40/55/351774055.db2.gz NYNANJDAPVSCOJ-ZBFHGGJFSA-N 1 0 242.366 3.509 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000278719824 388423014 /nfs/dbraw/zinc/42/30/14/388423014.db2.gz MDGGBQXJHXSEAU-CVEARBPZSA-N 1 0 240.350 3.708 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000278719828 388756504 /nfs/dbraw/zinc/75/65/04/388756504.db2.gz MDGGBQXJHXSEAU-HOTGVXAUSA-N 1 0 240.350 3.708 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000278719829 371240119 /nfs/dbraw/zinc/24/01/19/371240119.db2.gz MDGGBQXJHXSEAU-HZPDHXFCSA-N 1 0 240.350 3.708 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000278719833 371239602 /nfs/dbraw/zinc/23/96/02/371239602.db2.gz MDGGBQXJHXSEAU-JKSUJKDBSA-N 1 0 240.350 3.708 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278851967 188095960 /nfs/dbraw/zinc/09/59/60/188095960.db2.gz VQFIWNKNAGEZNC-DOMZBBRYSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000278851970 188096165 /nfs/dbraw/zinc/09/61/65/188096165.db2.gz VQFIWNKNAGEZNC-IUODEOHRSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000278851974 188095741 /nfs/dbraw/zinc/09/57/41/188095741.db2.gz VQFIWNKNAGEZNC-SWLSCSKDSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278851978 387557474 /nfs/dbraw/zinc/55/74/74/387557474.db2.gz VQFIWNKNAGEZNC-WFASDCNBSA-N 1 0 228.339 3.564 20 30 BHEDRO CC(C)[C@H]1C[C@H]([NH2+]CCCC#N)c2ccccc21 ZINC000278888325 351789205 /nfs/dbraw/zinc/78/92/05/351789205.db2.gz YKWKNKIMXNKOJJ-CVEARBPZSA-N 1 0 242.366 3.764 20 30 BHEDRO CC(C)[C@@H]1C[C@H]([NH2+]CCCC#N)c2ccccc21 ZINC000278888331 351789414 /nfs/dbraw/zinc/78/94/14/351789414.db2.gz YKWKNKIMXNKOJJ-HOTGVXAUSA-N 1 0 242.366 3.764 20 30 BHEDRO CC(C)[C@H]1C[C@@H]([NH2+]CCCC#N)c2ccccc21 ZINC000278888337 535249344 /nfs/dbraw/zinc/24/93/44/535249344.db2.gz YKWKNKIMXNKOJJ-HZPDHXFCSA-N 1 0 242.366 3.764 20 30 BHEDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCCC#N)c2ccccc21 ZINC000278888343 133553723 /nfs/dbraw/zinc/55/37/23/133553723.db2.gz YKWKNKIMXNKOJJ-JKSUJKDBSA-N 1 0 242.366 3.764 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000278959684 133554432 /nfs/dbraw/zinc/55/44/32/133554432.db2.gz NQXVSCQGGXRIDJ-BBRMVZONSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000278959687 351791708 /nfs/dbraw/zinc/79/17/08/351791708.db2.gz NQXVSCQGGXRIDJ-CJNGLKHVSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000278959689 133554140 /nfs/dbraw/zinc/55/41/40/133554140.db2.gz NQXVSCQGGXRIDJ-CZUORRHYSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000278959692 351791673 /nfs/dbraw/zinc/79/16/73/351791673.db2.gz NQXVSCQGGXRIDJ-XJKSGUPXSA-N 1 0 242.366 3.810 20 30 BHEDRO C=C(C)C[N@H+](CCCCC#N)Cc1ccccc1 ZINC000279265845 351805160 /nfs/dbraw/zinc/80/51/60/351805160.db2.gz IPZVDKQVXRNAKB-UHFFFAOYSA-N 1 0 242.366 3.759 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000279294071 166259763 /nfs/dbraw/zinc/25/97/63/166259763.db2.gz LKECCSYSKPASRM-UHFFFAOYSA-N 1 0 225.282 3.632 20 30 BHEDRO C=C1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279760260 135369104 /nfs/dbraw/zinc/36/91/04/135369104.db2.gz RJZUWDTZGMMAOR-UHFFFAOYSA-N 1 0 237.293 3.776 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000279905702 166244217 /nfs/dbraw/zinc/24/42/17/166244217.db2.gz HKJUUYBNDWHALR-CYBMUJFWSA-N 1 0 240.350 3.852 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000279905704 166241479 /nfs/dbraw/zinc/24/14/79/166241479.db2.gz HKJUUYBNDWHALR-ZDUSSCGKSA-N 1 0 240.350 3.852 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000280071519 386332642 /nfs/dbraw/zinc/33/26/42/386332642.db2.gz MECBFHZBIHQFKB-HNNXBMFYSA-N 1 0 228.339 3.565 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000280071522 351833022 /nfs/dbraw/zinc/83/30/22/351833022.db2.gz MECBFHZBIHQFKB-OAHLLOKOSA-N 1 0 228.339 3.565 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280086882 386332818 /nfs/dbraw/zinc/33/28/18/386332818.db2.gz MCCZLIPAPYGFPO-HNNXBMFYSA-N 1 0 245.366 3.545 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280086884 386333662 /nfs/dbraw/zinc/33/36/62/386333662.db2.gz MCCZLIPAPYGFPO-OAHLLOKOSA-N 1 0 245.366 3.545 20 30 BHEDRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(C#N)c(F)c1 ZINC000280124040 388779687 /nfs/dbraw/zinc/77/96/87/388779687.db2.gz OMTCUUPNDRTHSW-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(C#N)c(F)c1 ZINC000280124042 388779244 /nfs/dbraw/zinc/77/92/44/388779244.db2.gz OMTCUUPNDRTHSW-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000280130738 534735608 /nfs/dbraw/zinc/73/56/08/534735608.db2.gz QDOTWPKCXMPZAQ-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000280130740 386337059 /nfs/dbraw/zinc/33/70/59/386337059.db2.gz QDOTWPKCXMPZAQ-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000280163832 385266483 /nfs/dbraw/zinc/26/64/83/385266483.db2.gz SJXAGBIPNDUSAB-JTQLQIEISA-N 1 0 238.400 3.631 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1sc(CC)nc1C ZINC000280163837 346301606 /nfs/dbraw/zinc/30/16/06/346301606.db2.gz SJXAGBIPNDUSAB-SNVBAGLBSA-N 1 0 238.400 3.631 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000280178248 386329022 /nfs/dbraw/zinc/32/90/22/386329022.db2.gz UDGFKSCZWJCYNB-GFCCVEGCSA-N 1 0 249.402 3.563 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000280178249 386328029 /nfs/dbraw/zinc/32/80/29/386328029.db2.gz UDGFKSCZWJCYNB-LBPRGKRZSA-N 1 0 249.402 3.563 20 30 BHEDRO CSc1ccccc1C[N@H+](C)CCCCC#N ZINC000280511916 351848041 /nfs/dbraw/zinc/84/80/41/351848041.db2.gz RJVLNPHCFPSXHK-UHFFFAOYSA-N 1 0 248.395 3.534 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000280944644 534381064 /nfs/dbraw/zinc/38/10/64/534381064.db2.gz FYPJXQJRARORJM-DOMZBBRYSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000280944647 135370090 /nfs/dbraw/zinc/37/00/90/135370090.db2.gz FYPJXQJRARORJM-IUODEOHRSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000280944649 135370068 /nfs/dbraw/zinc/37/00/68/135370068.db2.gz FYPJXQJRARORJM-SWLSCSKDSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000280944653 534379665 /nfs/dbraw/zinc/37/96/65/534379665.db2.gz FYPJXQJRARORJM-WFASDCNBSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CCCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280973242 353432008 /nfs/dbraw/zinc/43/20/08/353432008.db2.gz VQRQUUMQZDNURU-INIZCTEOSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280975051 534693602 /nfs/dbraw/zinc/69/36/02/534693602.db2.gz VQRQUUMQZDNURU-MRXNPFEDSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc2cc[nH]c21 ZINC000281243808 534378857 /nfs/dbraw/zinc/37/88/57/534378857.db2.gz FPLSAJIEYSQUJP-AWEZNQCLSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc2cc[nH]c21 ZINC000281243812 135369777 /nfs/dbraw/zinc/36/97/77/135369777.db2.gz FPLSAJIEYSQUJP-CQSZACIVSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc2cccnc21 ZINC000281372521 534378636 /nfs/dbraw/zinc/37/86/36/534378636.db2.gz NVXYTXVERSFHSE-HNNXBMFYSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc2cccnc21 ZINC000281372522 135370030 /nfs/dbraw/zinc/37/00/30/135370030.db2.gz NVXYTXVERSFHSE-OAHLLOKOSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc2[nH]ccc21 ZINC000281386512 135369927 /nfs/dbraw/zinc/36/99/27/135369927.db2.gz OTHCLQZIWYILPN-CYBMUJFWSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc2[nH]ccc21 ZINC000281386516 135369976 /nfs/dbraw/zinc/36/99/76/135369976.db2.gz OTHCLQZIWYILPN-ZDUSSCGKSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000281386912 534379786 /nfs/dbraw/zinc/37/97/86/534379786.db2.gz ZFWBBXWUDUZMEO-DOMZBBRYSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000281386913 135369943 /nfs/dbraw/zinc/36/99/43/135369943.db2.gz ZFWBBXWUDUZMEO-IUODEOHRSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000281386917 135369838 /nfs/dbraw/zinc/36/98/38/135369838.db2.gz ZFWBBXWUDUZMEO-SWLSCSKDSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000281386918 534379988 /nfs/dbraw/zinc/37/99/88/534379988.db2.gz ZFWBBXWUDUZMEO-WFASDCNBSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccs1 ZINC000281446858 135369699 /nfs/dbraw/zinc/36/96/99/135369699.db2.gz DBIRJDMIHUKYCV-GHMZBOCLSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccs1 ZINC000281446864 534380604 /nfs/dbraw/zinc/38/06/04/534380604.db2.gz DBIRJDMIHUKYCV-MNOVXSKESA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccs1 ZINC000281446865 534380693 /nfs/dbraw/zinc/38/06/93/534380693.db2.gz DBIRJDMIHUKYCV-QWRGUYRKSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccs1 ZINC000281446871 135369664 /nfs/dbraw/zinc/36/96/64/135369664.db2.gz DBIRJDMIHUKYCV-WDEREUQCSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000281460795 346361226 /nfs/dbraw/zinc/36/12/26/346361226.db2.gz DUBLWKASCUBIDU-CMPLNLGQSA-N 1 0 238.400 3.765 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000281460801 346361277 /nfs/dbraw/zinc/36/12/77/346361277.db2.gz DUBLWKASCUBIDU-JQWIXIFHSA-N 1 0 238.400 3.765 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1sc(C)nc1C ZINC000281460805 346361197 /nfs/dbraw/zinc/36/11/97/346361197.db2.gz DUBLWKASCUBIDU-PWSUYJOCSA-N 1 0 238.400 3.765 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1sc(C)nc1C ZINC000281460809 346360976 /nfs/dbraw/zinc/36/09/76/346360976.db2.gz DUBLWKASCUBIDU-ZYHUDNBSSA-N 1 0 238.400 3.765 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccsc1 ZINC000281461019 346361233 /nfs/dbraw/zinc/36/12/33/346361233.db2.gz DUXOALNYEHRTDA-CMPLNLGQSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccsc1 ZINC000281461023 346361074 /nfs/dbraw/zinc/36/10/74/346361074.db2.gz DUXOALNYEHRTDA-JQWIXIFHSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccsc1 ZINC000281461031 398239400 /nfs/dbraw/zinc/23/94/00/398239400.db2.gz DUXOALNYEHRTDA-PWSUYJOCSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccsc1 ZINC000281461036 135510007 /nfs/dbraw/zinc/51/00/07/135510007.db2.gz DUXOALNYEHRTDA-ZYHUDNBSSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000281468483 398239237 /nfs/dbraw/zinc/23/92/37/398239237.db2.gz FDOXYZHVZQSUED-GXTWGEPZSA-N 1 0 249.402 3.778 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000281468486 398238860 /nfs/dbraw/zinc/23/88/60/398238860.db2.gz FDOXYZHVZQSUED-JSGCOSHPSA-N 1 0 249.402 3.778 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000281468489 534379574 /nfs/dbraw/zinc/37/95/74/534379574.db2.gz FDOXYZHVZQSUED-OCCSQVGLSA-N 1 0 249.402 3.778 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000281468492 398239279 /nfs/dbraw/zinc/23/92/79/398239279.db2.gz FDOXYZHVZQSUED-TZMCWYRMSA-N 1 0 249.402 3.778 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2ncccc2c1 ZINC000281487355 135370002 /nfs/dbraw/zinc/37/00/02/135370002.db2.gz VUAOFHQXINHEQY-HNNXBMFYSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2ncccc2c1 ZINC000281487357 135369630 /nfs/dbraw/zinc/36/96/30/135369630.db2.gz VUAOFHQXINHEQY-OAHLLOKOSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccccc1SC ZINC000281564444 346362415 /nfs/dbraw/zinc/36/24/15/346362415.db2.gz CDHXWXZJSQUTNF-NSHDSACASA-N 1 0 221.369 3.635 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000281571601 346362317 /nfs/dbraw/zinc/36/23/17/346362317.db2.gz KMLQKXQTUCUXJS-NEPJUHHUSA-N 1 0 207.317 3.593 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000281571605 346362650 /nfs/dbraw/zinc/36/26/50/346362650.db2.gz KMLQKXQTUCUXJS-NWDGAFQWSA-N 1 0 207.317 3.593 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000281571609 346362692 /nfs/dbraw/zinc/36/26/92/346362692.db2.gz KMLQKXQTUCUXJS-RYUDHWBXSA-N 1 0 207.317 3.593 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000281571615 346362296 /nfs/dbraw/zinc/36/22/96/346362296.db2.gz KMLQKXQTUCUXJS-VXGBXAGGSA-N 1 0 207.317 3.593 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccnc1Cl ZINC000281585608 135370638 /nfs/dbraw/zinc/37/06/38/135370638.db2.gz LINNLNWMGTVITB-GHMZBOCLSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccnc1Cl ZINC000281585610 534380117 /nfs/dbraw/zinc/38/01/17/534380117.db2.gz LINNLNWMGTVITB-MNOVXSKESA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccnc1Cl ZINC000281585612 534380842 /nfs/dbraw/zinc/38/08/42/534380842.db2.gz LINNLNWMGTVITB-QWRGUYRKSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccnc1Cl ZINC000281585615 135371022 /nfs/dbraw/zinc/37/10/22/135371022.db2.gz LINNLNWMGTVITB-WDEREUQCSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000281585813 135507942 /nfs/dbraw/zinc/50/79/42/135507942.db2.gz LLTIQFBPIZVMKM-BXUZGUMPSA-N 1 0 246.329 3.703 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000281585815 534380968 /nfs/dbraw/zinc/38/09/68/534380968.db2.gz LLTIQFBPIZVMKM-FZMZJTMJSA-N 1 0 246.329 3.703 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000281585818 534380508 /nfs/dbraw/zinc/38/05/08/534380508.db2.gz LLTIQFBPIZVMKM-RISCZKNCSA-N 1 0 246.329 3.703 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000281585820 353444330 /nfs/dbraw/zinc/44/43/30/353444330.db2.gz LLTIQFBPIZVMKM-SMDDNHRTSA-N 1 0 246.329 3.703 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000281599007 353444523 /nfs/dbraw/zinc/44/45/23/353444523.db2.gz MAUWLWVBKAVUND-BLLLJJGKSA-N 1 0 245.366 3.722 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000281599009 353444407 /nfs/dbraw/zinc/44/44/07/353444407.db2.gz MAUWLWVBKAVUND-LRDDRELGSA-N 1 0 245.366 3.722 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000281599010 353444441 /nfs/dbraw/zinc/44/44/41/353444441.db2.gz MAUWLWVBKAVUND-MLGOLLRUSA-N 1 0 245.366 3.722 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000281599011 353444436 /nfs/dbraw/zinc/44/44/36/353444436.db2.gz MAUWLWVBKAVUND-WBMJQRKESA-N 1 0 245.366 3.722 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000281607134 385440287 /nfs/dbraw/zinc/44/02/87/385440287.db2.gz MQSLZCAQNCUQCM-CMPLNLGQSA-N 1 0 237.318 3.537 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000281607136 385439356 /nfs/dbraw/zinc/43/93/56/385439356.db2.gz MQSLZCAQNCUQCM-JQWIXIFHSA-N 1 0 237.318 3.537 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000281607137 385439554 /nfs/dbraw/zinc/43/95/54/385439554.db2.gz MQSLZCAQNCUQCM-PWSUYJOCSA-N 1 0 237.318 3.537 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000281607139 385440528 /nfs/dbraw/zinc/44/05/28/385440528.db2.gz MQSLZCAQNCUQCM-ZYHUDNBSSA-N 1 0 237.318 3.537 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000281614402 385441246 /nfs/dbraw/zinc/44/12/46/385441246.db2.gz NFXAPXWCVNZWHS-CMPLNLGQSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000281614405 385441493 /nfs/dbraw/zinc/44/14/93/385441493.db2.gz NFXAPXWCVNZWHS-JQWIXIFHSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000281614409 323065064 /nfs/dbraw/zinc/06/50/64/323065064.db2.gz NFXAPXWCVNZWHS-PWSUYJOCSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000281614412 385442018 /nfs/dbraw/zinc/44/20/18/385442018.db2.gz NFXAPXWCVNZWHS-ZYHUDNBSSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCc1ccco1 ZINC000281618434 346363715 /nfs/dbraw/zinc/36/37/15/346363715.db2.gz NMUISEVXIMODFU-CHWSQXEVSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCc1ccco1 ZINC000281618436 259440434 /nfs/dbraw/zinc/44/04/34/259440434.db2.gz NMUISEVXIMODFU-OLZOCXBDSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000281618437 385441835 /nfs/dbraw/zinc/44/18/35/385441835.db2.gz NMUISEVXIMODFU-QWHCGFSZSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000281618438 398237785 /nfs/dbraw/zinc/23/77/85/398237785.db2.gz NMUISEVXIMODFU-STQMWFEESA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCCCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281747798 353450870 /nfs/dbraw/zinc/45/08/70/353450870.db2.gz VVHNRNDFMJMGDN-HNNXBMFYSA-N 1 0 248.345 3.618 20 30 BHEDRO C=CCCCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281747800 353450828 /nfs/dbraw/zinc/45/08/28/353450828.db2.gz VVHNRNDFMJMGDN-OAHLLOKOSA-N 1 0 248.345 3.618 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000281801399 135370509 /nfs/dbraw/zinc/37/05/09/135370509.db2.gz YIOBXEPIMKRUDU-CMPLNLGQSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000281801402 534380195 /nfs/dbraw/zinc/38/01/95/534380195.db2.gz YIOBXEPIMKRUDU-JQWIXIFHSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000281801405 534379768 /nfs/dbraw/zinc/37/97/68/534379768.db2.gz YIOBXEPIMKRUDU-PWSUYJOCSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000281801409 135371344 /nfs/dbraw/zinc/37/13/44/135371344.db2.gz YIOBXEPIMKRUDU-ZYHUDNBSSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccccc1SC ZINC000281910426 346370794 /nfs/dbraw/zinc/37/07/94/346370794.db2.gz CDHXWXZJSQUTNF-LLVKDONJSA-N 1 0 221.369 3.635 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccc(C#N)cc1 ZINC000282040162 388812292 /nfs/dbraw/zinc/81/22/92/388812292.db2.gz FXVCOAIAUKPQKD-DOMZBBRYSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccc(C#N)cc1 ZINC000282040167 388812523 /nfs/dbraw/zinc/81/25/23/388812523.db2.gz FXVCOAIAUKPQKD-IUODEOHRSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC12CCC2)c1ccc(C#N)cc1 ZINC000282040171 388812193 /nfs/dbraw/zinc/81/21/93/388812193.db2.gz FXVCOAIAUKPQKD-SWLSCSKDSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC12CCC2)c1ccc(C#N)cc1 ZINC000282040176 388811836 /nfs/dbraw/zinc/81/18/36/388811836.db2.gz FXVCOAIAUKPQKD-WFASDCNBSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccs1 ZINC000282231989 351927349 /nfs/dbraw/zinc/92/73/49/351927349.db2.gz INSWYYYSNWJMHI-HIFPTAJRSA-N 1 0 248.395 3.729 20 30 BHEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccs1 ZINC000282232000 133559619 /nfs/dbraw/zinc/55/96/19/133559619.db2.gz INSWYYYSNWJMHI-PNESKVBLSA-N 1 0 248.395 3.729 20 30 BHEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccsc1 ZINC000282473474 136286319 /nfs/dbraw/zinc/28/63/19/136286319.db2.gz WMVRPZXWGBRURB-HIFPTAJRSA-N 1 0 248.395 3.729 20 30 BHEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccsc1 ZINC000282473477 136286439 /nfs/dbraw/zinc/28/64/39/136286439.db2.gz WMVRPZXWGBRURB-PNESKVBLSA-N 1 0 248.395 3.729 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)o1 ZINC000282498898 136286347 /nfs/dbraw/zinc/28/63/47/136286347.db2.gz XYUMGDVFVDIKSS-HSBZDZAISA-N 1 0 246.354 3.569 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)o1 ZINC000282498899 136286325 /nfs/dbraw/zinc/28/63/25/136286325.db2.gz XYUMGDVFVDIKSS-IYXRBSQSSA-N 1 0 246.354 3.569 20 30 BHEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1 ZINC000282535176 133560060 /nfs/dbraw/zinc/56/00/60/133560060.db2.gz WSQJVDGSDIXLAC-NFOMZHRRSA-N 1 0 242.366 3.667 20 30 BHEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1 ZINC000282535178 351935383 /nfs/dbraw/zinc/93/53/83/351935383.db2.gz WSQJVDGSDIXLAC-WLYUNCDWSA-N 1 0 242.366 3.667 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283440054 353499715 /nfs/dbraw/zinc/49/97/15/353499715.db2.gz TVCCTPDDLCRFJC-PVAVHDDUSA-N 1 0 241.378 3.572 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283440058 533034167 /nfs/dbraw/zinc/03/41/67/533034167.db2.gz TVCCTPDDLCRFJC-XIRDDKMYSA-N 1 0 241.378 3.572 20 30 BHEDRO CC1=CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000284197472 168121693 /nfs/dbraw/zinc/12/16/93/168121693.db2.gz RYLLAJRXNVHFBN-BBRMVZONSA-N 1 0 240.350 3.708 20 30 BHEDRO CC1=CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000284197478 168121722 /nfs/dbraw/zinc/12/17/22/168121722.db2.gz RYLLAJRXNVHFBN-CJNGLKHVSA-N 1 0 240.350 3.708 20 30 BHEDRO CC1=CC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000284197484 168119966 /nfs/dbraw/zinc/11/99/66/168119966.db2.gz RYLLAJRXNVHFBN-CZUORRHYSA-N 1 0 240.350 3.708 20 30 BHEDRO CC1=CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000284197489 168118917 /nfs/dbraw/zinc/11/89/17/168118917.db2.gz RYLLAJRXNVHFBN-XJKSGUPXSA-N 1 0 240.350 3.708 20 30 BHEDRO CC1(C)CC[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000284479910 351997669 /nfs/dbraw/zinc/99/76/69/351997669.db2.gz USZFXXDOUVIHPR-CABCVRRESA-N 1 0 242.366 3.810 20 30 BHEDRO CC1(C)CC[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000284479914 351997982 /nfs/dbraw/zinc/99/79/82/351997982.db2.gz USZFXXDOUVIHPR-GJZGRUSLSA-N 1 0 242.366 3.810 20 30 BHEDRO CC1(C)CC[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000284479916 351998053 /nfs/dbraw/zinc/99/80/53/351998053.db2.gz USZFXXDOUVIHPR-HUUCEWRRSA-N 1 0 242.366 3.810 20 30 BHEDRO CC1(C)CC[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000284479919 351998264 /nfs/dbraw/zinc/99/82/64/351998264.db2.gz USZFXXDOUVIHPR-LSDHHAIUSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H](C)C1CC1)c1ccco1 ZINC000285559174 387271995 /nfs/dbraw/zinc/27/19/95/387271995.db2.gz HBVVBDIYJPQADB-AAEUAGOBSA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H](C)C1CC1)c1ccco1 ZINC000285559176 135566681 /nfs/dbraw/zinc/56/66/81/135566681.db2.gz HBVVBDIYJPQADB-DGCLKSJQSA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccco1 ZINC000285559179 387270660 /nfs/dbraw/zinc/27/06/60/387270660.db2.gz HBVVBDIYJPQADB-WCQYABFASA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H](C)C1CC1)c1ccco1 ZINC000285559180 387271187 /nfs/dbraw/zinc/27/11/87/387271187.db2.gz HBVVBDIYJPQADB-YPMHNXCESA-N 1 0 219.328 3.675 20 30 BHEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCCC#N)C1 ZINC000285633997 342791261 /nfs/dbraw/zinc/79/12/61/342791261.db2.gz KXYSFUTXRNDRNM-GDBMZVCRSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCCCC#N)C1 ZINC000285634000 342791171 /nfs/dbraw/zinc/79/11/71/342791171.db2.gz KXYSFUTXRNDRNM-GOEBONIOSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCCCC#N)C1 ZINC000285634002 342791097 /nfs/dbraw/zinc/79/10/97/342791097.db2.gz KXYSFUTXRNDRNM-HOCLYGCPSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCCCC#N)C1 ZINC000285634005 342791103 /nfs/dbraw/zinc/79/11/03/342791103.db2.gz KXYSFUTXRNDRNM-ZBFHGGJFSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000285713446 352056665 /nfs/dbraw/zinc/05/66/65/352056665.db2.gz WOXGSPIAYZBYKB-GDBMZVCRSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000285713449 352056218 /nfs/dbraw/zinc/05/62/18/352056218.db2.gz WOXGSPIAYZBYKB-GOEBONIOSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000285713453 352056405 /nfs/dbraw/zinc/05/64/05/352056405.db2.gz WOXGSPIAYZBYKB-HOCLYGCPSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000285713456 352056479 /nfs/dbraw/zinc/05/64/79/352056479.db2.gz WOXGSPIAYZBYKB-ZBFHGGJFSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[N@H+](CCCCF)[C@H](C)c1ccc(C#N)cc1 ZINC000285889876 384227369 /nfs/dbraw/zinc/22/73/69/384227369.db2.gz GDBLVGOMRNXFRH-CYBMUJFWSA-N 1 0 248.345 3.691 20 30 BHEDRO CC[N@H+](CCCCF)[C@@H](C)c1ccc(C#N)cc1 ZINC000285889881 384228295 /nfs/dbraw/zinc/22/82/95/384228295.db2.gz GDBLVGOMRNXFRH-ZDUSSCGKSA-N 1 0 248.345 3.691 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000285930294 353548840 /nfs/dbraw/zinc/54/88/40/353548840.db2.gz CVOXUOUSTCCJCE-GXTWGEPZSA-N 1 0 247.386 3.585 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000285930297 353548993 /nfs/dbraw/zinc/54/89/93/353548993.db2.gz CVOXUOUSTCCJCE-JSGCOSHPSA-N 1 0 247.386 3.585 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000285930300 353549462 /nfs/dbraw/zinc/54/94/62/353549462.db2.gz CVOXUOUSTCCJCE-OCCSQVGLSA-N 1 0 247.386 3.585 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000285930303 353548714 /nfs/dbraw/zinc/54/87/14/353548714.db2.gz CVOXUOUSTCCJCE-TZMCWYRMSA-N 1 0 247.386 3.585 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H](C)CSC)c1ccco1 ZINC000285947816 359336178 /nfs/dbraw/zinc/33/61/78/359336178.db2.gz GAGBKSVLPYYEEZ-NEPJUHHUSA-N 1 0 239.384 3.628 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H](C)CSC)c1ccco1 ZINC000285947817 359336226 /nfs/dbraw/zinc/33/62/26/359336226.db2.gz GAGBKSVLPYYEEZ-NWDGAFQWSA-N 1 0 239.384 3.628 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H](C)CSC)c1ccco1 ZINC000285947820 135568699 /nfs/dbraw/zinc/56/86/99/135568699.db2.gz GAGBKSVLPYYEEZ-RYUDHWBXSA-N 1 0 239.384 3.628 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H](C)CSC)c1ccco1 ZINC000285947823 359336003 /nfs/dbraw/zinc/33/60/03/359336003.db2.gz GAGBKSVLPYYEEZ-VXGBXAGGSA-N 1 0 239.384 3.628 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CCC=C)c1ccco1 ZINC000285959180 353549650 /nfs/dbraw/zinc/54/96/50/353549650.db2.gz FKLKBPGXOFSVKG-AWEZNQCLSA-N 1 0 231.339 3.680 20 30 BHEDRO C#CCCCC[NH2+][C@H](CCC=C)c1ccco1 ZINC000285959181 353549586 /nfs/dbraw/zinc/54/95/86/353549586.db2.gz FKLKBPGXOFSVKG-CQSZACIVSA-N 1 0 231.339 3.680 20 30 BHEDRO CC[C@H]([NH2+]CCCCC#N)c1cccc(C)c1 ZINC000285964711 352067326 /nfs/dbraw/zinc/06/73/26/352067326.db2.gz GUIRWUTZRYUUBM-HNNXBMFYSA-N 1 0 230.355 3.730 20 30 BHEDRO CC[C@@H]([NH2+]CCCCC#N)c1cccc(C)c1 ZINC000285964712 535803541 /nfs/dbraw/zinc/80/35/41/535803541.db2.gz GUIRWUTZRYUUBM-OAHLLOKOSA-N 1 0 230.355 3.730 20 30 BHEDRO CCC[N@H+](CCCCF)Cc1ccc(C#N)cc1 ZINC000286030287 169153847 /nfs/dbraw/zinc/15/38/47/169153847.db2.gz PVIWTYROGUMFFL-UHFFFAOYSA-N 1 0 248.345 3.520 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCSC)c1ccco1 ZINC000286128880 534796027 /nfs/dbraw/zinc/79/60/27/534796027.db2.gz OLKWAKKCKVNPLW-GFCCVEGCSA-N 1 0 239.384 3.630 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCSC)c1ccco1 ZINC000286128885 135372826 /nfs/dbraw/zinc/37/28/26/135372826.db2.gz OLKWAKKCKVNPLW-LBPRGKRZSA-N 1 0 239.384 3.630 20 30 BHEDRO CC(C)[N@H+](CCCCF)Cc1ccc(C#N)cc1 ZINC000286149140 397948568 /nfs/dbraw/zinc/94/85/68/397948568.db2.gz XHXVIZNBSUVHAR-UHFFFAOYSA-N 1 0 248.345 3.518 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCCC#N)c1ccco1 ZINC000286299340 352084519 /nfs/dbraw/zinc/08/45/19/352084519.db2.gz WOVLCJRFKATOLZ-CYBMUJFWSA-N 1 0 232.327 3.570 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCCC#N)c1ccco1 ZINC000286299342 352084278 /nfs/dbraw/zinc/08/42/78/352084278.db2.gz WOVLCJRFKATOLZ-ZDUSSCGKSA-N 1 0 232.327 3.570 20 30 BHEDRO CC(C)CC[C@H]([NH2+]CCCC#N)c1ccoc1 ZINC000286311812 352084106 /nfs/dbraw/zinc/08/41/06/352084106.db2.gz XNQTUDIXTNUMER-AWEZNQCLSA-N 1 0 234.343 3.650 20 30 BHEDRO CC(C)CC[C@@H]([NH2+]CCCC#N)c1ccoc1 ZINC000286311815 352084137 /nfs/dbraw/zinc/08/41/37/352084137.db2.gz XNQTUDIXTNUMER-CQSZACIVSA-N 1 0 234.343 3.650 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286383017 353560465 /nfs/dbraw/zinc/56/04/65/353560465.db2.gz GSTZRQMKKCPXJX-DUMNWFOQSA-N 1 0 237.293 3.532 20 30 BHEDRO C=CC[C@H](C)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286383020 353560399 /nfs/dbraw/zinc/56/03/99/353560399.db2.gz GSTZRQMKKCPXJX-MALLOTDXSA-N 1 0 237.293 3.532 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000286883679 384413386 /nfs/dbraw/zinc/41/33/86/384413386.db2.gz CNRDICRQVLDJCD-HZMBPMFUSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000286883682 384413861 /nfs/dbraw/zinc/41/38/61/384413861.db2.gz CNRDICRQVLDJCD-IINYFYTJSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000286883685 384415076 /nfs/dbraw/zinc/41/50/76/384415076.db2.gz CNRDICRQVLDJCD-QMTHXVAHSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000286883688 398256610 /nfs/dbraw/zinc/25/66/10/398256610.db2.gz CNRDICRQVLDJCD-YGRLFVJLSA-N 1 0 246.329 3.537 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cscn1 ZINC000286912859 534673506 /nfs/dbraw/zinc/67/35/06/534673506.db2.gz FCONSIKWORYGIT-GFCCVEGCSA-N 1 0 238.400 3.930 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1cscn1 ZINC000286912864 534672606 /nfs/dbraw/zinc/67/26/06/534672606.db2.gz FCONSIKWORYGIT-LBPRGKRZSA-N 1 0 238.400 3.930 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000286926870 534672101 /nfs/dbraw/zinc/67/21/01/534672101.db2.gz FXIIBEYMZYQCTJ-CYBMUJFWSA-N 1 0 249.402 3.516 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000286926873 534672274 /nfs/dbraw/zinc/67/22/74/534672274.db2.gz FXIIBEYMZYQCTJ-ZDUSSCGKSA-N 1 0 249.402 3.516 20 30 BHEDRO C=CCC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccco1 ZINC000286947405 353567579 /nfs/dbraw/zinc/56/75/79/353567579.db2.gz BKYKMALNARBOSO-LLVKDONJSA-N 1 0 241.281 3.674 20 30 BHEDRO C=CCC[C@H]([NH2+]C1CC(F)(F)C1)c1ccco1 ZINC000286947408 353567461 /nfs/dbraw/zinc/56/74/61/353567461.db2.gz BKYKMALNARBOSO-NSHDSACASA-N 1 0 241.281 3.674 20 30 BHEDRO CC1(C)C[N@H+](CCCCC#N)[C@@H]1c1cccs1 ZINC000286969493 352109462 /nfs/dbraw/zinc/10/94/62/352109462.db2.gz NWUZFSXRRFHHMF-CYBMUJFWSA-N 1 0 248.395 3.825 20 30 BHEDRO CC1(C)C[N@H+](CCCCC#N)[C@H]1c1cccs1 ZINC000286969499 352109577 /nfs/dbraw/zinc/10/95/77/352109577.db2.gz NWUZFSXRRFHHMF-ZDUSSCGKSA-N 1 0 248.395 3.825 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1nccs1 ZINC000287102563 359455263 /nfs/dbraw/zinc/45/52/63/359455263.db2.gz QDDWUMXULDACFS-GFCCVEGCSA-N 1 0 238.400 3.930 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1nccs1 ZINC000287102567 359455669 /nfs/dbraw/zinc/45/56/69/359455669.db2.gz QDDWUMXULDACFS-LBPRGKRZSA-N 1 0 238.400 3.930 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1nccnc1C ZINC000287208003 359486500 /nfs/dbraw/zinc/48/65/00/359486500.db2.gz WTCCJXMEDYIRIC-CYBMUJFWSA-N 1 0 247.386 3.572 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1nccnc1C ZINC000287208007 359486671 /nfs/dbraw/zinc/48/66/71/359486671.db2.gz WTCCJXMEDYIRIC-ZDUSSCGKSA-N 1 0 247.386 3.572 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cncs1 ZINC000287245720 359485998 /nfs/dbraw/zinc/48/59/98/359485998.db2.gz ZDKHFWMANDQZJO-GFCCVEGCSA-N 1 0 238.400 3.930 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1cncs1 ZINC000287245722 359485612 /nfs/dbraw/zinc/48/56/12/359485612.db2.gz ZDKHFWMANDQZJO-LBPRGKRZSA-N 1 0 238.400 3.930 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCCc1cccc(C)n1 ZINC000287284478 353574869 /nfs/dbraw/zinc/57/48/69/353574869.db2.gz CZILEPBZRFVXFB-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCCc1cccc(C)n1 ZINC000287284484 353575194 /nfs/dbraw/zinc/57/51/94/353575194.db2.gz CZILEPBZRFVXFB-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000287287470 534355387 /nfs/dbraw/zinc/35/53/87/534355387.db2.gz DCOYBHDMFYDDIW-DZGCQCFKSA-N 1 0 246.398 3.513 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000287287473 135585038 /nfs/dbraw/zinc/58/50/38/135585038.db2.gz DCOYBHDMFYDDIW-HIFRSBDPSA-N 1 0 246.398 3.513 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000287287477 353575132 /nfs/dbraw/zinc/57/51/32/353575132.db2.gz DCOYBHDMFYDDIW-UKRRQHHQSA-N 1 0 246.398 3.513 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000287287481 353574689 /nfs/dbraw/zinc/57/46/89/353574689.db2.gz DCOYBHDMFYDDIW-ZFWWWQNUSA-N 1 0 246.398 3.513 20 30 BHEDRO C=CCCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000287610270 353580477 /nfs/dbraw/zinc/58/04/77/353580477.db2.gz SKLLDNCTPDPCJJ-AWEZNQCLSA-N 1 0 247.386 3.587 20 30 BHEDRO C=CCCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000287610271 353580074 /nfs/dbraw/zinc/58/00/74/353580074.db2.gz SKLLDNCTPDPCJJ-CQSZACIVSA-N 1 0 247.386 3.587 20 30 BHEDRO C=CCCCCCCCC[NH2+]Cc1cocn1 ZINC000288363920 352147067 /nfs/dbraw/zinc/14/70/67/352147067.db2.gz DFRUTGLNQWFDGY-UHFFFAOYSA-N 1 0 236.359 3.681 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000289213009 352176085 /nfs/dbraw/zinc/17/60/85/352176085.db2.gz KOSABCXRRONUJN-DOMZBBRYSA-N 1 0 228.339 3.518 20 30 BHEDRO C[C@@H]1C[C@@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000289213013 133568622 /nfs/dbraw/zinc/56/86/22/133568622.db2.gz KOSABCXRRONUJN-IUODEOHRSA-N 1 0 228.339 3.518 20 30 BHEDRO C[C@H]1C[C@@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000289213016 352176330 /nfs/dbraw/zinc/17/63/30/352176330.db2.gz KOSABCXRRONUJN-SWLSCSKDSA-N 1 0 228.339 3.518 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]CCCCC#N)c2ccccc21 ZINC000289213019 352176053 /nfs/dbraw/zinc/17/60/53/352176053.db2.gz KOSABCXRRONUJN-WFASDCNBSA-N 1 0 228.339 3.518 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000290023017 353646720 /nfs/dbraw/zinc/64/67/20/353646720.db2.gz ANLQQPLHRWGRRH-CYBMUJFWSA-N 1 0 240.350 3.852 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000290023022 352207550 /nfs/dbraw/zinc/20/75/50/352207550.db2.gz ANLQQPLHRWGRRH-ZDUSSCGKSA-N 1 0 240.350 3.852 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000290670342 353666773 /nfs/dbraw/zinc/66/67/73/353666773.db2.gz LHCZEYTWZMJHFL-CHWSQXEVSA-N 1 0 240.350 3.850 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000290671734 353666944 /nfs/dbraw/zinc/66/69/44/353666944.db2.gz LHCZEYTWZMJHFL-OLZOCXBDSA-N 1 0 240.350 3.850 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000290671735 353666458 /nfs/dbraw/zinc/66/64/58/353666458.db2.gz LHCZEYTWZMJHFL-QWHCGFSZSA-N 1 0 240.350 3.850 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000290671736 353667741 /nfs/dbraw/zinc/66/77/41/353667741.db2.gz LHCZEYTWZMJHFL-STQMWFEESA-N 1 0 240.350 3.850 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cc(C)on1 ZINC000290758626 353669868 /nfs/dbraw/zinc/66/98/68/353669868.db2.gz RIWCHWKVJWXGAK-CYBMUJFWSA-N 1 0 236.359 3.770 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000290758628 353669433 /nfs/dbraw/zinc/66/94/33/353669433.db2.gz RIWCHWKVJWXGAK-ZDUSSCGKSA-N 1 0 236.359 3.770 20 30 BHEDRO Cc1ccoc1C[N@H+](C)CCCCC(C)(C)C#N ZINC000292056896 359313927 /nfs/dbraw/zinc/31/39/27/359313927.db2.gz BHCXZJWVHDEPQA-UHFFFAOYSA-N 1 0 248.370 3.740 20 30 BHEDRO CC(C)(C#N)CC[NH2+]C(C)(C)c1ccccc1F ZINC000292181460 352306309 /nfs/dbraw/zinc/30/63/09/352306309.db2.gz QNVULTKRYSESMZ-UHFFFAOYSA-N 1 0 248.345 3.590 20 30 BHEDRO CC(C)[N@H+](CCCC#N)[C@@H](C)c1ccccc1 ZINC000292387189 352318419 /nfs/dbraw/zinc/31/84/19/352318419.db2.gz ZOINFSNYCWESLF-AWEZNQCLSA-N 1 0 230.355 3.762 20 30 BHEDRO CC(C)[N@H+](CCCC#N)[C@H](C)c1ccccc1 ZINC000292387191 352318631 /nfs/dbraw/zinc/31/86/31/352318631.db2.gz ZOINFSNYCWESLF-CQSZACIVSA-N 1 0 230.355 3.762 20 30 BHEDRO C=CCCCN[C@H](c1ccccc1)C(F)F ZINC000292754241 356695939 /nfs/dbraw/zinc/69/59/39/356695939.db2.gz OAZAWKXVKYTICN-GFCCVEGCSA-N 1 0 225.282 3.549 20 30 BHEDRO C=CCCCN[C@@H](c1ccccc1)C(F)F ZINC000292754246 356696026 /nfs/dbraw/zinc/69/60/26/356696026.db2.gz OAZAWKXVKYTICN-LBPRGKRZSA-N 1 0 225.282 3.549 20 30 BHEDRO Cc1ccccc1C(C)(C)[NH2+]CCCCC#N ZINC000293001630 352335512 /nfs/dbraw/zinc/33/55/12/352335512.db2.gz NBOXQROJRREMIC-UHFFFAOYSA-N 1 0 230.355 3.514 20 30 BHEDRO N#CCCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293468153 135180088 /nfs/dbraw/zinc/18/00/88/135180088.db2.gz DSKCMFVOMRCWOR-UHFFFAOYSA-N 1 0 242.366 3.738 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000293489310 135180431 /nfs/dbraw/zinc/18/04/31/135180431.db2.gz MXOJACIHZAGJLO-BNOWGMLFSA-N 1 0 246.379 3.577 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000293489312 135179705 /nfs/dbraw/zinc/17/97/05/135179705.db2.gz MXOJACIHZAGJLO-KWCYVHTRSA-N 1 0 246.379 3.577 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000293489315 135180281 /nfs/dbraw/zinc/18/02/81/135180281.db2.gz MXOJACIHZAGJLO-MRVWCRGKSA-N 1 0 246.379 3.577 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000293489319 135180529 /nfs/dbraw/zinc/18/05/29/135180529.db2.gz MXOJACIHZAGJLO-XBFCOCLRSA-N 1 0 246.379 3.577 20 30 BHEDRO CC(C)C1([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000293597692 387540484 /nfs/dbraw/zinc/54/04/84/387540484.db2.gz DDOXFCMGWDHFAY-LLVKDONJSA-N 1 0 246.329 3.537 20 30 BHEDRO CC(C)C1([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000293597695 387540996 /nfs/dbraw/zinc/54/09/96/387540996.db2.gz DDOXFCMGWDHFAY-NSHDSACASA-N 1 0 246.329 3.537 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000293680236 353759729 /nfs/dbraw/zinc/75/97/29/353759729.db2.gz KHMCQAPDVNZZEC-CYBMUJFWSA-N 1 0 249.402 3.717 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000293680238 353760223 /nfs/dbraw/zinc/76/02/23/353760223.db2.gz KHMCQAPDVNZZEC-ZDUSSCGKSA-N 1 0 249.402 3.717 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000293719183 364775329 /nfs/dbraw/zinc/77/53/29/364775329.db2.gz NKGDDHMHKGMFSH-JTQLQIEISA-N 1 0 238.400 3.704 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1csc(C)n1 ZINC000293719187 364774947 /nfs/dbraw/zinc/77/49/47/364774947.db2.gz NKGDDHMHKGMFSH-SNVBAGLBSA-N 1 0 238.400 3.704 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cnccc1C ZINC000293722525 534555535 /nfs/dbraw/zinc/55/55/35/534555535.db2.gz NTWWZRQACRSGDV-CYBMUJFWSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cnccc1C ZINC000293722529 353755116 /nfs/dbraw/zinc/75/51/16/353755116.db2.gz NTWWZRQACRSGDV-ZDUSSCGKSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000293737954 353755771 /nfs/dbraw/zinc/75/57/71/353755771.db2.gz PAMSRQSYQGRWKX-CYBMUJFWSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000293737958 353755801 /nfs/dbraw/zinc/75/58/01/353755801.db2.gz PAMSRQSYQGRWKX-ZDUSSCGKSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CCC(C)(C)C[NH2+]CCCc1cnccc1C ZINC000293822113 353769264 /nfs/dbraw/zinc/76/92/64/353769264.db2.gz FXQUMIIZNFBBEZ-UHFFFAOYSA-N 1 0 246.398 3.515 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cncc(C)c1 ZINC000293834886 353769343 /nfs/dbraw/zinc/76/93/43/353769343.db2.gz XHIATZKPPUEEOC-CYBMUJFWSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000293834890 534553736 /nfs/dbraw/zinc/55/37/36/534553736.db2.gz XHIATZKPPUEEOC-ZDUSSCGKSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccco1 ZINC000293876226 364776184 /nfs/dbraw/zinc/77/61/84/364776184.db2.gz ZYXWWFCFFFHLHS-LLVKDONJSA-N 1 0 207.317 3.533 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccco1 ZINC000293876229 364776159 /nfs/dbraw/zinc/77/61/59/364776159.db2.gz ZYXWWFCFFFHLHS-NSHDSACASA-N 1 0 207.317 3.533 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000293970141 353765979 /nfs/dbraw/zinc/76/59/79/353765979.db2.gz ASPFZDPUWYEKSP-AWEZNQCLSA-N 1 0 249.402 3.516 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000293970146 353765586 /nfs/dbraw/zinc/76/55/86/353765586.db2.gz ASPFZDPUWYEKSP-CQSZACIVSA-N 1 0 249.402 3.516 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000294095282 135378432 /nfs/dbraw/zinc/37/84/32/135378432.db2.gz BLMUSMZXXQBNIC-GXSJLCMTSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000294095291 135377472 /nfs/dbraw/zinc/37/74/72/135377472.db2.gz BLMUSMZXXQBNIC-KOLCDFICSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000294095301 135378264 /nfs/dbraw/zinc/37/82/64/135378264.db2.gz BLMUSMZXXQBNIC-MWLCHTKSSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000294095312 135377505 /nfs/dbraw/zinc/37/75/05/135377505.db2.gz BLMUSMZXXQBNIC-ONGXEEELSA-N 1 0 209.358 3.672 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000294158116 534673594 /nfs/dbraw/zinc/67/35/94/534673594.db2.gz QOPFNABMISCCHD-KBPBESRZSA-N 1 0 247.386 3.615 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000294158120 534672091 /nfs/dbraw/zinc/67/20/91/534672091.db2.gz QOPFNABMISCCHD-KGLIPLIRSA-N 1 0 247.386 3.615 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000294158125 534672188 /nfs/dbraw/zinc/67/21/88/534672188.db2.gz QOPFNABMISCCHD-UONOGXRCSA-N 1 0 247.386 3.615 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000294158129 534673035 /nfs/dbraw/zinc/67/30/35/534673035.db2.gz QOPFNABMISCCHD-ZIAGYGMSSA-N 1 0 247.386 3.615 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000294208624 135377715 /nfs/dbraw/zinc/37/77/15/135377715.db2.gz MILXJFUCIHOLCC-GFCCVEGCSA-N 1 0 221.369 3.511 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000294208628 533033280 /nfs/dbraw/zinc/03/32/80/533033280.db2.gz MILXJFUCIHOLCC-LBPRGKRZSA-N 1 0 221.369 3.511 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1cccc(C2CC2)c1 ZINC000294290609 135185614 /nfs/dbraw/zinc/18/56/14/135185614.db2.gz MSVFHIHWVIOUNQ-GFCCVEGCSA-N 1 0 228.339 3.518 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1cccc(C2CC2)c1 ZINC000294290616 135185595 /nfs/dbraw/zinc/18/55/95/135185595.db2.gz MSVFHIHWVIOUNQ-LBPRGKRZSA-N 1 0 228.339 3.518 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccsc1 ZINC000294427527 135676402 /nfs/dbraw/zinc/67/64/02/135676402.db2.gz PBPARRZLDCJIII-CMPLNLGQSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000294427536 135378218 /nfs/dbraw/zinc/37/82/18/135378218.db2.gz PBPARRZLDCJIII-JQWIXIFHSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000294427546 135378088 /nfs/dbraw/zinc/37/80/88/135378088.db2.gz PBPARRZLDCJIII-PWSUYJOCSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccsc1 ZINC000294427555 135378254 /nfs/dbraw/zinc/37/82/54/135378254.db2.gz PBPARRZLDCJIII-ZYHUDNBSSA-N 1 0 209.358 3.753 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC)c1ccsc1 ZINC000294480107 135377470 /nfs/dbraw/zinc/37/74/70/135377470.db2.gz WYTVIZRAATUUJR-JTQLQIEISA-N 1 0 215.749 3.541 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC)c1ccsc1 ZINC000294480111 135378125 /nfs/dbraw/zinc/37/81/25/135378125.db2.gz WYTVIZRAATUUJR-SNVBAGLBSA-N 1 0 215.749 3.541 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1ccsc1 ZINC000294492079 135378402 /nfs/dbraw/zinc/37/84/02/135378402.db2.gz YMPSOURVJZCLDX-CYBMUJFWSA-N 1 0 221.369 3.592 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1ccsc1 ZINC000294492081 533034637 /nfs/dbraw/zinc/03/46/37/533034637.db2.gz YMPSOURVJZCLDX-ZDUSSCGKSA-N 1 0 221.369 3.592 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2conc2C)CCCC1(C)C ZINC000294608299 353785156 /nfs/dbraw/zinc/78/51/56/353785156.db2.gz IIQCGGRGZZAAQP-AWEZNQCLSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2conc2C)CCCC1(C)C ZINC000294608304 353785856 /nfs/dbraw/zinc/78/58/56/353785856.db2.gz IIQCGGRGZZAAQP-CQSZACIVSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294642501 385877285 /nfs/dbraw/zinc/87/72/85/385877285.db2.gz GIZFYOCDYCWAAE-OLZOCXBDSA-N 1 0 233.355 3.624 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294642517 188224550 /nfs/dbraw/zinc/22/45/50/188224550.db2.gz GIZFYOCDYCWAAE-QWHCGFSZSA-N 1 0 233.355 3.624 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294642536 386683664 /nfs/dbraw/zinc/68/36/64/386683664.db2.gz GIZFYOCDYCWAAE-STQMWFEESA-N 1 0 233.355 3.624 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C(C)C)nc1C ZINC000294645630 353783399 /nfs/dbraw/zinc/78/33/99/353783399.db2.gz QHUYVECGKDFZNA-UHFFFAOYSA-N 1 0 232.371 3.521 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000294666528 353783542 /nfs/dbraw/zinc/78/35/42/353783542.db2.gz AMVFBMKDKIIJLN-KBPBESRZSA-N 1 0 246.398 3.550 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000294666533 353783743 /nfs/dbraw/zinc/78/37/43/353783743.db2.gz AMVFBMKDKIIJLN-KGLIPLIRSA-N 1 0 246.398 3.550 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000294666539 353783656 /nfs/dbraw/zinc/78/36/56/353783656.db2.gz AMVFBMKDKIIJLN-UONOGXRCSA-N 1 0 246.398 3.550 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000294666544 353784282 /nfs/dbraw/zinc/78/42/82/353784282.db2.gz AMVFBMKDKIIJLN-ZIAGYGMSSA-N 1 0 246.398 3.550 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)c1ccccn1 ZINC000294917853 353797982 /nfs/dbraw/zinc/79/79/82/353797982.db2.gz YMWLPHCXOXWYFS-AWEZNQCLSA-N 1 0 246.398 3.694 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)c1ccccn1 ZINC000294917855 353798026 /nfs/dbraw/zinc/79/80/26/353798026.db2.gz YMWLPHCXOXWYFS-CQSZACIVSA-N 1 0 246.398 3.694 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000294961793 353794880 /nfs/dbraw/zinc/79/48/80/353794880.db2.gz WQSNUTUEKMIXKS-DZGCQCFKSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000294961795 353795157 /nfs/dbraw/zinc/79/51/57/353795157.db2.gz WQSNUTUEKMIXKS-HIFRSBDPSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000294961796 135188021 /nfs/dbraw/zinc/18/80/21/135188021.db2.gz WQSNUTUEKMIXKS-UKRRQHHQSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000294961798 353794987 /nfs/dbraw/zinc/79/49/87/353794987.db2.gz WQSNUTUEKMIXKS-ZFWWWQNUSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCc1ncccc1C ZINC000295072819 353800879 /nfs/dbraw/zinc/80/08/79/353800879.db2.gz RDUKJEQTIXPLML-DZGCQCFKSA-N 1 0 246.398 3.513 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCc1ncccc1C ZINC000295072822 353801030 /nfs/dbraw/zinc/80/10/30/353801030.db2.gz RDUKJEQTIXPLML-HIFRSBDPSA-N 1 0 246.398 3.513 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCc1ncccc1C ZINC000295072825 353800900 /nfs/dbraw/zinc/80/09/00/353800900.db2.gz RDUKJEQTIXPLML-UKRRQHHQSA-N 1 0 246.398 3.513 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCc1ncccc1C ZINC000295072828 353800894 /nfs/dbraw/zinc/80/08/94/353800894.db2.gz RDUKJEQTIXPLML-ZFWWWQNUSA-N 1 0 246.398 3.513 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000295097368 135188818 /nfs/dbraw/zinc/18/88/18/135188818.db2.gz SEXGXQALEHXOEH-FZMZJTMJSA-N 1 0 248.757 3.512 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000295119435 181045087 /nfs/dbraw/zinc/04/50/87/181045087.db2.gz WINVFGRIFLUSNN-AAEUAGOBSA-N 1 0 248.757 3.512 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000295136259 136290338 /nfs/dbraw/zinc/29/03/38/136290338.db2.gz YXGNRDHVLHVPPK-FZMZJTMJSA-N 1 0 248.757 3.512 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCCc1ncccc1C ZINC000295139514 353802801 /nfs/dbraw/zinc/80/28/01/353802801.db2.gz ZOMALYKQFAPRNI-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCCc1ncccc1C ZINC000295139516 136290400 /nfs/dbraw/zinc/29/04/00/136290400.db2.gz ZOMALYKQFAPRNI-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO CCc1ccc2[nH+]ccc(NCCCC#N)c2c1 ZINC000295143232 535833304 /nfs/dbraw/zinc/83/33/04/535833304.db2.gz ZVORDSKQHPHNSC-UHFFFAOYSA-N 1 0 239.322 3.513 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295863543 135190773 /nfs/dbraw/zinc/19/07/73/135190773.db2.gz BQRLIEDHLUYGEP-ILXRZTDVSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295863544 135190659 /nfs/dbraw/zinc/19/06/59/135190659.db2.gz BQRLIEDHLUYGEP-KKUMJFAQSA-N 1 0 242.366 3.728 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000295964743 136230494 /nfs/dbraw/zinc/23/04/94/136230494.db2.gz MHZJRMFISBBDFZ-NEPJUHHUSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000295964748 166297822 /nfs/dbraw/zinc/29/78/22/166297822.db2.gz MHZJRMFISBBDFZ-NWDGAFQWSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000295964751 166301407 /nfs/dbraw/zinc/30/14/07/166301407.db2.gz MHZJRMFISBBDFZ-RYUDHWBXSA-N 1 0 207.317 3.675 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000295964754 166297858 /nfs/dbraw/zinc/29/78/58/166297858.db2.gz MHZJRMFISBBDFZ-VXGBXAGGSA-N 1 0 207.317 3.675 20 30 BHEDRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296231502 135191447 /nfs/dbraw/zinc/19/14/47/135191447.db2.gz CDNVYXDVIISTGZ-AGIUHOORSA-N 1 0 248.395 3.790 20 30 BHEDRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296231505 135191179 /nfs/dbraw/zinc/19/11/79/135191179.db2.gz CDNVYXDVIISTGZ-AVGNSLFASA-N 1 0 248.395 3.790 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccsc1 ZINC000296293429 535809176 /nfs/dbraw/zinc/80/91/76/535809176.db2.gz FPDMXNBFQIPQOS-FPMFFAJLSA-N 1 0 248.395 3.871 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccsc1 ZINC000296293432 135191375 /nfs/dbraw/zinc/19/13/75/135191375.db2.gz FPDMXNBFQIPQOS-UBHSHLNASA-N 1 0 248.395 3.871 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)oc1C ZINC000296359485 136290692 /nfs/dbraw/zinc/29/06/92/136290692.db2.gz IRJCONMLNKGPLU-UBHSHLNASA-N 1 0 246.354 3.629 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)oc1C ZINC000296359489 178233283 /nfs/dbraw/zinc/23/32/83/178233283.db2.gz IRJCONMLNKGPLU-XBFCOCLRSA-N 1 0 246.354 3.629 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cs1 ZINC000296384240 136290848 /nfs/dbraw/zinc/29/08/48/136290848.db2.gz JSYVUUOFZWRUEA-DYEKYZERSA-N 1 0 248.395 3.790 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cs1 ZINC000296384243 136290728 /nfs/dbraw/zinc/29/07/28/136290728.db2.gz JSYVUUOFZWRUEA-OBJOEFQTSA-N 1 0 248.395 3.790 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000296439028 136290844 /nfs/dbraw/zinc/29/08/44/136290844.db2.gz MEQQPNGQBOHXBB-BPUTZDHNSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000296439029 535809121 /nfs/dbraw/zinc/80/91/21/535809121.db2.gz MEQQPNGQBOHXBB-CWRNSKLLSA-N 1 0 242.366 3.810 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c(C)o1 ZINC000296567084 135192257 /nfs/dbraw/zinc/19/22/57/135192257.db2.gz SPPNIMXFLZVZPK-UBHSHLNASA-N 1 0 246.354 3.629 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c(C)o1 ZINC000296567085 135191689 /nfs/dbraw/zinc/19/16/89/135191689.db2.gz SPPNIMXFLZVZPK-XBFCOCLRSA-N 1 0 246.354 3.629 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1 ZINC000296577974 135191697 /nfs/dbraw/zinc/19/16/97/135191697.db2.gz UBVPKEDRLJVEQP-HUBLWGQQSA-N 1 0 246.329 3.559 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1 ZINC000296577975 135191760 /nfs/dbraw/zinc/19/17/60/135191760.db2.gz UBVPKEDRLJVEQP-XUJVJEKNSA-N 1 0 246.329 3.559 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)o1 ZINC000296581035 135192368 /nfs/dbraw/zinc/19/23/68/135192368.db2.gz UHNCGTMAFNJBOM-AGIUHOORSA-N 1 0 246.354 3.575 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)o1 ZINC000296581037 135192041 /nfs/dbraw/zinc/19/20/41/135192041.db2.gz UHNCGTMAFNJBOM-AVGNSLFASA-N 1 0 246.354 3.575 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(F)c1 ZINC000296589056 135192665 /nfs/dbraw/zinc/19/26/65/135192665.db2.gz UVDSSVOAGYWNNH-HUBLWGQQSA-N 1 0 246.329 3.559 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(F)c1 ZINC000296589059 135193035 /nfs/dbraw/zinc/19/30/35/135193035.db2.gz UVDSSVOAGYWNNH-XUJVJEKNSA-N 1 0 246.329 3.559 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000296607026 135192814 /nfs/dbraw/zinc/19/28/14/135192814.db2.gz VZGVEVSAUQHERA-YCPHGPKFSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)s1 ZINC000296611939 135193016 /nfs/dbraw/zinc/19/30/16/135193016.db2.gz WIYAZTOSTDCRIJ-AGIUHOORSA-N 1 0 248.395 3.790 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)s1 ZINC000296611941 135192803 /nfs/dbraw/zinc/19/28/03/135192803.db2.gz WIYAZTOSTDCRIJ-AVGNSLFASA-N 1 0 248.395 3.790 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC(C)(F)F)c1ccco1 ZINC000296634796 166295318 /nfs/dbraw/zinc/29/53/18/166295318.db2.gz BOUCXWWFDLYORW-LLVKDONJSA-N 1 0 243.297 3.922 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC(C)(F)F)c1ccco1 ZINC000296634800 166302512 /nfs/dbraw/zinc/30/25/12/166302512.db2.gz BOUCXWWFDLYORW-NSHDSACASA-N 1 0 243.297 3.922 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000296650162 135192976 /nfs/dbraw/zinc/19/29/76/135192976.db2.gz YTULJRRSBIXWRJ-YCPHGPKFSA-N 1 0 242.366 3.728 20 30 BHEDRO CC[C@H]([NH2+]C1(CC)CC1)c1ccc(C#N)cc1 ZINC000296651565 388602540 /nfs/dbraw/zinc/60/25/40/388602540.db2.gz YWCHSASIRNBKAN-AWEZNQCLSA-N 1 0 228.339 3.542 20 30 BHEDRO CC[C@@H]([NH2+]C1(CC)CC1)c1ccc(C#N)cc1 ZINC000296651566 388603170 /nfs/dbraw/zinc/60/31/70/388603170.db2.gz YWCHSASIRNBKAN-CQSZACIVSA-N 1 0 228.339 3.542 20 30 BHEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCC#N ZINC000296705415 136290954 /nfs/dbraw/zinc/29/09/54/136290954.db2.gz MTADTGIINGBNOW-FMKPAKJESA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCC#N ZINC000296705417 136290956 /nfs/dbraw/zinc/29/09/56/136290956.db2.gz MTADTGIINGBNOW-IIAWOOMASA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCC#N ZINC000296705420 136290899 /nfs/dbraw/zinc/29/08/99/136290899.db2.gz MTADTGIINGBNOW-IJEWVQPXSA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCC#N ZINC000296705422 135193479 /nfs/dbraw/zinc/19/34/79/135193479.db2.gz MTADTGIINGBNOW-YCPHGPKFSA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1F ZINC000296716131 135194012 /nfs/dbraw/zinc/19/40/12/135194012.db2.gz NIWWTKYLOWYDDZ-AGIUHOORSA-N 1 0 246.329 3.559 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1F ZINC000296716135 135193860 /nfs/dbraw/zinc/19/38/60/135193860.db2.gz NIWWTKYLOWYDDZ-AVGNSLFASA-N 1 0 246.329 3.559 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1nccn1CC ZINC000297222588 353843292 /nfs/dbraw/zinc/84/32/92/353843292.db2.gz HHJSUDFSCOEXLR-AWEZNQCLSA-N 1 0 249.402 3.690 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1nccn1CC ZINC000297222589 353844114 /nfs/dbraw/zinc/84/41/14/353844114.db2.gz HHJSUDFSCOEXLR-CQSZACIVSA-N 1 0 249.402 3.690 20 30 BHEDRO C[N@H+](CCCC#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297452462 135195796 /nfs/dbraw/zinc/19/57/96/135195796.db2.gz HIZZBBAZBLIJJN-CVEARBPZSA-N 1 0 242.366 3.558 20 30 BHEDRO C[N@H+](CCCC#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297452464 135195790 /nfs/dbraw/zinc/19/57/90/135195790.db2.gz HIZZBBAZBLIJJN-HOTGVXAUSA-N 1 0 242.366 3.558 20 30 BHEDRO C[N@H+](CCCC#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297452466 135195962 /nfs/dbraw/zinc/19/59/62/135195962.db2.gz HIZZBBAZBLIJJN-HZPDHXFCSA-N 1 0 242.366 3.558 20 30 BHEDRO C[N@H+](CCCC#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297452468 135195830 /nfs/dbraw/zinc/19/58/30/135195830.db2.gz HIZZBBAZBLIJJN-JKSUJKDBSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000297736733 135196643 /nfs/dbraw/zinc/19/66/43/135196643.db2.gz CVRSJDODSDJRCA-AAEUAGOBSA-N 1 0 234.368 3.577 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000297736735 135196189 /nfs/dbraw/zinc/19/61/89/135196189.db2.gz CVRSJDODSDJRCA-DGCLKSJQSA-N 1 0 234.368 3.577 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000297736738 135196478 /nfs/dbraw/zinc/19/64/78/135196478.db2.gz CVRSJDODSDJRCA-WCQYABFASA-N 1 0 234.368 3.577 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000297736741 135196733 /nfs/dbraw/zinc/19/67/33/135196733.db2.gz CVRSJDODSDJRCA-YPMHNXCESA-N 1 0 234.368 3.577 20 30 BHEDRO CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000297775922 135196427 /nfs/dbraw/zinc/19/64/27/135196427.db2.gz GKGVQSLQTPVITG-CVEARBPZSA-N 1 0 242.366 3.591 20 30 BHEDRO CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000297775925 135196166 /nfs/dbraw/zinc/19/61/66/135196166.db2.gz GKGVQSLQTPVITG-HOTGVXAUSA-N 1 0 242.366 3.591 20 30 BHEDRO CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000297775930 135196196 /nfs/dbraw/zinc/19/61/96/135196196.db2.gz GKGVQSLQTPVITG-HZPDHXFCSA-N 1 0 242.366 3.591 20 30 BHEDRO CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000297775935 135196391 /nfs/dbraw/zinc/19/63/91/135196391.db2.gz GKGVQSLQTPVITG-JKSUJKDBSA-N 1 0 242.366 3.591 20 30 BHEDRO CCC[N@H+](Cc1ccccc1)[C@@H](C)CCC#N ZINC000297783216 135196421 /nfs/dbraw/zinc/19/64/21/135196421.db2.gz GUODATCJURIONN-AWEZNQCLSA-N 1 0 230.355 3.591 20 30 BHEDRO CCC[N@H+](Cc1ccccc1)[C@H](C)CCC#N ZINC000297783218 135196559 /nfs/dbraw/zinc/19/65/59/135196559.db2.gz GUODATCJURIONN-CQSZACIVSA-N 1 0 230.355 3.591 20 30 BHEDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)CCC#N ZINC000297935813 411483341 /nfs/dbraw/zinc/48/33/41/411483341.db2.gz AAQHZZVCOOCSJY-NEPJUHHUSA-N 1 0 248.395 3.751 20 30 BHEDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)CCC#N ZINC000297935817 411483319 /nfs/dbraw/zinc/48/33/19/411483319.db2.gz AAQHZZVCOOCSJY-RYUDHWBXSA-N 1 0 248.395 3.751 20 30 BHEDRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)CCC#N ZINC000297935821 411483367 /nfs/dbraw/zinc/48/33/67/411483367.db2.gz AAQHZZVCOOCSJY-VXGBXAGGSA-N 1 0 248.395 3.751 20 30 BHEDRO C[C@H](CCC#N)[N@H+](C)Cc1ccc(Cl)s1 ZINC000297962803 135197885 /nfs/dbraw/zinc/19/78/85/135197885.db2.gz UQPJUKJMURBCMJ-SECBINFHSA-N 1 0 242.775 3.526 20 30 BHEDRO C[C@@H](CCC#N)[N@H+](C)Cc1ccc(Cl)s1 ZINC000297962804 135197839 /nfs/dbraw/zinc/19/78/39/135197839.db2.gz UQPJUKJMURBCMJ-VIFPVBQESA-N 1 0 242.775 3.526 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000298463250 135198996 /nfs/dbraw/zinc/19/89/96/135198996.db2.gz RUYHHMCTHOUEAE-CHWSQXEVSA-N 1 0 242.366 3.907 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000298463252 135198848 /nfs/dbraw/zinc/19/88/48/135198848.db2.gz RUYHHMCTHOUEAE-OLZOCXBDSA-N 1 0 242.366 3.907 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cccc(C2CC2)c1 ZINC000298463253 135199034 /nfs/dbraw/zinc/19/90/34/135199034.db2.gz RUYHHMCTHOUEAE-QWHCGFSZSA-N 1 0 242.366 3.907 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000298463255 135199237 /nfs/dbraw/zinc/19/92/37/135199237.db2.gz RUYHHMCTHOUEAE-STQMWFEESA-N 1 0 242.366 3.907 20 30 BHEDRO CSc1ccccc1C[N@H+](C)[C@H](C)CCC#N ZINC000298491707 135199186 /nfs/dbraw/zinc/19/91/86/135199186.db2.gz JOHSFMBAISXBPM-GFCCVEGCSA-N 1 0 248.395 3.533 20 30 BHEDRO CSc1ccccc1C[N@H+](C)[C@@H](C)CCC#N ZINC000298491711 135199126 /nfs/dbraw/zinc/19/91/26/135199126.db2.gz JOHSFMBAISXBPM-LBPRGKRZSA-N 1 0 248.395 3.533 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000298539371 135199041 /nfs/dbraw/zinc/19/90/41/135199041.db2.gz MXSJPRNACBBWRZ-BMFZPTHFSA-N 1 0 242.366 3.605 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000298539373 135198647 /nfs/dbraw/zinc/19/86/47/135198647.db2.gz MXSJPRNACBBWRZ-FVQBIDKESA-N 1 0 242.366 3.605 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000298539376 135199065 /nfs/dbraw/zinc/19/90/65/135199065.db2.gz MXSJPRNACBBWRZ-KBMXLJTQSA-N 1 0 242.366 3.605 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000298539377 135198772 /nfs/dbraw/zinc/19/87/72/135198772.db2.gz MXSJPRNACBBWRZ-VNQPRFMTSA-N 1 0 242.366 3.605 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000298552791 135199799 /nfs/dbraw/zinc/19/97/99/135199799.db2.gz OIPYNECQTVSJKH-AAEUAGOBSA-N 1 0 248.395 3.823 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000298552794 135199864 /nfs/dbraw/zinc/19/98/64/135199864.db2.gz OIPYNECQTVSJKH-DGCLKSJQSA-N 1 0 248.395 3.823 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000298552796 135199974 /nfs/dbraw/zinc/19/99/74/135199974.db2.gz OIPYNECQTVSJKH-WCQYABFASA-N 1 0 248.395 3.823 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000298552798 135199826 /nfs/dbraw/zinc/19/98/26/135199826.db2.gz OIPYNECQTVSJKH-YPMHNXCESA-N 1 0 248.395 3.823 20 30 BHEDRO CSc1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000298613863 135199835 /nfs/dbraw/zinc/19/98/35/135199835.db2.gz UEGBYGGVOZFKSF-NEPJUHHUSA-N 1 0 248.395 3.751 20 30 BHEDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000298613872 135199979 /nfs/dbraw/zinc/19/99/79/135199979.db2.gz UEGBYGGVOZFKSF-NWDGAFQWSA-N 1 0 248.395 3.751 20 30 BHEDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000298613880 135199639 /nfs/dbraw/zinc/19/96/39/135199639.db2.gz UEGBYGGVOZFKSF-RYUDHWBXSA-N 1 0 248.395 3.751 20 30 BHEDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000298613889 135199734 /nfs/dbraw/zinc/19/97/34/135199734.db2.gz UEGBYGGVOZFKSF-VXGBXAGGSA-N 1 0 248.395 3.751 20 30 BHEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC#N ZINC000299044582 135200916 /nfs/dbraw/zinc/20/09/16/135200916.db2.gz RYFBNRXVHSYNSH-HNNXBMFYSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC#N ZINC000299044585 135200724 /nfs/dbraw/zinc/20/07/24/135200724.db2.gz RYFBNRXVHSYNSH-OAHLLOKOSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1cccc([C@H]([NH2+]CCC#N)C(C)(C)C)c1 ZINC000299144543 135202272 /nfs/dbraw/zinc/20/22/72/135202272.db2.gz WOFGEPMXAKCWQW-AWEZNQCLSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1cccc([C@@H]([NH2+]CCC#N)C(C)(C)C)c1 ZINC000299144553 135202248 /nfs/dbraw/zinc/20/22/48/135202248.db2.gz WOFGEPMXAKCWQW-CQSZACIVSA-N 1 0 230.355 3.586 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000299195474 135202778 /nfs/dbraw/zinc/20/27/78/135202778.db2.gz DYMJIQMRCJLVDI-FMKPAKJESA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000299195475 135202716 /nfs/dbraw/zinc/20/27/16/135202716.db2.gz DYMJIQMRCJLVDI-IIAWOOMASA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000299195476 135202668 /nfs/dbraw/zinc/20/26/68/135202668.db2.gz DYMJIQMRCJLVDI-IJEWVQPXSA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000299195477 135202613 /nfs/dbraw/zinc/20/26/13/135202613.db2.gz DYMJIQMRCJLVDI-YCPHGPKFSA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@H](CCC#N)[N@H+](C)Cc1cc2ccccc2o1 ZINC000299208243 135202573 /nfs/dbraw/zinc/20/25/73/135202573.db2.gz HEARHEPTMKRQNQ-GFCCVEGCSA-N 1 0 242.322 3.557 20 30 BHEDRO C[C@@H](CCC#N)[N@H+](C)Cc1cc2ccccc2o1 ZINC000299208259 135202645 /nfs/dbraw/zinc/20/26/45/135202645.db2.gz HEARHEPTMKRQNQ-LBPRGKRZSA-N 1 0 242.322 3.557 20 30 BHEDRO C[C@H](c1ccccc1)[N@H+](CCCC#N)C1CC1 ZINC000299377714 135203279 /nfs/dbraw/zinc/20/32/79/135203279.db2.gz MVDVSVNIUVTVHH-CYBMUJFWSA-N 1 0 228.339 3.516 20 30 BHEDRO C[C@@H](c1ccccc1)[N@H+](CCCC#N)C1CC1 ZINC000299377720 135203357 /nfs/dbraw/zinc/20/33/57/135203357.db2.gz MVDVSVNIUVTVHH-ZDUSSCGKSA-N 1 0 228.339 3.516 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000299401222 135203056 /nfs/dbraw/zinc/20/30/56/135203056.db2.gz UXYMHJWNEIYEJN-FMKPAKJESA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000299401225 135203099 /nfs/dbraw/zinc/20/30/99/135203099.db2.gz UXYMHJWNEIYEJN-IIAWOOMASA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000299401229 135203106 /nfs/dbraw/zinc/20/31/06/135203106.db2.gz UXYMHJWNEIYEJN-IJEWVQPXSA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000299401233 135203454 /nfs/dbraw/zinc/20/34/54/135203454.db2.gz UXYMHJWNEIYEJN-YCPHGPKFSA-N 1 0 242.366 3.557 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCCC#N ZINC000299425644 135203144 /nfs/dbraw/zinc/20/31/44/135203144.db2.gz SVCFMLPLSDADOH-HNNXBMFYSA-N 1 0 230.355 3.763 20 30 BHEDRO CC[C@H](c1ccccc1)[N@H+](CC)CCCC#N ZINC000299425649 135203423 /nfs/dbraw/zinc/20/34/23/135203423.db2.gz SVCFMLPLSDADOH-OAHLLOKOSA-N 1 0 230.355 3.763 20 30 BHEDRO CCN(CCC#N)[C@H](C)c1ccccc1Cl ZINC000299447976 135204043 /nfs/dbraw/zinc/20/40/43/135204043.db2.gz YMBOIWOHRITGBW-LLVKDONJSA-N 1 0 236.746 3.637 20 30 BHEDRO CCN(CCC#N)[C@@H](C)c1ccccc1Cl ZINC000299447977 135204569 /nfs/dbraw/zinc/20/45/69/135204569.db2.gz YMBOIWOHRITGBW-NSHDSACASA-N 1 0 236.746 3.637 20 30 BHEDRO C[C@H](CCC#N)[NH+]1CCC(c2ccsc2)CC1 ZINC000299451661 135204413 /nfs/dbraw/zinc/20/44/13/135204413.db2.gz WSJWDGKQLVELEA-GFCCVEGCSA-N 1 0 248.395 3.620 20 30 BHEDRO C[C@@H](CCC#N)[NH+]1CCC(c2ccsc2)CC1 ZINC000299451673 135204619 /nfs/dbraw/zinc/20/46/19/135204619.db2.gz WSJWDGKQLVELEA-LBPRGKRZSA-N 1 0 248.395 3.620 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000299523980 386461614 /nfs/dbraw/zinc/46/16/14/386461614.db2.gz LYNVCEABMXAVLR-CYBMUJFWSA-N 1 0 234.368 3.579 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000299523984 386462237 /nfs/dbraw/zinc/46/22/37/386462237.db2.gz LYNVCEABMXAVLR-ZDUSSCGKSA-N 1 0 234.368 3.579 20 30 BHEDRO N#CCCCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000299530398 135205048 /nfs/dbraw/zinc/20/50/48/135205048.db2.gz GMVAYVJMDVVLRH-HNNXBMFYSA-N 1 0 246.329 3.656 20 30 BHEDRO N#CCCCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000299530399 135205120 /nfs/dbraw/zinc/20/51/20/135205120.db2.gz GMVAYVJMDVVLRH-OAHLLOKOSA-N 1 0 246.329 3.656 20 30 BHEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000299551451 135205341 /nfs/dbraw/zinc/20/53/41/135205341.db2.gz KZNSBHWSEAHODK-INIZCTEOSA-N 1 0 242.366 3.826 20 30 BHEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCCCC#N ZINC000299551455 135205278 /nfs/dbraw/zinc/20/52/78/135205278.db2.gz KZNSBHWSEAHODK-MRXNPFEDSA-N 1 0 242.366 3.826 20 30 BHEDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCCCC#N ZINC000299562719 135204955 /nfs/dbraw/zinc/20/49/55/135204955.db2.gz VXJHBSWEDNLDNP-GFCCVEGCSA-N 1 0 234.318 3.512 20 30 BHEDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCCC#N ZINC000299562726 135205084 /nfs/dbraw/zinc/20/50/84/135205084.db2.gz VXJHBSWEDNLDNP-LBPRGKRZSA-N 1 0 234.318 3.512 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000299597139 135204853 /nfs/dbraw/zinc/20/48/53/135204853.db2.gz PVEMXZFZMSCCEO-HNNXBMFYSA-N 1 0 228.339 3.517 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000299597142 135204830 /nfs/dbraw/zinc/20/48/30/135204830.db2.gz PVEMXZFZMSCCEO-OAHLLOKOSA-N 1 0 228.339 3.517 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CCC#N)c(C)s1 ZINC000299720739 135206419 /nfs/dbraw/zinc/20/64/19/135206419.db2.gz SGQHPHRRBWVOGL-GXSJLCMTSA-N 1 0 236.384 3.708 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@H](C)CCC#N)c(C)s1 ZINC000299720740 135206484 /nfs/dbraw/zinc/20/64/84/135206484.db2.gz SGQHPHRRBWVOGL-KOLCDFICSA-N 1 0 236.384 3.708 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+][C@H](C)CCC#N)c(C)s1 ZINC000299720741 135206452 /nfs/dbraw/zinc/20/64/52/135206452.db2.gz SGQHPHRRBWVOGL-MWLCHTKSSA-N 1 0 236.384 3.708 20 30 BHEDRO Cc1cc([C@H](C)[NH2+][C@@H](C)CCC#N)c(C)s1 ZINC000299720742 135206663 /nfs/dbraw/zinc/20/66/63/135206663.db2.gz SGQHPHRRBWVOGL-ONGXEEELSA-N 1 0 236.384 3.708 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000300011864 386802819 /nfs/dbraw/zinc/80/28/19/386802819.db2.gz MGSPCMZIODTXBR-FPMFFAJLSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300011865 527137508 /nfs/dbraw/zinc/13/75/08/527137508.db2.gz MGSPCMZIODTXBR-UBHSHLNASA-N 1 0 207.361 3.533 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1CCC(C)(C)CC1 ZINC000300119921 527459935 /nfs/dbraw/zinc/45/99/35/527459935.db2.gz JOEAURWYMCLWEG-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000300120039 387576636 /nfs/dbraw/zinc/57/66/36/387576636.db2.gz JXKGKXLTXMKJCY-UONOGXRCSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000300120040 387575693 /nfs/dbraw/zinc/57/56/93/387575693.db2.gz JXKGKXLTXMKJCY-ZIAGYGMSSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000300120117 387575417 /nfs/dbraw/zinc/57/54/17/387575417.db2.gz MHRFEILMSODAKB-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000300120118 387578170 /nfs/dbraw/zinc/57/81/70/387578170.db2.gz MHRFEILMSODAKB-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000300120461 387577299 /nfs/dbraw/zinc/57/72/99/387577299.db2.gz ORRICSDPUKSMHD-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000300120874 387578253 /nfs/dbraw/zinc/57/82/53/387578253.db2.gz QVXSDRBRJPKALM-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000300121424 384177572 /nfs/dbraw/zinc/17/75/72/384177572.db2.gz WAWRHHFFJVGOBW-HUUCEWRRSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000300121425 387579626 /nfs/dbraw/zinc/57/96/26/387579626.db2.gz WAWRHHFFJVGOBW-LSDHHAIUSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)CC[N@H+](C)CCCCC(C)(C)C#N ZINC000300121750 344917661 /nfs/dbraw/zinc/91/76/61/344917661.db2.gz WQRBJGAYOBRMCG-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000300235951 527139078 /nfs/dbraw/zinc/13/90/78/527139078.db2.gz HROAADOLWJDUNP-IHRRRGAJSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000300235952 387918967 /nfs/dbraw/zinc/91/89/67/387918967.db2.gz HROAADOLWJDUNP-MELADBBJSA-N 1 0 209.377 3.755 20 30 BHEDRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000300308276 226369617 /nfs/dbraw/zinc/36/96/17/226369617.db2.gz LTHADFNVNPUBJJ-DVOMOZLQSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000300308277 533885742 /nfs/dbraw/zinc/88/57/42/533885742.db2.gz LTHADFNVNPUBJJ-WWGRRREGSA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000300308713 529301319 /nfs/dbraw/zinc/30/13/19/529301319.db2.gz KUYXMDPWMVCNHL-KFWWJZLASA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000300308714 529301219 /nfs/dbraw/zinc/30/12/19/529301219.db2.gz KUYXMDPWMVCNHL-RBSFLKMASA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000300310651 226369488 /nfs/dbraw/zinc/36/94/88/226369488.db2.gz UMTGHVSSSJEXKI-DVOMOZLQSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000300310652 533885955 /nfs/dbraw/zinc/88/59/55/533885955.db2.gz UMTGHVSSSJEXKI-WWGRRREGSA-N 1 0 242.366 3.645 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1SC ZINC000300358796 346340969 /nfs/dbraw/zinc/34/09/69/346340969.db2.gz AGRAWLKMISLECU-YNEHKIRRSA-N 1 0 227.417 3.605 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000300413408 592511774 /nfs/dbraw/zinc/51/17/74/592511774.db2.gz BTUZGUOQLSNHEY-HRCADAONSA-N 1 0 233.399 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000300413409 592512101 /nfs/dbraw/zinc/51/21/01/592512101.db2.gz BTUZGUOQLSNHEY-OWCLPIDISA-N 1 0 233.399 3.738 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000300417325 592511868 /nfs/dbraw/zinc/51/18/68/592511868.db2.gz QPQWXVHMMBWGSZ-RRFJBIMHSA-N 1 0 241.419 3.893 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000300417327 592511590 /nfs/dbraw/zinc/51/15/90/592511590.db2.gz QPQWXVHMMBWGSZ-ZNMIVQPWSA-N 1 0 241.419 3.893 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)C(C)(C)OC ZINC000301026430 592526797 /nfs/dbraw/zinc/52/67/97/592526797.db2.gz SCMSBEHLHROLRD-CYBMUJFWSA-N 1 0 229.408 3.750 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)C(C)(C)OC ZINC000301026431 592527349 /nfs/dbraw/zinc/52/73/49/592527349.db2.gz SCMSBEHLHROLRD-ZDUSSCGKSA-N 1 0 229.408 3.750 20 30 BHEDRO C#CCCCCNc1cc[nH+]c2cc(F)ccc12 ZINC000301654621 136265181 /nfs/dbraw/zinc/26/51/81/136265181.db2.gz USQQBQOYXQYQMB-UHFFFAOYSA-N 1 0 242.297 3.589 20 30 BHEDRO C=C[C@@H](C)Nc1cc(C)[nH+]c2ccc(F)cc12 ZINC000301678342 136265175 /nfs/dbraw/zinc/26/51/75/136265175.db2.gz QZORJAQVNUNPHR-SECBINFHSA-N 1 0 230.286 3.669 20 30 BHEDRO C=C[C@H](C)Nc1cc(C)[nH+]c2ccc(F)cc12 ZINC000301678343 136265243 /nfs/dbraw/zinc/26/52/43/136265243.db2.gz QZORJAQVNUNPHR-VIFPVBQESA-N 1 0 230.286 3.669 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000301726784 527236055 /nfs/dbraw/zinc/23/60/55/527236055.db2.gz BCCKAFCYCMCPKD-CYBMUJFWSA-N 1 0 233.355 3.620 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000301726785 527233878 /nfs/dbraw/zinc/23/38/78/527233878.db2.gz BCCKAFCYCMCPKD-ZDUSSCGKSA-N 1 0 233.355 3.620 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccccc1OCC ZINC000301727677 527235107 /nfs/dbraw/zinc/23/51/07/527235107.db2.gz JVINZEFVGSQFHB-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccccc1OCC ZINC000301727678 527234026 /nfs/dbraw/zinc/23/40/26/527234026.db2.gz JVINZEFVGSQFHB-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO CC1(C#N)CC[NH+](CCC2CCCCC2)CC1 ZINC000301762366 528841727 /nfs/dbraw/zinc/84/17/27/528841727.db2.gz PPLUGPPAQZRNNL-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[N@H+](CCCC(C)(C)C)Cc1cccc(C#N)c1 ZINC000301951180 388617087 /nfs/dbraw/zinc/61/70/87/388617087.db2.gz DQOJFWQLVNMQEQ-UHFFFAOYSA-N 1 0 244.382 3.816 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC2(CCCC2)C1 ZINC000302024443 347460470 /nfs/dbraw/zinc/46/04/70/347460470.db2.gz YHZJQRSLAIILOC-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C=C(C)CN(C)c1cc(C)[nH+]c2ccccc21 ZINC000302077162 134157380 /nfs/dbraw/zinc/15/73/80/134157380.db2.gz WRWLYWNOEPQAPS-UHFFFAOYSA-N 1 0 226.323 3.556 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000302094450 592544627 /nfs/dbraw/zinc/54/46/27/592544627.db2.gz GIWMXARKJASVET-HNNXBMFYSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000302094452 592544584 /nfs/dbraw/zinc/54/45/84/592544584.db2.gz GIWMXARKJASVET-OAHLLOKOSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(OCCC)cc1 ZINC000302097934 356598860 /nfs/dbraw/zinc/59/88/60/356598860.db2.gz HYDMIDBLETUNKW-UHFFFAOYSA-N 1 0 233.355 3.531 20 30 BHEDRO C=CCCC[NH2+]Cc1cccc(OCCC)c1 ZINC000302119553 527233943 /nfs/dbraw/zinc/23/39/43/527233943.db2.gz TZKIVLIZDSPFNE-UHFFFAOYSA-N 1 0 233.355 3.531 20 30 BHEDRO C=C[C@@H](C)Nc1cc[nH+]c2ccc(C)cc12 ZINC000302203319 384970233 /nfs/dbraw/zinc/97/02/33/384970233.db2.gz BYRQEEFMFLLWBM-LLVKDONJSA-N 1 0 212.296 3.530 20 30 BHEDRO C=C[C@H](C)Nc1cc[nH+]c2ccc(C)cc12 ZINC000302203320 384970865 /nfs/dbraw/zinc/97/08/65/384970865.db2.gz BYRQEEFMFLLWBM-NSHDSACASA-N 1 0 212.296 3.530 20 30 BHEDRO C#CCCCCNc1cc[nH+]c2ccc(C)cc12 ZINC000302240119 134157882 /nfs/dbraw/zinc/15/78/82/134157882.db2.gz XHNIHWLKKGODKD-UHFFFAOYSA-N 1 0 238.334 3.759 20 30 BHEDRO C#C[C@H]([NH2+]Cc1csc2ccccc12)C(C)C ZINC000302333048 592546835 /nfs/dbraw/zinc/54/68/35/592546835.db2.gz LBPZPMYRLKAFBO-AWEZNQCLSA-N 1 0 243.375 3.649 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1csc2ccccc12)C(C)C ZINC000302333049 592546330 /nfs/dbraw/zinc/54/63/30/592546330.db2.gz LBPZPMYRLKAFBO-CQSZACIVSA-N 1 0 243.375 3.649 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(C)C ZINC000302374837 592547429 /nfs/dbraw/zinc/54/74/29/592547429.db2.gz OXPDCRRXSABLSX-DOMZBBRYSA-N 1 0 249.785 3.518 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(C)C ZINC000302374841 592547895 /nfs/dbraw/zinc/54/78/95/592547895.db2.gz OXPDCRRXSABLSX-IUODEOHRSA-N 1 0 249.785 3.518 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(C)C ZINC000302374844 592547790 /nfs/dbraw/zinc/54/77/90/592547790.db2.gz OXPDCRRXSABLSX-SWLSCSKDSA-N 1 0 249.785 3.518 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(C)C ZINC000302374847 592547451 /nfs/dbraw/zinc/54/74/51/592547451.db2.gz OXPDCRRXSABLSX-WFASDCNBSA-N 1 0 249.785 3.518 20 30 BHEDRO CC(C)C[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000302447306 528461823 /nfs/dbraw/zinc/46/18/23/528461823.db2.gz WZVPSVQDTPBDIV-KBPBESRZSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000302447307 528254038 /nfs/dbraw/zinc/25/40/38/528254038.db2.gz WZVPSVQDTPBDIV-KGLIPLIRSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000302447308 528461808 /nfs/dbraw/zinc/46/18/08/528461808.db2.gz WZVPSVQDTPBDIV-UONOGXRCSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000302447309 528253501 /nfs/dbraw/zinc/25/35/01/528253501.db2.gz WZVPSVQDTPBDIV-ZIAGYGMSSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C[C@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000302453176 528458553 /nfs/dbraw/zinc/45/85/53/528458553.db2.gz XQYQBWHWWLDMED-AWEZNQCLSA-N 1 0 244.382 3.672 20 30 BHEDRO CC(C)C[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000302453178 528250219 /nfs/dbraw/zinc/25/02/19/528250219.db2.gz XQYQBWHWWLDMED-CQSZACIVSA-N 1 0 244.382 3.672 20 30 BHEDRO C=CCCC[C@@H](C)Nc1cc[nH+]c(C)c1 ZINC000302503757 384998875 /nfs/dbraw/zinc/99/88/75/384998875.db2.gz VVWHPNLJHVYHEM-LLVKDONJSA-N 1 0 204.317 3.547 20 30 BHEDRO C=CCCC[C@H](C)Nc1cc[nH+]c(C)c1 ZINC000302503758 384999695 /nfs/dbraw/zinc/99/96/95/384999695.db2.gz VVWHPNLJHVYHEM-NSHDSACASA-N 1 0 204.317 3.547 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000302734817 350095233 /nfs/dbraw/zinc/09/52/33/350095233.db2.gz BUZUOGAODHILEG-UHFFFAOYSA-N 1 0 230.138 3.611 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(F)cc1Cl ZINC000302741866 526547361 /nfs/dbraw/zinc/54/73/61/526547361.db2.gz LGTURXODDFZQEO-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000302748650 526549128 /nfs/dbraw/zinc/54/91/28/526549128.db2.gz UAVHOOLBCHASKK-GFCCVEGCSA-N 1 0 248.326 3.554 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000302748651 526549048 /nfs/dbraw/zinc/54/90/48/526549048.db2.gz UAVHOOLBCHASKK-LBPRGKRZSA-N 1 0 248.326 3.554 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1ccccc1 ZINC000302749417 526549082 /nfs/dbraw/zinc/54/90/82/526549082.db2.gz UUQILOLGJMIWPJ-CYBMUJFWSA-N 1 0 203.329 3.646 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1ccccc1 ZINC000302749418 526549578 /nfs/dbraw/zinc/54/95/78/526549578.db2.gz UUQILOLGJMIWPJ-ZDUSSCGKSA-N 1 0 203.329 3.646 20 30 BHEDRO C=C(C)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000302796307 526577438 /nfs/dbraw/zinc/57/74/38/526577438.db2.gz BIBUAXSMNBZAND-UHFFFAOYSA-N 1 0 229.367 3.517 20 30 BHEDRO C=C(Cl)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000302797803 644785118 /nfs/dbraw/zinc/78/51/18/644785118.db2.gz JIHSFEOCGFRDBX-UHFFFAOYSA-N 1 0 249.785 3.694 20 30 BHEDRO C=C(Cl)C[NH+](CCCC)CCCC ZINC000302815420 644786849 /nfs/dbraw/zinc/78/68/49/644786849.db2.gz UFJXTHCVHKUAHW-UHFFFAOYSA-N 1 0 203.757 3.641 20 30 BHEDRO C=CC[N@@H+](CC(=C)C)Cc1ccc(Cl)s1 ZINC000302834023 490604425 /nfs/dbraw/zinc/60/44/25/490604425.db2.gz RLXMGONKZMBAMU-UHFFFAOYSA-N 1 0 241.787 3.966 20 30 BHEDRO C=C(Cl)C[N@@H+](CCC)Cc1ccccc1 ZINC000302837647 644787403 /nfs/dbraw/zinc/78/74/03/644787403.db2.gz NTUMULOGIWHMNU-UHFFFAOYSA-N 1 0 223.747 3.651 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000302838605 490606824 /nfs/dbraw/zinc/60/68/24/490606824.db2.gz SBKKHGNWKNYLIS-AWEZNQCLSA-N 1 0 229.367 3.863 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000302838606 490606777 /nfs/dbraw/zinc/60/67/77/490606777.db2.gz SBKKHGNWKNYLIS-CQSZACIVSA-N 1 0 229.367 3.863 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1nccs1 ZINC000302907507 711772119 /nfs/dbraw/zinc/77/21/19/711772119.db2.gz YLRCSGSLXGZERI-UHFFFAOYSA-N 1 0 240.416 3.983 20 30 BHEDRO C=CC[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000302959748 488063511 /nfs/dbraw/zinc/06/35/11/488063511.db2.gz OMWZWWDAISLFAA-UHFFFAOYSA-N 1 0 243.394 3.826 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1)CCC(C)C ZINC000302984876 388850174 /nfs/dbraw/zinc/85/01/74/388850174.db2.gz LFPJWNKATPBQLM-UHFFFAOYSA-N 1 0 231.383 3.763 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000303080852 386955041 /nfs/dbraw/zinc/95/50/41/386955041.db2.gz BQZYZOCZUUFMOO-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000303080853 386954908 /nfs/dbraw/zinc/95/49/08/386954908.db2.gz BQZYZOCZUUFMOO-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000303080895 386954496 /nfs/dbraw/zinc/95/44/96/386954496.db2.gz IZXSCIYCWAVALI-HNNXBMFYSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000303080896 527235575 /nfs/dbraw/zinc/23/55/75/527235575.db2.gz IZXSCIYCWAVALI-OAHLLOKOSA-N 1 0 217.356 3.940 20 30 BHEDRO CC(C)[N@H+](CCC#N)CCC1CCCCC1 ZINC000303218668 323127319 /nfs/dbraw/zinc/12/73/19/323127319.db2.gz LUYXVOQJPWQHKL-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000303224539 350108943 /nfs/dbraw/zinc/10/89/43/350108943.db2.gz WBWIIXVUHNYEDE-INIZCTEOSA-N 1 0 229.367 3.832 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000303224540 350108794 /nfs/dbraw/zinc/10/87/94/350108794.db2.gz WBWIIXVUHNYEDE-MRXNPFEDSA-N 1 0 229.367 3.832 20 30 BHEDRO C=C(C)C[N@H+](CC)CCc1ccccc1Cl ZINC000303239915 350110370 /nfs/dbraw/zinc/11/03/70/350110370.db2.gz IXENUWCFPPCCOA-UHFFFAOYSA-N 1 0 237.774 3.781 20 30 BHEDRO C=CC[NH+](CC=C)CCc1ccccc1Cl ZINC000303251105 385917207 /nfs/dbraw/zinc/91/72/07/385917207.db2.gz NGDUOZNIHFKPPV-UHFFFAOYSA-N 1 0 235.758 3.557 20 30 BHEDRO C=CC[N@@H+](CC(=C)C)CC1CCCCC1 ZINC000303432220 527580776 /nfs/dbraw/zinc/58/07/76/527580776.db2.gz FADFVHLJNDMJTI-UHFFFAOYSA-N 1 0 207.361 3.631 20 30 BHEDRO C=CC[N@@H+](C/C=C/Cl)CC1CCCCC1 ZINC000303464949 644826180 /nfs/dbraw/zinc/82/61/80/644826180.db2.gz PBCLCBBYWFKQOE-RMKNXTFCSA-N 1 0 227.779 3.807 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000303520078 527234086 /nfs/dbraw/zinc/23/40/86/527234086.db2.gz LAQVYYKDJQCTHB-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000303520080 527235421 /nfs/dbraw/zinc/23/54/21/527235421.db2.gz LAQVYYKDJQCTHB-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000303520082 527234477 /nfs/dbraw/zinc/23/44/77/527234477.db2.gz LFNYWZNNAIWILV-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000303520084 527235803 /nfs/dbraw/zinc/23/58/03/527235803.db2.gz LFNYWZNNAIWILV-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000303520114 527234858 /nfs/dbraw/zinc/23/48/58/527234858.db2.gz MQKMZSRHFJKPLV-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000303520116 527235691 /nfs/dbraw/zinc/23/56/91/527235691.db2.gz MQKMZSRHFJKPLV-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000303520600 527234196 /nfs/dbraw/zinc/23/41/96/527234196.db2.gz RTGISXDUKQRDHS-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000303520602 527236040 /nfs/dbraw/zinc/23/60/40/527236040.db2.gz RTGISXDUKQRDHS-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000303520665 527234618 /nfs/dbraw/zinc/23/46/18/527234618.db2.gz VKLRDWFYZOYQIZ-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1c(F)cccc1F ZINC000303520667 527235508 /nfs/dbraw/zinc/23/55/08/527235508.db2.gz VKLRDWFYZOYQIZ-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000303520676 527234451 /nfs/dbraw/zinc/23/44/51/527234451.db2.gz WMKXWGLLYCXHTP-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000303520679 527235567 /nfs/dbraw/zinc/23/55/67/527235567.db2.gz WMKXWGLLYCXHTP-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303558265 644830513 /nfs/dbraw/zinc/83/05/13/644830513.db2.gz KTWHLPQNQNUEKU-CYBMUJFWSA-N 1 0 225.763 3.561 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303558266 644829934 /nfs/dbraw/zinc/82/99/34/644829934.db2.gz KTWHLPQNQNUEKU-ZDUSSCGKSA-N 1 0 225.763 3.561 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303577369 526605789 /nfs/dbraw/zinc/60/57/89/526605789.db2.gz JVIVMIOKMLFUHI-INIZCTEOSA-N 1 0 229.367 3.616 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303577370 526606683 /nfs/dbraw/zinc/60/66/83/526606683.db2.gz JVIVMIOKMLFUHI-MRXNPFEDSA-N 1 0 229.367 3.616 20 30 BHEDRO C=C(Cl)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303585119 644833133 /nfs/dbraw/zinc/83/31/33/644833133.db2.gz LDHNIRHZZAUOND-HNNXBMFYSA-N 1 0 249.785 3.793 20 30 BHEDRO C=C(Cl)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303585120 644832186 /nfs/dbraw/zinc/83/21/86/644832186.db2.gz LDHNIRHZZAUOND-OAHLLOKOSA-N 1 0 249.785 3.793 20 30 BHEDRO C=C(Cl)C[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000303603388 644833592 /nfs/dbraw/zinc/83/35/92/644833592.db2.gz NYMSWEXKRXRCBE-HNNXBMFYSA-N 1 0 249.785 3.754 20 30 BHEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000303603391 644833708 /nfs/dbraw/zinc/83/37/08/644833708.db2.gz NYMSWEXKRXRCBE-OAHLLOKOSA-N 1 0 249.785 3.754 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000303630984 369428160 /nfs/dbraw/zinc/42/81/60/369428160.db2.gz FSPVTCBFALCGKE-CYBMUJFWSA-N 1 0 209.377 3.711 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000303630986 369429535 /nfs/dbraw/zinc/42/95/35/369429535.db2.gz FSPVTCBFALCGKE-ZDUSSCGKSA-N 1 0 209.377 3.711 20 30 BHEDRO CCCCC[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000303661218 369430900 /nfs/dbraw/zinc/43/09/00/369430900.db2.gz DKALVVKTMSPMDM-UHFFFAOYSA-N 1 0 244.382 3.960 20 30 BHEDRO C=CC[N@@H+](CCCCC)Cc1ccc(OC)cc1 ZINC000303664533 369430548 /nfs/dbraw/zinc/43/05/48/369430548.db2.gz DZPRSZJZTNASBD-UHFFFAOYSA-N 1 0 247.382 3.873 20 30 BHEDRO C=C(C)C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000303689349 369431779 /nfs/dbraw/zinc/43/17/79/369431779.db2.gz LOCLJCKSEHVFKD-DZGCQCFKSA-N 1 0 247.407 3.741 20 30 BHEDRO C=C(C)C[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000303689351 369431761 /nfs/dbraw/zinc/43/17/61/369431761.db2.gz LOCLJCKSEHVFKD-HIFRSBDPSA-N 1 0 247.407 3.741 20 30 BHEDRO C=C(C)C[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000303689526 369432000 /nfs/dbraw/zinc/43/20/00/369432000.db2.gz LOCLJCKSEHVFKD-UKRRQHHQSA-N 1 0 247.407 3.741 20 30 BHEDRO C=C(C)C[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000303689527 369432111 /nfs/dbraw/zinc/43/21/11/369432111.db2.gz LOCLJCKSEHVFKD-ZFWWWQNUSA-N 1 0 247.407 3.741 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000303697644 491099695 /nfs/dbraw/zinc/09/96/95/491099695.db2.gz ALVOHXXIGDRJCM-GFCCVEGCSA-N 1 0 237.774 3.779 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000303697645 491099650 /nfs/dbraw/zinc/09/96/50/491099650.db2.gz ALVOHXXIGDRJCM-LBPRGKRZSA-N 1 0 237.774 3.779 20 30 BHEDRO C=C(C)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000303699660 388859049 /nfs/dbraw/zinc/85/90/49/388859049.db2.gz WZONCOJKZKBHGN-HNNXBMFYSA-N 1 0 247.407 3.661 20 30 BHEDRO C=C(C)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000303699663 388859823 /nfs/dbraw/zinc/85/98/23/388859823.db2.gz WZONCOJKZKBHGN-OAHLLOKOSA-N 1 0 247.407 3.661 20 30 BHEDRO CCCCCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000303704683 644839067 /nfs/dbraw/zinc/83/90/67/644839067.db2.gz KIXUUBXSHADTJA-UHFFFAOYSA-N 1 0 247.386 3.610 20 30 BHEDRO CCCCNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000303707468 644838180 /nfs/dbraw/zinc/83/81/80/644838180.db2.gz MLDVASPUPYZFKN-GFCCVEGCSA-N 1 0 247.386 3.727 20 30 BHEDRO CCCCNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000303707469 644838928 /nfs/dbraw/zinc/83/89/28/644838928.db2.gz MLDVASPUPYZFKN-LBPRGKRZSA-N 1 0 247.386 3.727 20 30 BHEDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000303717624 387227423 /nfs/dbraw/zinc/22/74/23/387227423.db2.gz VOLNSCRZSXXSOH-INIZCTEOSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000303717625 398293609 /nfs/dbraw/zinc/29/36/09/398293609.db2.gz VOLNSCRZSXXSOH-MRXNPFEDSA-N 1 0 242.366 3.569 20 30 BHEDRO CCCCCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303720520 644842111 /nfs/dbraw/zinc/84/21/11/644842111.db2.gz WQEBFCLPLZDRMW-UHFFFAOYSA-N 1 0 247.386 3.727 20 30 BHEDRO CCCCCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000303721123 644841780 /nfs/dbraw/zinc/84/17/80/644841780.db2.gz XDGLWLGHBGSYLJ-UHFFFAOYSA-N 1 0 247.386 3.610 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1c(C)cccc1C ZINC000303743729 323160105 /nfs/dbraw/zinc/16/01/05/323160105.db2.gz JEMIROCIQQTBMR-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=CC[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000303758889 388860523 /nfs/dbraw/zinc/86/05/23/388860523.db2.gz NVHKJZZGLZAQSE-CYBMUJFWSA-N 1 0 219.328 3.691 20 30 BHEDRO C=CC[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000303758890 388861069 /nfs/dbraw/zinc/86/10/69/388861069.db2.gz NVHKJZZGLZAQSE-ZDUSSCGKSA-N 1 0 219.328 3.691 20 30 BHEDRO CC(C)C[N@@H+](CCC#N)CCCC(C)(C)C ZINC000303794412 644848065 /nfs/dbraw/zinc/84/80/65/644848065.db2.gz LRJMWUGHEKCBPT-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=C(C)C[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000303805301 369437287 /nfs/dbraw/zinc/43/72/87/369437287.db2.gz XTDVIUBRCIZCAU-CABCVRRESA-N 1 0 229.367 3.749 20 30 BHEDRO C=C(C)C[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000303805302 369437578 /nfs/dbraw/zinc/43/75/78/369437578.db2.gz XTDVIUBRCIZCAU-GJZGRUSLSA-N 1 0 229.367 3.749 20 30 BHEDRO C=C(C)C[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000303805304 369437309 /nfs/dbraw/zinc/43/73/09/369437309.db2.gz XTDVIUBRCIZCAU-HUUCEWRRSA-N 1 0 229.367 3.749 20 30 BHEDRO C=C(C)C[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000303805306 369437613 /nfs/dbraw/zinc/43/76/13/369437613.db2.gz XTDVIUBRCIZCAU-LSDHHAIUSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CC[NH+](CC=C)CCCc1ccc(Cl)cc1 ZINC000303824283 369438630 /nfs/dbraw/zinc/43/86/30/369438630.db2.gz KOEPRPXOJOGNTJ-UHFFFAOYSA-N 1 0 249.785 3.947 20 30 BHEDRO C=CC[N@@H+](CCSCC)CC1CCCCC1 ZINC000303852673 323160931 /nfs/dbraw/zinc/16/09/31/323160931.db2.gz DYTNIOAJIWXEBH-UHFFFAOYSA-N 1 0 241.444 3.808 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000303854939 644851258 /nfs/dbraw/zinc/85/12/58/644851258.db2.gz VPYFRFFBLKWQAN-CYBMUJFWSA-N 1 0 237.774 3.610 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000303854942 644850604 /nfs/dbraw/zinc/85/06/04/644850604.db2.gz VPYFRFFBLKWQAN-ZDUSSCGKSA-N 1 0 237.774 3.610 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCc1cccc(OC)c1 ZINC000303894038 323161336 /nfs/dbraw/zinc/16/13/36/323161336.db2.gz KPIDFNJELNQHBZ-UHFFFAOYSA-N 1 0 247.382 3.526 20 30 BHEDRO C=C(C)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000303905142 369441850 /nfs/dbraw/zinc/44/18/50/369441850.db2.gz TVFBMUXOTKEKPU-GXTWGEPZSA-N 1 0 233.330 3.580 20 30 BHEDRO C=C(C)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000303905146 369441401 /nfs/dbraw/zinc/44/14/01/369441401.db2.gz TVFBMUXOTKEKPU-JSGCOSHPSA-N 1 0 233.330 3.580 20 30 BHEDRO C=C(C)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000303905150 369441812 /nfs/dbraw/zinc/44/18/12/369441812.db2.gz TVFBMUXOTKEKPU-OCCSQVGLSA-N 1 0 233.330 3.580 20 30 BHEDRO C=C(C)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000303905153 369440820 /nfs/dbraw/zinc/44/08/20/369440820.db2.gz TVFBMUXOTKEKPU-TZMCWYRMSA-N 1 0 233.330 3.580 20 30 BHEDRO C[N@H+](CCC1CCCC1)Cc1ccc(C#N)cc1 ZINC000303922159 323162058 /nfs/dbraw/zinc/16/20/58/323162058.db2.gz OVUVQJWVCPXLCJ-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000303923634 644858024 /nfs/dbraw/zinc/85/80/24/644858024.db2.gz PEVNPHAYSRRKTA-AWEZNQCLSA-N 1 0 237.774 3.692 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@H](CC)Cc1ccccc1 ZINC000303923637 644858378 /nfs/dbraw/zinc/85/83/78/644858378.db2.gz PEVNPHAYSRRKTA-CQSZACIVSA-N 1 0 237.774 3.692 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000303958514 369446657 /nfs/dbraw/zinc/44/66/57/369446657.db2.gz YKVDYJURSDCUHG-HNNXBMFYSA-N 1 0 217.356 3.516 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](CC)Cc1ccccc1 ZINC000303958515 369446580 /nfs/dbraw/zinc/44/65/80/369446580.db2.gz YKVDYJURSDCUHG-OAHLLOKOSA-N 1 0 217.356 3.516 20 30 BHEDRO C[N@H+](CCC1CCCC1)Cc1cccc(C#N)c1 ZINC000303961965 529876879 /nfs/dbraw/zinc/87/68/79/529876879.db2.gz ZXGZXGXVSWNBPW-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000303985632 134235792 /nfs/dbraw/zinc/23/57/92/134235792.db2.gz HYCIXRPIELICIF-AWEZNQCLSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1cccc(F)c1 ZINC000303985633 534736103 /nfs/dbraw/zinc/73/61/03/534736103.db2.gz HYCIXRPIELICIF-CQSZACIVSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCCNc1cc[nH+]c2ccccc12 ZINC000303985646 534738252 /nfs/dbraw/zinc/73/82/52/534738252.db2.gz IDIMJDLMJVMARV-UHFFFAOYSA-N 1 0 212.296 3.613 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000303985658 527235328 /nfs/dbraw/zinc/23/53/28/527235328.db2.gz IFFHVNIDYDOYHT-AWEZNQCLSA-N 1 0 235.758 3.883 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000303985659 527235817 /nfs/dbraw/zinc/23/58/17/527235817.db2.gz IFFHVNIDYDOYHT-CQSZACIVSA-N 1 0 235.758 3.883 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000303986234 134235842 /nfs/dbraw/zinc/23/58/42/134235842.db2.gz IYHHCOXLACPCHL-CYBMUJFWSA-N 1 0 233.380 3.779 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000303986236 534735257 /nfs/dbraw/zinc/73/52/57/534735257.db2.gz IYHHCOXLACPCHL-ZDUSSCGKSA-N 1 0 233.380 3.779 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000303987568 527235429 /nfs/dbraw/zinc/23/54/29/527235429.db2.gz LALQTHMFHSXSOJ-HNNXBMFYSA-N 1 0 215.340 3.538 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000303987571 527236038 /nfs/dbraw/zinc/23/60/38/527236038.db2.gz LALQTHMFHSXSOJ-OAHLLOKOSA-N 1 0 215.340 3.538 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)Cc1ccccc1 ZINC000303987658 527234787 /nfs/dbraw/zinc/23/47/87/527234787.db2.gz LSVYBZRWDFQRTA-HNNXBMFYSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)Cc1ccccc1 ZINC000303987660 527235166 /nfs/dbraw/zinc/23/51/66/527235166.db2.gz LSVYBZRWDFQRTA-OAHLLOKOSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000303987667 527235702 /nfs/dbraw/zinc/23/57/02/527235702.db2.gz LVKIQVFSALHNGN-GFCCVEGCSA-N 1 0 237.774 3.827 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000303987668 527233813 /nfs/dbraw/zinc/23/38/13/527233813.db2.gz LVKIQVFSALHNGN-LBPRGKRZSA-N 1 0 237.774 3.827 20 30 BHEDRO C=CCCC[NH2+]Cc1csc2ccccc12 ZINC000303988723 527234819 /nfs/dbraw/zinc/23/48/19/527234819.db2.gz OYPPNCBJRCRYCM-UHFFFAOYSA-N 1 0 231.364 3.957 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000303990329 527233428 /nfs/dbraw/zinc/23/34/28/527233428.db2.gz UIQIUISQMCDLSD-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000303990330 527235190 /nfs/dbraw/zinc/23/51/90/527235190.db2.gz UIQIUISQMCDLSD-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+]Cc1ccccc1C1CC1 ZINC000303990784 490200961 /nfs/dbraw/zinc/20/09/61/490200961.db2.gz VDIJHYANELXVED-UHFFFAOYSA-N 1 0 215.340 3.620 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000303990840 527236013 /nfs/dbraw/zinc/23/60/13/527236013.db2.gz VYUHVIXQWRBURK-GHMZBOCLSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000303990841 527235740 /nfs/dbraw/zinc/23/57/40/527235740.db2.gz VYUHVIXQWRBURK-MNOVXSKESA-N 1 0 235.293 3.663 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000303990842 527235873 /nfs/dbraw/zinc/23/58/73/527235873.db2.gz VYUHVIXQWRBURK-QWRGUYRKSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000303990843 527235788 /nfs/dbraw/zinc/23/57/88/527235788.db2.gz VYUHVIXQWRBURK-WDEREUQCSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccccc1F ZINC000303991193 134159550 /nfs/dbraw/zinc/15/95/50/134159550.db2.gz WWLUCXAGPPSCHB-AWEZNQCLSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccccc1F ZINC000303991194 534735721 /nfs/dbraw/zinc/73/57/21/534735721.db2.gz WWLUCXAGPPSCHB-CQSZACIVSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000303991243 527232419 /nfs/dbraw/zinc/23/24/19/527232419.db2.gz XXWFMEMFUSEDRP-UHFFFAOYSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000303991927 134236105 /nfs/dbraw/zinc/23/61/05/134236105.db2.gz ZXZMDFAFZZPQTL-AWEZNQCLSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000303991929 534736172 /nfs/dbraw/zinc/73/61/72/534736172.db2.gz ZXZMDFAFZZPQTL-CQSZACIVSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000304060586 323163261 /nfs/dbraw/zinc/16/32/61/323163261.db2.gz SMFQJUFBFQAUIF-UHFFFAOYSA-N 1 0 225.282 3.680 20 30 BHEDRO CC(C)C[C@H](C)C[N@H+](CCC#N)CC(C)C ZINC000304165980 635936587 /nfs/dbraw/zinc/93/65/87/635936587.db2.gz JIIWAMUDMDJAQD-AWEZNQCLSA-N 1 0 224.392 3.540 20 30 BHEDRO CC(C)C[C@@H](C)C[N@H+](CCC#N)CC(C)C ZINC000304165982 635936471 /nfs/dbraw/zinc/93/64/71/635936471.db2.gz JIIWAMUDMDJAQD-CQSZACIVSA-N 1 0 224.392 3.540 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304340959 644893408 /nfs/dbraw/zinc/89/34/08/644893408.db2.gz OUUCNZPKNJBNDC-HNNXBMFYSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304340961 641145683 /nfs/dbraw/zinc/14/56/83/641145683.db2.gz OUUCNZPKNJBNDC-OAHLLOKOSA-N 1 0 221.388 3.594 20 30 BHEDRO C=CCSCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304385151 527005193 /nfs/dbraw/zinc/00/51/93/527005193.db2.gz XIMNFAXYFJOECS-AWEZNQCLSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CCSCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304385152 527006565 /nfs/dbraw/zinc/00/65/65/527006565.db2.gz XIMNFAXYFJOECS-CQSZACIVSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CCOCC[NH2+][C@@H](CCCC)c1ccccc1 ZINC000305502870 490462611 /nfs/dbraw/zinc/46/26/11/490462611.db2.gz BHRJWGHCBSMOKA-INIZCTEOSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCOCC[NH2+][C@H](CCCC)c1ccccc1 ZINC000305502873 490461666 /nfs/dbraw/zinc/46/16/66/490461666.db2.gz BHRJWGHCBSMOKA-MRXNPFEDSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000305763030 325932513 /nfs/dbraw/zinc/93/25/13/325932513.db2.gz DFWXHYSNWBGFHY-KBPBESRZSA-N 1 0 247.382 3.574 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000305763031 325932511 /nfs/dbraw/zinc/93/25/11/325932511.db2.gz DFWXHYSNWBGFHY-KGLIPLIRSA-N 1 0 247.382 3.574 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000305763032 388956503 /nfs/dbraw/zinc/95/65/03/388956503.db2.gz DFWXHYSNWBGFHY-UONOGXRCSA-N 1 0 247.382 3.574 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000305763033 388956670 /nfs/dbraw/zinc/95/66/70/388956670.db2.gz DFWXHYSNWBGFHY-ZIAGYGMSSA-N 1 0 247.382 3.574 20 30 BHEDRO C=CCCC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000305880882 256520411 /nfs/dbraw/zinc/52/04/11/256520411.db2.gz AIFCQDJCLBQDIZ-UHFFFAOYSA-N 1 0 229.367 3.797 20 30 BHEDRO C=CCCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000305889226 534732554 /nfs/dbraw/zinc/73/25/54/534732554.db2.gz PLVWRPZFMSFVER-UHFFFAOYSA-N 1 0 229.323 3.797 20 30 BHEDRO C=CCCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000305889544 527232935 /nfs/dbraw/zinc/23/29/35/527232935.db2.gz QTASGJUNGWXYLZ-UHFFFAOYSA-N 1 0 233.330 3.628 20 30 BHEDRO C=CCCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000305889685 527233542 /nfs/dbraw/zinc/23/35/42/527233542.db2.gz RGRZKJWVYCTZKD-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1)C(C)C ZINC000305966484 642715315 /nfs/dbraw/zinc/71/53/15/642715315.db2.gz PGHULCMYXOZJPB-CABCVRRESA-N 1 0 233.330 3.524 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1)C(C)C ZINC000305966486 642715125 /nfs/dbraw/zinc/71/51/25/642715125.db2.gz PGHULCMYXOZJPB-GJZGRUSLSA-N 1 0 233.330 3.524 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1)C(C)C ZINC000305966488 642714840 /nfs/dbraw/zinc/71/48/40/642714840.db2.gz PGHULCMYXOZJPB-HUUCEWRRSA-N 1 0 233.330 3.524 20 30 BHEDRO C#C[C@H]([NH2+][C@H](CC)c1ccc(F)cc1)C(C)C ZINC000305966490 642715199 /nfs/dbraw/zinc/71/51/99/642715199.db2.gz PGHULCMYXOZJPB-LSDHHAIUSA-N 1 0 233.330 3.524 20 30 BHEDRO C=C(Br)C[N@H+]1CCCCC[C@H]1CC ZINC000306877327 642351197 /nfs/dbraw/zinc/35/11/97/642351197.db2.gz CFMCDPZJMXNWIM-LLVKDONJSA-N 1 0 246.192 3.550 20 30 BHEDRO C=C(Br)C[N@H+]1CCCCC[C@@H]1CC ZINC000306877329 643267544 /nfs/dbraw/zinc/26/75/44/643267544.db2.gz CFMCDPZJMXNWIM-NSHDSACASA-N 1 0 246.192 3.550 20 30 BHEDRO C#CCCC[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000307004676 351417866 /nfs/dbraw/zinc/41/78/66/351417866.db2.gz DUOOBEDUHMGDAY-HNNXBMFYSA-N 1 0 229.367 3.701 20 30 BHEDRO C#CCCC[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000307004679 351418355 /nfs/dbraw/zinc/41/83/55/351418355.db2.gz DUOOBEDUHMGDAY-OAHLLOKOSA-N 1 0 229.367 3.701 20 30 BHEDRO CC(C)(C)C[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000307769578 526272560 /nfs/dbraw/zinc/27/25/60/526272560.db2.gz DTGJWQIRRNXFCF-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)(C)C[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000307769580 527699863 /nfs/dbraw/zinc/69/98/63/527699863.db2.gz DTGJWQIRRNXFCF-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO C=C(Cl)C[N@@H+](CCCCC)C(C)C ZINC000308233312 642521211 /nfs/dbraw/zinc/52/12/11/642521211.db2.gz PUHUIUFIUGJRAT-UHFFFAOYSA-N 1 0 203.757 3.640 20 30 BHEDRO C=C(Br)C[N@@H+](C(CC)CC)C1CC1 ZINC000308246858 642513477 /nfs/dbraw/zinc/51/34/77/642513477.db2.gz WQYCMACTBWRWGL-UHFFFAOYSA-N 1 0 246.192 3.548 20 30 BHEDRO C=C(C)C[NH2+]Cc1csc(Cl)c1Cl ZINC000308255606 388434036 /nfs/dbraw/zinc/43/40/36/388434036.db2.gz IYGOTPHTGDRFJZ-UHFFFAOYSA-N 1 0 236.167 3.721 20 30 BHEDRO C=C(Br)C[N@H+]1CCCC[C@H]1CCC ZINC000308258459 631230104 /nfs/dbraw/zinc/23/01/04/631230104.db2.gz LDTZJNNHKVBAQN-LLVKDONJSA-N 1 0 246.192 3.550 20 30 BHEDRO C=C(Br)C[N@H+]1CCCC[C@@H]1CCC ZINC000308258461 631229964 /nfs/dbraw/zinc/22/99/64/631229964.db2.gz LDTZJNNHKVBAQN-NSHDSACASA-N 1 0 246.192 3.550 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)CCCC ZINC000308366656 631304737 /nfs/dbraw/zinc/30/47/37/631304737.db2.gz OHMNYHCBTVOXAF-GXSJLCMTSA-N 1 0 203.757 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H](C)CCCC ZINC000308366658 631305172 /nfs/dbraw/zinc/30/51/72/631305172.db2.gz OHMNYHCBTVOXAF-KOLCDFICSA-N 1 0 203.757 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)[C@H](C)CCCC ZINC000308366659 631304527 /nfs/dbraw/zinc/30/45/27/631304527.db2.gz OHMNYHCBTVOXAF-MWLCHTKSSA-N 1 0 203.757 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000308366661 631304479 /nfs/dbraw/zinc/30/44/79/631304479.db2.gz OHMNYHCBTVOXAF-ONGXEEELSA-N 1 0 203.757 3.543 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc(Cl)cs1 ZINC000308450196 388439802 /nfs/dbraw/zinc/43/98/02/388439802.db2.gz BDWRGICREBOWDO-UHFFFAOYSA-N 1 0 229.776 3.847 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(C)s1 ZINC000308466336 388440382 /nfs/dbraw/zinc/44/03/82/388440382.db2.gz HGIOATOOQPQKOS-UHFFFAOYSA-N 1 0 209.358 3.502 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CCC)c1ccsc1 ZINC000308499068 135073614 /nfs/dbraw/zinc/07/36/14/135073614.db2.gz FOJYLTBFOMHXHL-CMPLNLGQSA-N 1 0 209.358 3.753 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CCC)c1ccsc1 ZINC000308499069 534668565 /nfs/dbraw/zinc/66/85/65/534668565.db2.gz FOJYLTBFOMHXHL-JQWIXIFHSA-N 1 0 209.358 3.753 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CCC)c1ccsc1 ZINC000308499070 534511897 /nfs/dbraw/zinc/51/18/97/534511897.db2.gz FOJYLTBFOMHXHL-PWSUYJOCSA-N 1 0 209.358 3.753 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CCC)c1ccsc1 ZINC000308499071 534511182 /nfs/dbraw/zinc/51/11/82/534511182.db2.gz FOJYLTBFOMHXHL-ZYHUDNBSSA-N 1 0 209.358 3.753 20 30 BHEDRO C=CCCCC[NH2+]Cc1sccc1C ZINC000308512214 527170229 /nfs/dbraw/zinc/17/02/29/527170229.db2.gz SQYWCBYWQDQVTR-UHFFFAOYSA-N 1 0 209.358 3.502 20 30 BHEDRO C=CCCCC[NH2+]Cc1sccc1Cl ZINC000308512674 388441175 /nfs/dbraw/zinc/44/11/75/388441175.db2.gz STTHVZKOJRDLIS-UHFFFAOYSA-N 1 0 229.776 3.847 20 30 BHEDRO C=CCCCC[NH2+]Cc1csc(C)c1 ZINC000308516868 534693026 /nfs/dbraw/zinc/69/30/26/534693026.db2.gz VJCCWAQPZZJSRD-UHFFFAOYSA-N 1 0 209.358 3.502 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)c1cccs1 ZINC000308539303 526453891 /nfs/dbraw/zinc/45/38/91/526453891.db2.gz UDROCNAZMIVTAM-UHFFFAOYSA-N 1 0 209.358 3.539 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)c1cccs1 ZINC000308582524 526858773 /nfs/dbraw/zinc/85/87/73/526858773.db2.gz HDZSPMFKZFNQRG-UHFFFAOYSA-N 1 0 209.358 3.539 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)s1 ZINC000308590877 135079573 /nfs/dbraw/zinc/07/95/73/135079573.db2.gz KHFPOBMQPKAYPG-LLVKDONJSA-N 1 0 209.358 3.501 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)s1 ZINC000308590878 135079723 /nfs/dbraw/zinc/07/97/23/135079723.db2.gz KHFPOBMQPKAYPG-NSHDSACASA-N 1 0 209.358 3.501 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(Cl)cs1 ZINC000308609897 388445254 /nfs/dbraw/zinc/44/52/54/388445254.db2.gz QJEDCKGKBZGDDH-JTQLQIEISA-N 1 0 229.776 3.846 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(Cl)cs1 ZINC000308609898 527053238 /nfs/dbraw/zinc/05/32/38/527053238.db2.gz QJEDCKGKBZGDDH-SNVBAGLBSA-N 1 0 229.776 3.846 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1sccc1Cl ZINC000308615579 527053694 /nfs/dbraw/zinc/05/36/94/527053694.db2.gz RSIAHXLNLYXJRX-SECBINFHSA-N 1 0 229.776 3.846 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1sccc1Cl ZINC000308615581 527163428 /nfs/dbraw/zinc/16/34/28/527163428.db2.gz RSIAHXLNLYXJRX-VIFPVBQESA-N 1 0 229.776 3.846 20 30 BHEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCCC(C)(C)C#N ZINC000308697364 229442717 /nfs/dbraw/zinc/44/27/17/229442717.db2.gz GRCAUDFVWRJUEG-DZGCQCFKSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCCC(C)(C)C#N ZINC000308697382 533633729 /nfs/dbraw/zinc/63/37/29/533633729.db2.gz GRCAUDFVWRJUEG-HIFRSBDPSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCC(C)(C)C#N ZINC000308697797 229240260 /nfs/dbraw/zinc/24/02/60/229240260.db2.gz GRCAUDFVWRJUEG-UKRRQHHQSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCCC(C)(C)C#N ZINC000308697798 229239771 /nfs/dbraw/zinc/23/97/71/229239771.db2.gz GRCAUDFVWRJUEG-ZFWWWQNUSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)s1 ZINC000308714176 229244556 /nfs/dbraw/zinc/24/45/56/229244556.db2.gz NCKNWFBPPRAKOF-BXUZGUMPSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)s1 ZINC000308714178 229244415 /nfs/dbraw/zinc/24/44/15/229244415.db2.gz NCKNWFBPPRAKOF-FZMZJTMJSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)s1 ZINC000308714179 533634603 /nfs/dbraw/zinc/63/46/03/533634603.db2.gz NCKNWFBPPRAKOF-RISCZKNCSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)s1 ZINC000308714180 229244299 /nfs/dbraw/zinc/24/42/99/229244299.db2.gz NCKNWFBPPRAKOF-SMDDNHRTSA-N 1 0 248.395 3.678 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CCC)c1ccsc1 ZINC000308715228 631531181 /nfs/dbraw/zinc/53/11/81/631531181.db2.gz AWSVOEMZCGLMEV-LLVKDONJSA-N 1 0 229.776 3.931 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CCC)c1ccsc1 ZINC000308715229 631532534 /nfs/dbraw/zinc/53/25/34/631532534.db2.gz AWSVOEMZCGLMEV-NSHDSACASA-N 1 0 229.776 3.931 20 30 BHEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(C#N)cs1 ZINC000308722956 259513877 /nfs/dbraw/zinc/51/38/77/259513877.db2.gz QXGKCCYASDAVRN-BXUZGUMPSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(C#N)cs1 ZINC000308722957 259514092 /nfs/dbraw/zinc/51/40/92/259514092.db2.gz QXGKCCYASDAVRN-FZMZJTMJSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(C#N)cs1 ZINC000308722958 385624116 /nfs/dbraw/zinc/62/41/16/385624116.db2.gz QXGKCCYASDAVRN-RISCZKNCSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(C#N)cs1 ZINC000308722959 385624209 /nfs/dbraw/zinc/62/42/09/385624209.db2.gz QXGKCCYASDAVRN-SMDDNHRTSA-N 1 0 248.395 3.678 20 30 BHEDRO C=CCCCC[NH2+]Cc1cscc1Cl ZINC000308725320 491137815 /nfs/dbraw/zinc/13/78/15/491137815.db2.gz GGVGUQFQFMCWHJ-UHFFFAOYSA-N 1 0 229.776 3.847 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000308738707 631359091 /nfs/dbraw/zinc/35/90/91/631359091.db2.gz NCSFAPQNEUOKDQ-ADEWGFFLSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000308738709 631557327 /nfs/dbraw/zinc/55/73/27/631557327.db2.gz NCSFAPQNEUOKDQ-MVWJERBFSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000308738710 631557064 /nfs/dbraw/zinc/55/70/64/631557064.db2.gz NCSFAPQNEUOKDQ-YUSALJHKSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000308738712 631558586 /nfs/dbraw/zinc/55/85/86/631558586.db2.gz NCSFAPQNEUOKDQ-ZMLRMANQSA-N 1 0 215.768 3.543 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)CF ZINC000308738741 631556823 /nfs/dbraw/zinc/55/68/23/631556823.db2.gz NEISECJGSVESHU-NEPJUHHUSA-N 1 0 203.345 3.683 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)CF ZINC000308738743 631558886 /nfs/dbraw/zinc/55/88/86/631558886.db2.gz NEISECJGSVESHU-RYUDHWBXSA-N 1 0 203.345 3.683 20 30 BHEDRO CC(C)(C#N)CCC[NH+]1CCC2(CCC2)CC1 ZINC000308741372 534980694 /nfs/dbraw/zinc/98/06/94/534980694.db2.gz DCECPMYZCDDSGV-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1CCC2(CCC2)CC1 ZINC000308741653 534981338 /nfs/dbraw/zinc/98/13/38/534981338.db2.gz FSEYTIFSDISRCG-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ccsc1 ZINC000308776148 631641505 /nfs/dbraw/zinc/64/15/05/631641505.db2.gz AKINOUWXVMCEGG-UHFFFAOYSA-N 1 0 223.385 3.974 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cccs1 ZINC000308776473 631642294 /nfs/dbraw/zinc/64/22/94/631642294.db2.gz AOJFEXVSRSQSLV-UHFFFAOYSA-N 1 0 223.385 3.974 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000308780928 527234117 /nfs/dbraw/zinc/23/41/17/527234117.db2.gz PXLKZGMMDCPBQR-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=CCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000308784283 527233048 /nfs/dbraw/zinc/23/30/48/527233048.db2.gz AKAWMQBPEQICPJ-UHFFFAOYSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CC)c1cccc(C)c1 ZINC000308785152 136216432 /nfs/dbraw/zinc/21/64/32/136216432.db2.gz AQRVIMLSXIQXTG-GXTWGEPZSA-N 1 0 203.329 3.610 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000308785153 534669583 /nfs/dbraw/zinc/66/95/83/534669583.db2.gz AQRVIMLSXIQXTG-JSGCOSHPSA-N 1 0 203.329 3.610 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000308785154 534512699 /nfs/dbraw/zinc/51/26/99/534512699.db2.gz AQRVIMLSXIQXTG-OCCSQVGLSA-N 1 0 203.329 3.610 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1cccc(C)c1 ZINC000308785155 534512877 /nfs/dbraw/zinc/51/28/77/534512877.db2.gz AQRVIMLSXIQXTG-TZMCWYRMSA-N 1 0 203.329 3.610 20 30 BHEDRO C=CCCCCCC[NH2+]C1CCSCC1 ZINC000308786780 631646367 /nfs/dbraw/zinc/64/63/67/631646367.db2.gz FXRCDKAMWIDIFB-UHFFFAOYSA-N 1 0 227.417 3.608 20 30 BHEDRO C=CCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000308788314 527234654 /nfs/dbraw/zinc/23/46/54/527234654.db2.gz HGOCZNCDFSAYCN-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000308791762 534887297 /nfs/dbraw/zinc/88/72/97/534887297.db2.gz DCAOAKHBELQRQB-LLVKDONJSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000308791764 534349252 /nfs/dbraw/zinc/34/92/52/534349252.db2.gz DCAOAKHBELQRQB-NSHDSACASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ccoc1 ZINC000308800483 631667199 /nfs/dbraw/zinc/66/71/99/631667199.db2.gz KRNMRCSONZPHLT-UHFFFAOYSA-N 1 0 207.317 3.506 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000308811464 631300644 /nfs/dbraw/zinc/30/06/44/631300644.db2.gz QLKIPBOGYJHCBA-UHFFFAOYSA-N 1 0 223.747 3.704 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000308815131 527296697 /nfs/dbraw/zinc/29/66/97/527296697.db2.gz AKZSQPYEEHWWHC-KBPBESRZSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000308815138 259367697 /nfs/dbraw/zinc/36/76/97/259367697.db2.gz AKZSQPYEEHWWHC-KGLIPLIRSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000308815141 527296684 /nfs/dbraw/zinc/29/66/84/527296684.db2.gz AKZSQPYEEHWWHC-UONOGXRCSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000308815146 527271169 /nfs/dbraw/zinc/27/11/69/527271169.db2.gz AKZSQPYEEHWWHC-ZIAGYGMSSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000308817847 384389527 /nfs/dbraw/zinc/38/95/27/384389527.db2.gz BBADOBXGESFWAJ-VIFPVBQESA-N 1 0 244.791 3.631 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000308818856 527141916 /nfs/dbraw/zinc/14/19/16/527141916.db2.gz BIGVGKSNEMLFDQ-AVGNSLFASA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000308818857 527140308 /nfs/dbraw/zinc/14/03/08/527140308.db2.gz BIGVGKSNEMLFDQ-RWMBFGLXSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000308818858 527141548 /nfs/dbraw/zinc/14/15/48/527141548.db2.gz BIGVGKSNEMLFDQ-XQQFMLRXSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000308818859 527140790 /nfs/dbraw/zinc/14/07/90/527140790.db2.gz BIGVGKSNEMLFDQ-YNEHKIRRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000308821711 527272849 /nfs/dbraw/zinc/27/28/49/527272849.db2.gz CGWFROIDOYXHFP-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000308821712 487845863 /nfs/dbraw/zinc/84/58/63/487845863.db2.gz CGWFROIDOYXHFP-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000308821713 490318679 /nfs/dbraw/zinc/31/86/79/490318679.db2.gz CGWFROIDOYXHFP-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000308821714 527296595 /nfs/dbraw/zinc/29/65/95/527296595.db2.gz CGWFROIDOYXHFP-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000308822661 348760254 /nfs/dbraw/zinc/76/02/54/348760254.db2.gz CMVLYOXFJJZQLR-KBPBESRZSA-N 1 0 207.361 3.820 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000308822662 348760090 /nfs/dbraw/zinc/76/00/90/348760090.db2.gz CMVLYOXFJJZQLR-KGLIPLIRSA-N 1 0 207.361 3.820 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000308822663 346922831 /nfs/dbraw/zinc/92/28/31/346922831.db2.gz CMVLYOXFJJZQLR-UONOGXRCSA-N 1 0 207.361 3.820 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000308822664 348760147 /nfs/dbraw/zinc/76/01/47/348760147.db2.gz CMVLYOXFJJZQLR-ZIAGYGMSSA-N 1 0 207.361 3.820 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000308823074 527171710 /nfs/dbraw/zinc/17/17/10/527171710.db2.gz CRHVITCHPMPXBN-CHWSQXEVSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000308823077 527171293 /nfs/dbraw/zinc/17/12/93/527171293.db2.gz CRHVITCHPMPXBN-OLZOCXBDSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000308823081 527169200 /nfs/dbraw/zinc/16/92/00/527169200.db2.gz CRHVITCHPMPXBN-QWHCGFSZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000308823084 527171021 /nfs/dbraw/zinc/17/10/21/527171021.db2.gz CRHVITCHPMPXBN-STQMWFEESA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000308825816 527234757 /nfs/dbraw/zinc/23/47/57/527234757.db2.gz RKOYSKMRULPIHQ-JTQLQIEISA-N 1 0 223.282 3.663 20 30 BHEDRO C=CCCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000308825818 527235970 /nfs/dbraw/zinc/23/59/70/527235970.db2.gz RKOYSKMRULPIHQ-SNVBAGLBSA-N 1 0 223.282 3.663 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000308828686 527142039 /nfs/dbraw/zinc/14/20/39/527142039.db2.gz FKRKIPKPGUPZPW-RFGFWPKPSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000308828687 527140586 /nfs/dbraw/zinc/14/05/86/527140586.db2.gz FKRKIPKPGUPZPW-XDQVBPFNSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000308828688 527141368 /nfs/dbraw/zinc/14/13/68/527141368.db2.gz FKRKIPKPGUPZPW-XUXIUFHCSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000308828689 527140773 /nfs/dbraw/zinc/14/07/73/527140773.db2.gz FKRKIPKPGUPZPW-ZOBORPQBSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCCC[NH2+]Cc1c(F)cccc1Cl ZINC000308833571 527232616 /nfs/dbraw/zinc/23/26/16/527232616.db2.gz VEVHCMMOYWWDJQ-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(Cl)cc1C ZINC000308843304 527234062 /nfs/dbraw/zinc/23/40/62/527234062.db2.gz ZSOUAYWLNVDUDT-UHFFFAOYSA-N 1 0 223.747 3.704 20 30 BHEDRO C=CCCC[NH2+][C@H](C)CCc1ccsc1 ZINC000308843352 527235541 /nfs/dbraw/zinc/23/55/41/527235541.db2.gz KXPBSQZOQNYXOI-GFCCVEGCSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)CCc1ccsc1 ZINC000308843353 527234236 /nfs/dbraw/zinc/23/42/36/527234236.db2.gz KXPBSQZOQNYXOI-LBPRGKRZSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)C1(C)CC1 ZINC000308846519 631915042 /nfs/dbraw/zinc/91/50/42/631915042.db2.gz AIHAMIAGEQNEDN-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)C1(C)CC1 ZINC000308846520 631690276 /nfs/dbraw/zinc/69/02/76/631690276.db2.gz AIHAMIAGEQNEDN-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)C1(C)CC1 ZINC000308846521 631691327 /nfs/dbraw/zinc/69/13/27/631691327.db2.gz AIHAMIAGEQNEDN-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C1(C)CC1 ZINC000308846522 631691561 /nfs/dbraw/zinc/69/15/61/631691561.db2.gz AIHAMIAGEQNEDN-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000308846802 527141683 /nfs/dbraw/zinc/14/16/83/527141683.db2.gz MNDFFTVDFWBANG-AVGNSLFASA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000308846804 527142004 /nfs/dbraw/zinc/14/20/04/527142004.db2.gz MNDFFTVDFWBANG-RWMBFGLXSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000308846806 527140163 /nfs/dbraw/zinc/14/01/63/527140163.db2.gz MNDFFTVDFWBANG-XQQFMLRXSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000308846808 527140055 /nfs/dbraw/zinc/14/00/55/527140055.db2.gz MNDFFTVDFWBANG-YNEHKIRRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000308849552 323179715 /nfs/dbraw/zinc/17/97/15/323179715.db2.gz NSFKTASRBJFNBD-NEPJUHHUSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000308849553 323179718 /nfs/dbraw/zinc/17/97/18/323179718.db2.gz NSFKTASRBJFNBD-NWDGAFQWSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000308849554 323179697 /nfs/dbraw/zinc/17/96/97/323179697.db2.gz NSFKTASRBJFNBD-RYUDHWBXSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000308849555 323179696 /nfs/dbraw/zinc/17/96/96/323179696.db2.gz NSFKTASRBJFNBD-VXGBXAGGSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000308850204 534693641 /nfs/dbraw/zinc/69/36/41/534693641.db2.gz QYFOJRWOWYKKFD-GFCCVEGCSA-N 1 0 207.317 3.595 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000308850205 534694894 /nfs/dbraw/zinc/69/48/94/534694894.db2.gz QYFOJRWOWYKKFD-LBPRGKRZSA-N 1 0 207.317 3.595 20 30 BHEDRO C=CCCCCCCC[NH2+]CC1(F)CC1 ZINC000308856326 631695284 /nfs/dbraw/zinc/69/52/84/631695284.db2.gz PPSOSXDDTDUBEX-UHFFFAOYSA-N 1 0 213.340 3.605 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCC(C)C)C1CC1 ZINC000308857892 527484569 /nfs/dbraw/zinc/48/45/69/527484569.db2.gz QNOVXAWEYZBYNY-AWEZNQCLSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCC(C)C)C1CC1 ZINC000308857897 527448181 /nfs/dbraw/zinc/44/81/81/527448181.db2.gz QNOVXAWEYZBYNY-CQSZACIVSA-N 1 0 209.377 3.757 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1CSC[C@H]1C ZINC000308870574 633824480 /nfs/dbraw/zinc/82/44/80/633824480.db2.gz SCCGOEVRUDNXDR-CHWSQXEVSA-N 1 0 229.433 3.688 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CSC[C@H]1C ZINC000308870578 632027992 /nfs/dbraw/zinc/02/79/92/632027992.db2.gz SCCGOEVRUDNXDR-OLZOCXBDSA-N 1 0 229.433 3.688 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000308870582 632028222 /nfs/dbraw/zinc/02/82/22/632028222.db2.gz SCCGOEVRUDNXDR-QWHCGFSZSA-N 1 0 229.433 3.688 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CSC[C@@H]1C ZINC000308870585 632028161 /nfs/dbraw/zinc/02/81/61/632028161.db2.gz SCCGOEVRUDNXDR-STQMWFEESA-N 1 0 229.433 3.688 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000308874259 487571247 /nfs/dbraw/zinc/57/12/47/487571247.db2.gz NONJLCAHOVETSQ-AWEZNQCLSA-N 1 0 203.329 3.612 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000308874260 487571283 /nfs/dbraw/zinc/57/12/83/487571283.db2.gz NONJLCAHOVETSQ-CQSZACIVSA-N 1 0 203.329 3.612 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000308876121 632056538 /nfs/dbraw/zinc/05/65/38/632056538.db2.gz BNHXQGBMTBGVOC-GFCCVEGCSA-N 1 0 227.779 3.832 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000308876510 491139366 /nfs/dbraw/zinc/13/93/66/491139366.db2.gz SJGATCXCOKRCFL-FPMFFAJLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000308876514 491139384 /nfs/dbraw/zinc/13/93/84/491139384.db2.gz SJGATCXCOKRCFL-IACUBPJLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000308876518 491139417 /nfs/dbraw/zinc/13/94/17/491139417.db2.gz SJGATCXCOKRCFL-UBHSHLNASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000308876521 491139392 /nfs/dbraw/zinc/13/93/92/491139392.db2.gz SJGATCXCOKRCFL-YUTCNCBUSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000308882297 527327497 /nfs/dbraw/zinc/32/74/97/527327497.db2.gz DJRMUJIXDYBKRW-CYBMUJFWSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000308882300 527327831 /nfs/dbraw/zinc/32/78/31/527327831.db2.gz DJRMUJIXDYBKRW-ZDUSSCGKSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000308884858 527327805 /nfs/dbraw/zinc/32/78/05/527327805.db2.gz VLOGZEQOQMAKHQ-UHFFFAOYSA-N 1 0 223.747 3.741 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000308888039 527169268 /nfs/dbraw/zinc/16/92/68/527169268.db2.gz WLIUTYPBCZHKRL-JTQLQIEISA-N 1 0 223.282 3.663 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)CCC(F)(F)F ZINC000308888040 398251351 /nfs/dbraw/zinc/25/13/51/398251351.db2.gz WLIUTYPBCZHKRL-SNVBAGLBSA-N 1 0 223.282 3.663 20 30 BHEDRO C=CCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000308889530 527327730 /nfs/dbraw/zinc/32/77/30/527327730.db2.gz XACIPOGXVMBNTF-UHFFFAOYSA-N 1 0 223.747 3.741 20 30 BHEDRO C=CCCC[NH2+]C1(C(F)F)CCCCC1 ZINC000308890079 527233112 /nfs/dbraw/zinc/23/31/12/527233112.db2.gz WCHFYICRKVQMPP-UHFFFAOYSA-N 1 0 217.303 3.510 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000308896897 384386666 /nfs/dbraw/zinc/38/66/66/384386666.db2.gz ZUIKNQOQVMVYKF-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000308896898 527272941 /nfs/dbraw/zinc/27/29/41/527272941.db2.gz ZUIKNQOQVMVYKF-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000308896900 527296530 /nfs/dbraw/zinc/29/65/30/527296530.db2.gz ZUIKNQOQVMVYKF-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000308896902 527296209 /nfs/dbraw/zinc/29/62/09/527296209.db2.gz ZUIKNQOQVMVYKF-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000308897175 385250925 /nfs/dbraw/zinc/25/09/25/385250925.db2.gz ZUUGEGSRSDXJDO-CHWSQXEVSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000308897178 385250300 /nfs/dbraw/zinc/25/03/00/385250300.db2.gz ZUUGEGSRSDXJDO-OLZOCXBDSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000308897180 534761058 /nfs/dbraw/zinc/76/10/58/534761058.db2.gz ZUUGEGSRSDXJDO-QWHCGFSZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000308897182 385250813 /nfs/dbraw/zinc/25/08/13/385250813.db2.gz ZUUGEGSRSDXJDO-STQMWFEESA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000308897278 487574494 /nfs/dbraw/zinc/57/44/94/487574494.db2.gz ZXXODTUWUWYWKJ-QJPTWQEYSA-N 1 0 223.385 3.999 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000308897279 487575122 /nfs/dbraw/zinc/57/51/22/487575122.db2.gz ZXXODTUWUWYWKJ-SDDRHHMPSA-N 1 0 223.385 3.999 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000308897280 487575033 /nfs/dbraw/zinc/57/50/33/487575033.db2.gz ZXXODTUWUWYWKJ-SRVKXCTJSA-N 1 0 223.385 3.999 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000308897281 487574733 /nfs/dbraw/zinc/57/47/33/487574733.db2.gz ZXXODTUWUWYWKJ-TUAOUCFPSA-N 1 0 223.385 3.999 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(CC)CC)C1CC1 ZINC000308899689 491139951 /nfs/dbraw/zinc/13/99/51/491139951.db2.gz AZUZXGSPGQKYLA-AWEZNQCLSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(CC)CC)C1CC1 ZINC000308899690 491139973 /nfs/dbraw/zinc/13/99/73/491139973.db2.gz AZUZXGSPGQKYLA-CQSZACIVSA-N 1 0 209.377 3.757 20 30 BHEDRO CCCCCCCC[NH2+]C1(C2CC2)CC1 ZINC000308911090 631721239 /nfs/dbraw/zinc/72/12/39/631721239.db2.gz DTRQGZWGSJQGJE-UHFFFAOYSA-N 1 0 209.377 3.879 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)sc1C ZINC000308912136 323181409 /nfs/dbraw/zinc/18/14/09/323181409.db2.gz FAEYEMAMFRUBFF-CYBMUJFWSA-N 1 0 223.385 3.809 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)sc1C ZINC000308912139 323181437 /nfs/dbraw/zinc/18/14/37/323181437.db2.gz FAEYEMAMFRUBFF-ZDUSSCGKSA-N 1 0 223.385 3.809 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C1CC=CC1 ZINC000308918064 631721830 /nfs/dbraw/zinc/72/18/30/631721830.db2.gz BPNLYUIQMNTUGM-CYBMUJFWSA-N 1 0 207.361 3.820 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C1CC=CC1 ZINC000308918066 632433930 /nfs/dbraw/zinc/43/39/30/632433930.db2.gz BPNLYUIQMNTUGM-ZDUSSCGKSA-N 1 0 207.361 3.820 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(SC)s1 ZINC000308920670 527162296 /nfs/dbraw/zinc/16/22/96/527162296.db2.gz GZVXNMQKULAHTP-JTQLQIEISA-N 1 0 241.425 3.914 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(SC)s1 ZINC000308920673 527053639 /nfs/dbraw/zinc/05/36/39/527053639.db2.gz GZVXNMQKULAHTP-SNVBAGLBSA-N 1 0 241.425 3.914 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000308922977 527424662 /nfs/dbraw/zinc/42/46/62/527424662.db2.gz CODZJZRWROWQKN-GHMZBOCLSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000308922978 527425688 /nfs/dbraw/zinc/42/56/88/527425688.db2.gz CODZJZRWROWQKN-MNOVXSKESA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000308922979 527465712 /nfs/dbraw/zinc/46/57/12/527465712.db2.gz CODZJZRWROWQKN-QWRGUYRKSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000308922980 527464465 /nfs/dbraw/zinc/46/44/65/527464465.db2.gz CODZJZRWROWQKN-WDEREUQCSA-N 1 0 217.303 3.509 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1ccoc1 ZINC000308925848 711630778 /nfs/dbraw/zinc/63/07/78/711630778.db2.gz IEXZBPONKCEAIK-GFCCVEGCSA-N 1 0 209.333 3.901 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1ccoc1 ZINC000308925849 711631210 /nfs/dbraw/zinc/63/12/10/711631210.db2.gz IEXZBPONKCEAIK-LBPRGKRZSA-N 1 0 209.333 3.901 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)CCC(C)(C)C ZINC000308926627 527004374 /nfs/dbraw/zinc/00/43/74/527004374.db2.gz MKZIVSGBEGWIEX-GFCCVEGCSA-N 1 0 229.433 3.710 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000308926629 527004501 /nfs/dbraw/zinc/00/45/01/527004501.db2.gz MKZIVSGBEGWIEX-LBPRGKRZSA-N 1 0 229.433 3.710 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCC=C(C)C ZINC000308928136 632471800 /nfs/dbraw/zinc/47/18/00/632471800.db2.gz DOUPVBXIICWTGR-CQSZACIVSA-N 1 0 207.361 3.514 20 30 BHEDRO C=C(Cl)C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000308928775 631745621 /nfs/dbraw/zinc/74/56/21/631745621.db2.gz DTFZVGCREDAWNH-SECBINFHSA-N 1 0 244.165 3.786 20 30 BHEDRO C=C(Cl)C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000308928777 631746492 /nfs/dbraw/zinc/74/64/92/631746492.db2.gz DTFZVGCREDAWNH-VIFPVBQESA-N 1 0 244.165 3.786 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(CC)s1 ZINC000308932070 323182043 /nfs/dbraw/zinc/18/20/43/323182043.db2.gz JTDPJGQDMBRALS-LLVKDONJSA-N 1 0 223.385 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(CC)s1 ZINC000308932075 323182039 /nfs/dbraw/zinc/18/20/39/323182039.db2.gz JTDPJGQDMBRALS-NSHDSACASA-N 1 0 223.385 3.755 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000308938581 631744905 /nfs/dbraw/zinc/74/49/05/631744905.db2.gz RCMOEAIEPNGTLC-CYBMUJFWSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000308938582 632541299 /nfs/dbraw/zinc/54/12/99/632541299.db2.gz RCMOEAIEPNGTLC-ZDUSSCGKSA-N 1 0 209.377 3.594 20 30 BHEDRO C=CC[C@H](CC)Nc1cc[nH+]c(C)c1Cl ZINC000308942994 527165073 /nfs/dbraw/zinc/16/50/73/527165073.db2.gz MTIONDBWBRQCQY-JTQLQIEISA-N 1 0 224.735 3.810 20 30 BHEDRO C=CC[C@@H](CC)Nc1cc[nH+]c(C)c1Cl ZINC000308942996 527054501 /nfs/dbraw/zinc/05/45/01/527054501.db2.gz MTIONDBWBRQCQY-SNVBAGLBSA-N 1 0 224.735 3.810 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1cscc1C ZINC000308948847 527427152 /nfs/dbraw/zinc/42/71/52/527427152.db2.gz ONZLKVFVLDQQII-CYBMUJFWSA-N 1 0 223.385 3.891 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1cscc1C ZINC000308948848 527467079 /nfs/dbraw/zinc/46/70/79/527467079.db2.gz ONZLKVFVLDQQII-ZDUSSCGKSA-N 1 0 223.385 3.891 20 30 BHEDRO C=CCC(C)(C)CNc1ccncc1Cl ZINC000308950273 385312378 /nfs/dbraw/zinc/31/23/78/385312378.db2.gz UQUFZDBGLVKZJZ-UHFFFAOYSA-N 1 0 224.735 3.749 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C(C)(C)C(F)F ZINC000308951593 491141136 /nfs/dbraw/zinc/14/11/36/491141136.db2.gz PHJGKJKEXSMPDE-JTQLQIEISA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C(C)(C)C(F)F ZINC000308951594 491141119 /nfs/dbraw/zinc/14/11/19/491141119.db2.gz PHJGKJKEXSMPDE-SNVBAGLBSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(Cl)cc1 ZINC000308959353 527052766 /nfs/dbraw/zinc/05/27/66/527052766.db2.gz RLDIHSOXPCTRFX-CYBMUJFWSA-N 1 0 223.747 3.784 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(Cl)cc1 ZINC000308959354 527162049 /nfs/dbraw/zinc/16/20/49/527162049.db2.gz RLDIHSOXPCTRFX-ZDUSSCGKSA-N 1 0 223.747 3.784 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc(Cl)o1 ZINC000308969808 631774218 /nfs/dbraw/zinc/77/42/18/631774218.db2.gz YLSUGFWDRFLYJH-UHFFFAOYSA-N 1 0 229.751 3.993 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(Cl)c1 ZINC000308970987 527053395 /nfs/dbraw/zinc/05/33/95/527053395.db2.gz ZJWGPLRBWGWCAP-CYBMUJFWSA-N 1 0 223.747 3.784 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(Cl)c1 ZINC000308970988 527162150 /nfs/dbraw/zinc/16/21/50/527162150.db2.gz ZJWGPLRBWGWCAP-ZDUSSCGKSA-N 1 0 223.747 3.784 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000308974426 385328007 /nfs/dbraw/zinc/32/80/07/385328007.db2.gz GEABPAKPOYWBMR-GFCCVEGCSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000308974428 133452566 /nfs/dbraw/zinc/45/25/66/133452566.db2.gz GEABPAKPOYWBMR-LBPRGKRZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=C(C)CC[NH2+]C1(C(F)F)CCCCC1 ZINC000308976196 526454113 /nfs/dbraw/zinc/45/41/13/526454113.db2.gz GSCFKTJMNJIIPT-UHFFFAOYSA-N 1 0 217.303 3.510 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000308980935 491141780 /nfs/dbraw/zinc/14/17/80/491141780.db2.gz ICYNJHHXDKLQPW-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000308980941 491141811 /nfs/dbraw/zinc/14/18/11/491141811.db2.gz ICYNJHHXDKLQPW-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000308980949 491141816 /nfs/dbraw/zinc/14/18/16/491141816.db2.gz ICYNJHHXDKLQPW-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000308980956 491141806 /nfs/dbraw/zinc/14/18/06/491141806.db2.gz ICYNJHHXDKLQPW-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000308982201 526627092 /nfs/dbraw/zinc/62/70/92/526627092.db2.gz INNOTEYTJJZHJU-CYBMUJFWSA-N 1 0 203.329 3.530 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000308982202 526624241 /nfs/dbraw/zinc/62/42/41/526624241.db2.gz INNOTEYTJJZHJU-ZDUSSCGKSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000308987477 631780704 /nfs/dbraw/zinc/78/07/04/631780704.db2.gz KDGDCMFYFQBAMF-UHFFFAOYSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)CCC=C(C)C ZINC000308988737 527004426 /nfs/dbraw/zinc/00/44/26/527004426.db2.gz KLUBPBWGJMDSFL-CYBMUJFWSA-N 1 0 227.417 3.630 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)CCC=C(C)C ZINC000308988738 527005156 /nfs/dbraw/zinc/00/51/56/527005156.db2.gz KLUBPBWGJMDSFL-ZDUSSCGKSA-N 1 0 227.417 3.630 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CCC=C)C1CC1 ZINC000308990801 527169728 /nfs/dbraw/zinc/16/97/28/527169728.db2.gz LCRXBTZGNUFTOU-AWEZNQCLSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCCCC[NH2+][C@H](CCC=C)C1CC1 ZINC000308990805 527170893 /nfs/dbraw/zinc/17/08/93/527170893.db2.gz LCRXBTZGNUFTOU-CQSZACIVSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)C1CCCCCC1 ZINC000308999150 527033109 /nfs/dbraw/zinc/03/31/09/527033109.db2.gz NMGPNRMISDZUNP-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)C1CCCCCC1 ZINC000308999151 527033078 /nfs/dbraw/zinc/03/30/78/527033078.db2.gz NMGPNRMISDZUNP-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)C1CCCCCC1 ZINC000308999152 527139188 /nfs/dbraw/zinc/13/91/88/527139188.db2.gz NMGPNRMISDZUNP-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)C1CCCCCC1 ZINC000308999153 527139110 /nfs/dbraw/zinc/13/91/10/527139110.db2.gz NMGPNRMISDZUNP-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=C(C)C[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000309001976 526625081 /nfs/dbraw/zinc/62/50/81/526625081.db2.gz OISAPRDMOKMFBK-UHFFFAOYSA-N 1 0 223.747 3.623 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000309004735 527137942 /nfs/dbraw/zinc/13/79/42/527137942.db2.gz PJGZLIKSHWYDQY-HZSPNIEDSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000309004736 527137595 /nfs/dbraw/zinc/13/75/95/527137595.db2.gz PJGZLIKSHWYDQY-IHRRRGAJSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000309004737 527137706 /nfs/dbraw/zinc/13/77/06/527137706.db2.gz PJGZLIKSHWYDQY-MELADBBJSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000309004738 527137434 /nfs/dbraw/zinc/13/74/34/527137434.db2.gz PJGZLIKSHWYDQY-RDBSUJKOSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000309007898 631801475 /nfs/dbraw/zinc/80/14/75/631801475.db2.gz QNMVDGREQBQMSK-HZSPNIEDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000309007899 633841929 /nfs/dbraw/zinc/84/19/29/633841929.db2.gz QNMVDGREQBQMSK-IHRRRGAJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000309007900 631800584 /nfs/dbraw/zinc/80/05/84/631800584.db2.gz QNMVDGREQBQMSK-MELADBBJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000309007901 632614505 /nfs/dbraw/zinc/61/45/05/632614505.db2.gz QNMVDGREQBQMSK-RDBSUJKOSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000309007937 527171120 /nfs/dbraw/zinc/17/11/20/527171120.db2.gz QOCBROMPTCAMGX-KBPBESRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000309007938 527171690 /nfs/dbraw/zinc/17/16/90/527171690.db2.gz QOCBROMPTCAMGX-KGLIPLIRSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000309007939 527169515 /nfs/dbraw/zinc/16/95/15/527169515.db2.gz QOCBROMPTCAMGX-UONOGXRCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000309007941 259336735 /nfs/dbraw/zinc/33/67/35/259336735.db2.gz QOCBROMPTCAMGX-ZIAGYGMSSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cscc1C ZINC000309010920 385359058 /nfs/dbraw/zinc/35/90/58/385359058.db2.gz RWAUBOLETMPXRC-CMPLNLGQSA-N 1 0 223.385 3.747 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cscc1C ZINC000309010921 385358322 /nfs/dbraw/zinc/35/83/22/385358322.db2.gz RWAUBOLETMPXRC-JQWIXIFHSA-N 1 0 223.385 3.747 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cscc1C ZINC000309010922 133453022 /nfs/dbraw/zinc/45/30/22/133453022.db2.gz RWAUBOLETMPXRC-PWSUYJOCSA-N 1 0 223.385 3.747 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cscc1C ZINC000309010923 385359339 /nfs/dbraw/zinc/35/93/39/385359339.db2.gz RWAUBOLETMPXRC-ZYHUDNBSSA-N 1 0 223.385 3.747 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000309011296 527465458 /nfs/dbraw/zinc/46/54/58/527465458.db2.gz RXTKLULEGRJMGG-ABXWRUBCSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000309011297 527425611 /nfs/dbraw/zinc/42/56/11/527425611.db2.gz RXTKLULEGRJMGG-BLYZHGLHSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000309011298 259336441 /nfs/dbraw/zinc/33/64/41/259336441.db2.gz RXTKLULEGRJMGG-GFJIZPEISA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000309011299 527425693 /nfs/dbraw/zinc/42/56/93/527425693.db2.gz RXTKLULEGRJMGG-RYSNWHEDSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)Cc1ccsc1 ZINC000309017266 323190125 /nfs/dbraw/zinc/19/01/25/323190125.db2.gz VACXTYSYCBLXPB-GFCCVEGCSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000309017267 323190117 /nfs/dbraw/zinc/19/01/17/323190117.db2.gz VACXTYSYCBLXPB-LBPRGKRZSA-N 1 0 223.385 3.625 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000309018241 631801371 /nfs/dbraw/zinc/80/13/71/631801371.db2.gz RZMZDIRAZZOLSL-NOZJJQNGSA-N 1 0 221.731 3.577 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000309018243 631801010 /nfs/dbraw/zinc/80/10/10/631801010.db2.gz RZMZDIRAZZOLSL-RNCFNFMXSA-N 1 0 221.731 3.577 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000309018245 631801871 /nfs/dbraw/zinc/80/18/71/631801871.db2.gz RZMZDIRAZZOLSL-TVQRCGJNSA-N 1 0 221.731 3.577 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000309018247 631800416 /nfs/dbraw/zinc/80/04/16/631800416.db2.gz RZMZDIRAZZOLSL-ZANVPECISA-N 1 0 221.731 3.577 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1cc(Cl)cs1)C(C)(C)C ZINC000309019191 631800862 /nfs/dbraw/zinc/80/08/62/631800862.db2.gz VZDBWCJJKVLQHT-LLVKDONJSA-N 1 0 241.787 3.539 20 30 BHEDRO C#C[C@H]([NH2+]Cc1cc(Cl)cs1)C(C)(C)C ZINC000309019192 631800260 /nfs/dbraw/zinc/80/02/60/631800260.db2.gz VZDBWCJJKVLQHT-NSHDSACASA-N 1 0 241.787 3.539 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000309019858 384445792 /nfs/dbraw/zinc/44/57/92/384445792.db2.gz WJNNTHHYVPIXLM-HZSPNIEDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000309019859 527172681 /nfs/dbraw/zinc/17/26/81/527172681.db2.gz WJNNTHHYVPIXLM-IHRRRGAJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000309019860 527172326 /nfs/dbraw/zinc/17/23/26/527172326.db2.gz WJNNTHHYVPIXLM-MELADBBJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000309019861 527172827 /nfs/dbraw/zinc/17/28/27/527172827.db2.gz WJNNTHHYVPIXLM-RDBSUJKOSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000309020064 259336907 /nfs/dbraw/zinc/33/69/07/259336907.db2.gz WMTHNTWBRCDZHA-CYBMUJFWSA-N 1 0 223.747 3.813 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000309020065 259336588 /nfs/dbraw/zinc/33/65/88/259336588.db2.gz WMTHNTWBRCDZHA-ZDUSSCGKSA-N 1 0 223.747 3.813 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)Cc1cccs1 ZINC000309020376 491142556 /nfs/dbraw/zinc/14/25/56/491142556.db2.gz WQMRXLBZOSPBKX-GFCCVEGCSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)Cc1cccs1 ZINC000309020377 491142545 /nfs/dbraw/zinc/14/25/45/491142545.db2.gz WQMRXLBZOSPBKX-LBPRGKRZSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC1CCC1)C1CC1 ZINC000309021654 631802831 /nfs/dbraw/zinc/80/28/31/631802831.db2.gz XMYXMTIBQCPTJJ-AWEZNQCLSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC1CCC1)C1CC1 ZINC000309021655 631803301 /nfs/dbraw/zinc/80/33/01/631803301.db2.gz XMYXMTIBQCPTJJ-CQSZACIVSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000309024020 385366201 /nfs/dbraw/zinc/36/62/01/385366201.db2.gz YVZNLJUJAJYBIJ-HSBZDZAISA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000309024021 385367697 /nfs/dbraw/zinc/36/76/97/385367697.db2.gz YVZNLJUJAJYBIJ-IYXRBSQSSA-N 1 0 207.361 3.511 20 30 BHEDRO C#C[C@H]([NH2+]Cc1ccc(Cl)s1)C(C)(C)C ZINC000309024430 631804639 /nfs/dbraw/zinc/80/46/39/631804639.db2.gz ZAWVJURCQFNHLH-JTQLQIEISA-N 1 0 241.787 3.539 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1ccc(Cl)s1)C(C)(C)C ZINC000309024432 631804539 /nfs/dbraw/zinc/80/45/39/631804539.db2.gz ZAWVJURCQFNHLH-SNVBAGLBSA-N 1 0 241.787 3.539 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000309026025 527173234 /nfs/dbraw/zinc/17/32/34/527173234.db2.gz ZYKWJHKEYZAFRY-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000309026026 527172650 /nfs/dbraw/zinc/17/26/50/527172650.db2.gz ZYKWJHKEYZAFRY-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000309026027 527173211 /nfs/dbraw/zinc/17/32/11/527173211.db2.gz ZYKWJHKEYZAFRY-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000309026028 527172188 /nfs/dbraw/zinc/17/21/88/527172188.db2.gz ZYKWJHKEYZAFRY-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc(C)sc1C ZINC000309032211 323197328 /nfs/dbraw/zinc/19/73/28/323197328.db2.gz CLLARDKLPWAPBK-UHFFFAOYSA-N 1 0 223.385 3.811 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(CC)s1 ZINC000309039456 323197629 /nfs/dbraw/zinc/19/76/29/323197629.db2.gz ISLMQIKIMWHLHK-UHFFFAOYSA-N 1 0 223.385 3.756 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000309045364 526859728 /nfs/dbraw/zinc/85/97/28/526859728.db2.gz ODHHHDAMKMEZSF-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000309045365 526859651 /nfs/dbraw/zinc/85/96/51/526859651.db2.gz ODHHHDAMKMEZSF-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCCC[C@H]1SCC ZINC000309045366 526862327 /nfs/dbraw/zinc/86/23/27/526862327.db2.gz ODHHHDAMKMEZSF-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000309045367 526861904 /nfs/dbraw/zinc/86/19/04/526861904.db2.gz ODHHHDAMKMEZSF-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccccc1Cl ZINC000309046125 527168004 /nfs/dbraw/zinc/16/80/04/527168004.db2.gz NFPAYADQUJBSOJ-UHFFFAOYSA-N 1 0 223.747 3.786 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000309055734 526455854 /nfs/dbraw/zinc/45/58/54/526455854.db2.gz UIYANOONCTZBSX-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000309055735 526455955 /nfs/dbraw/zinc/45/59/55/526455955.db2.gz UIYANOONCTZBSX-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@H]1SCC ZINC000309055736 526456595 /nfs/dbraw/zinc/45/65/95/526456595.db2.gz UIYANOONCTZBSX-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000309055737 259336922 /nfs/dbraw/zinc/33/69/22/259336922.db2.gz UIYANOONCTZBSX-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000309067422 527165168 /nfs/dbraw/zinc/16/51/68/527165168.db2.gz ADGXROQZWIXBJC-RFQIPJPRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000309067423 527164336 /nfs/dbraw/zinc/16/43/36/527164336.db2.gz ADGXROQZWIXBJC-XDQVBPFNSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000309067424 527165162 /nfs/dbraw/zinc/16/51/62/527165162.db2.gz ADGXROQZWIXBJC-YIYPIFLZSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000309067425 527164715 /nfs/dbraw/zinc/16/47/15/527164715.db2.gz ADGXROQZWIXBJC-ZOBORPQBSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000309068152 527162495 /nfs/dbraw/zinc/16/24/95/527162495.db2.gz ALFHZLVPIIIMEW-AVGNSLFASA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309068156 384439915 /nfs/dbraw/zinc/43/99/15/384439915.db2.gz ALFHZLVPIIIMEW-RFQIPJPRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309068159 527055259 /nfs/dbraw/zinc/05/52/59/527055259.db2.gz ALFHZLVPIIIMEW-RQJABVFESA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000309068163 527162131 /nfs/dbraw/zinc/16/21/31/527162131.db2.gz ALFHZLVPIIIMEW-UPJWGTAASA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000309068450 527234209 /nfs/dbraw/zinc/23/42/09/527234209.db2.gz BJTVQJKJQKIJQX-JTQLQIEISA-N 1 0 223.282 3.519 20 30 BHEDRO C=CCCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000309068451 527235216 /nfs/dbraw/zinc/23/52/16/527235216.db2.gz BJTVQJKJQKIJQX-SNVBAGLBSA-N 1 0 223.282 3.519 20 30 BHEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCCCCC=C ZINC000309069259 631832366 /nfs/dbraw/zinc/83/23/66/631832366.db2.gz ATKGAGZEISTONS-KBPBESRZSA-N 1 0 207.361 3.513 20 30 BHEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCCCCC=C ZINC000309069260 631833143 /nfs/dbraw/zinc/83/31/43/631833143.db2.gz ATKGAGZEISTONS-KGLIPLIRSA-N 1 0 207.361 3.513 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCCCCC=C ZINC000309069261 631832289 /nfs/dbraw/zinc/83/22/89/631832289.db2.gz ATKGAGZEISTONS-UONOGXRCSA-N 1 0 207.361 3.513 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@H](C)CCCCCC=C ZINC000309069262 631832816 /nfs/dbraw/zinc/83/28/16/631832816.db2.gz ATKGAGZEISTONS-ZIAGYGMSSA-N 1 0 207.361 3.513 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309076181 527171396 /nfs/dbraw/zinc/17/13/96/527171396.db2.gz KOOOHMCARXWUKR-KBPBESRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309076182 527171684 /nfs/dbraw/zinc/17/16/84/527171684.db2.gz KOOOHMCARXWUKR-KGLIPLIRSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309076183 527170918 /nfs/dbraw/zinc/17/09/18/527170918.db2.gz KOOOHMCARXWUKR-UONOGXRCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309076184 527171002 /nfs/dbraw/zinc/17/10/02/527171002.db2.gz KOOOHMCARXWUKR-ZIAGYGMSSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000309076192 346959859 /nfs/dbraw/zinc/95/98/59/346959859.db2.gz KPCCDJUJWNCZQH-GHMZBOCLSA-N 1 0 221.369 3.634 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000309076193 346959738 /nfs/dbraw/zinc/95/97/38/346959738.db2.gz KPCCDJUJWNCZQH-WDEREUQCSA-N 1 0 221.369 3.634 20 30 BHEDRO C=C(C)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000309077379 526624677 /nfs/dbraw/zinc/62/46/77/526624677.db2.gz MBTKVQWFVBIALE-UHFFFAOYSA-N 1 0 223.747 3.741 20 30 BHEDRO C=CCCCC[NH2+]C1CCC2(CC2)CC1 ZINC000309077512 385398891 /nfs/dbraw/zinc/39/88/91/385398891.db2.gz MHZDCJJVMJEAKZ-UHFFFAOYSA-N 1 0 207.361 3.655 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000309078800 385398909 /nfs/dbraw/zinc/39/89/09/385398909.db2.gz NJTGWJXSSCQUGN-CYBMUJFWSA-N 1 0 221.369 3.755 20 30 BHEDRO C=C(C)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000309078801 526457387 /nfs/dbraw/zinc/45/73/87/526457387.db2.gz NJTGWJXSSCQUGN-ZDUSSCGKSA-N 1 0 221.369 3.755 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000309081246 527424755 /nfs/dbraw/zinc/42/47/55/527424755.db2.gz PXOQWMSLJNHTKO-NEPJUHHUSA-N 1 0 229.433 3.708 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000309081247 527465232 /nfs/dbraw/zinc/46/52/32/527465232.db2.gz PXOQWMSLJNHTKO-NWDGAFQWSA-N 1 0 229.433 3.708 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000309081248 259336895 /nfs/dbraw/zinc/33/68/95/259336895.db2.gz PXOQWMSLJNHTKO-RYUDHWBXSA-N 1 0 229.433 3.708 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000309081249 527425892 /nfs/dbraw/zinc/42/58/92/527425892.db2.gz PXOQWMSLJNHTKO-VXGBXAGGSA-N 1 0 229.433 3.708 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(SC)s1 ZINC000309084557 527168556 /nfs/dbraw/zinc/16/85/56/527168556.db2.gz VOFSSXGUVKPGJM-UHFFFAOYSA-N 1 0 241.425 3.916 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000309084644 384443370 /nfs/dbraw/zinc/44/33/70/384443370.db2.gz VRXVLIMNXSQINY-KBPBESRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000309084645 527235963 /nfs/dbraw/zinc/23/59/63/527235963.db2.gz VRXVLIMNXSQINY-KGLIPLIRSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000309084646 259336841 /nfs/dbraw/zinc/33/68/41/259336841.db2.gz VRXVLIMNXSQINY-UONOGXRCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000309084647 527235641 /nfs/dbraw/zinc/23/56/41/527235641.db2.gz VRXVLIMNXSQINY-ZIAGYGMSSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC=C(C)C)C1CC1 ZINC000309085725 527484552 /nfs/dbraw/zinc/48/45/52/527484552.db2.gz XEMUBVIUKYPMSC-AWEZNQCLSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC=C(C)C)C1CC1 ZINC000309085726 259336597 /nfs/dbraw/zinc/33/65/97/259336597.db2.gz XEMUBVIUKYPMSC-CQSZACIVSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC000309085924 527448328 /nfs/dbraw/zinc/44/83/28/527448328.db2.gz XMMOZOIHYNRWLO-CYBMUJFWSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC000309085925 527484187 /nfs/dbraw/zinc/48/41/87/527484187.db2.gz XMMOZOIHYNRWLO-ZDUSSCGKSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](C)C(C)C)C1CC1 ZINC000309086951 527450246 /nfs/dbraw/zinc/45/02/46/527450246.db2.gz YWKTXNSWVROYBX-GXTWGEPZSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](C)C(C)C)C1CC1 ZINC000309086952 527484907 /nfs/dbraw/zinc/48/49/07/527484907.db2.gz YWKTXNSWVROYBX-JSGCOSHPSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](C)C(C)C)C1CC1 ZINC000309086953 527483595 /nfs/dbraw/zinc/48/35/95/527483595.db2.gz YWKTXNSWVROYBX-OCCSQVGLSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)C(C)C)C1CC1 ZINC000309086954 527447006 /nfs/dbraw/zinc/44/70/06/527447006.db2.gz YWKTXNSWVROYBX-TZMCWYRMSA-N 1 0 209.377 3.613 20 30 BHEDRO CCCCCCC[NH2+]C1CC(C(F)F)C1 ZINC000309092333 631882126 /nfs/dbraw/zinc/88/21/26/631882126.db2.gz COKXWPQOQLRNJQ-UHFFFAOYSA-N 1 0 219.319 3.590 20 30 BHEDRO CCCCCCC[NH2+]Cc1ncc(Cl)s1 ZINC000309093857 711661914 /nfs/dbraw/zinc/66/19/14/711661914.db2.gz DCLRVERPLWXWAL-UHFFFAOYSA-N 1 0 246.807 3.857 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1cccs1 ZINC000309094835 537965192 /nfs/dbraw/zinc/96/51/92/537965192.db2.gz DLIUQAOCYDTNRB-NEPJUHHUSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1cccs1 ZINC000309094836 491144774 /nfs/dbraw/zinc/14/47/74/491144774.db2.gz DLIUQAOCYDTNRB-NWDGAFQWSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1cccs1 ZINC000309094837 491144772 /nfs/dbraw/zinc/14/47/72/491144772.db2.gz DLIUQAOCYDTNRB-RYUDHWBXSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1cccs1 ZINC000309094838 491144766 /nfs/dbraw/zinc/14/47/66/491144766.db2.gz DLIUQAOCYDTNRB-VXGBXAGGSA-N 1 0 223.385 3.623 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000309098103 631882465 /nfs/dbraw/zinc/88/24/65/631882465.db2.gz FPNRNEXSNSTGKR-KBPBESRZSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)[C@H](C)CCC ZINC000309098104 631882348 /nfs/dbraw/zinc/88/23/48/631882348.db2.gz FPNRNEXSNSTGKR-KGLIPLIRSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)[C@@H](C)CCC ZINC000309098105 631881679 /nfs/dbraw/zinc/88/16/79/631881679.db2.gz FPNRNEXSNSTGKR-UONOGXRCSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)[C@H](C)CCC ZINC000309098106 631881097 /nfs/dbraw/zinc/88/10/97/631881097.db2.gz FPNRNEXSNSTGKR-ZIAGYGMSSA-N 1 0 209.377 3.594 20 30 BHEDRO C=C(CC)CNC1(C(F)F)CCCCC1 ZINC000309105884 384525026 /nfs/dbraw/zinc/52/50/26/384525026.db2.gz HUVLPHWKEQCHCL-UHFFFAOYSA-N 1 0 217.303 3.510 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1ccoc1 ZINC000309109620 350013059 /nfs/dbraw/zinc/01/30/59/350013059.db2.gz JGGKMZGWFQFQNV-GFCCVEGCSA-N 1 0 207.317 3.677 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1ccoc1 ZINC000309109621 350012904 /nfs/dbraw/zinc/01/29/04/350012904.db2.gz JGGKMZGWFQFQNV-LBPRGKRZSA-N 1 0 207.317 3.677 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000309117387 526860073 /nfs/dbraw/zinc/86/00/73/526860073.db2.gz MDAUMOATQHJCRI-CYBMUJFWSA-N 1 0 221.369 3.755 20 30 BHEDRO C=C(CC)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000309117388 526861560 /nfs/dbraw/zinc/86/15/60/526861560.db2.gz MDAUMOATQHJCRI-ZDUSSCGKSA-N 1 0 221.369 3.755 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CC)C1CC1 ZINC000309119298 527447049 /nfs/dbraw/zinc/44/70/49/527447049.db2.gz MVXKEJMZNNSEPH-CYBMUJFWSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(C)(C)CC)C1CC1 ZINC000309119299 527483139 /nfs/dbraw/zinc/48/31/39/527483139.db2.gz MVXKEJMZNNSEPH-ZDUSSCGKSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000309122434 527170478 /nfs/dbraw/zinc/17/04/78/527170478.db2.gz OKMABBHMHARHMJ-BFHYXJOUSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309122436 527169135 /nfs/dbraw/zinc/16/91/35/527169135.db2.gz OKMABBHMHARHMJ-MCIONIFRSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000309122671 526860196 /nfs/dbraw/zinc/86/01/96/526860196.db2.gz OMGWYTBCWKGVOU-JTQLQIEISA-N 1 0 223.282 3.519 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000309122673 526860784 /nfs/dbraw/zinc/86/07/84/526860784.db2.gz OMGWYTBCWKGVOU-SNVBAGLBSA-N 1 0 223.282 3.519 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000309141162 491145478 /nfs/dbraw/zinc/14/54/78/491145478.db2.gz TWDYTJHANYYBDB-UWVGGRQHSA-N 1 0 241.787 3.854 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000309141164 491145487 /nfs/dbraw/zinc/14/54/87/491145487.db2.gz TWDYTJHANYYBDB-ZJUUUORDSA-N 1 0 241.787 3.854 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000309142821 385108892 /nfs/dbraw/zinc/10/88/92/385108892.db2.gz HQBKHEXXVQTLQV-RFQIPJPRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000309142823 385108577 /nfs/dbraw/zinc/10/85/77/385108577.db2.gz HQBKHEXXVQTLQV-XDQVBPFNSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000309142825 527165269 /nfs/dbraw/zinc/16/52/69/527165269.db2.gz HQBKHEXXVQTLQV-YIYPIFLZSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000309142827 385108414 /nfs/dbraw/zinc/10/84/14/385108414.db2.gz HQBKHEXXVQTLQV-ZOBORPQBSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CC1 ZINC000309151381 322897237 /nfs/dbraw/zinc/89/72/37/322897237.db2.gz WLPREBYRMWUUCH-BNOWGMLFSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](C)C1)C1CC1 ZINC000309151382 385132047 /nfs/dbraw/zinc/13/20/47/385132047.db2.gz WLPREBYRMWUUCH-UBHSHLNASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CC1 ZINC000309151383 384534723 /nfs/dbraw/zinc/53/47/23/384534723.db2.gz WLPREBYRMWUUCH-XBFCOCLRSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)C1CC1 ZINC000309151384 385132594 /nfs/dbraw/zinc/13/25/94/385132594.db2.gz WLPREBYRMWUUCH-YUTCNCBUSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccsc1 ZINC000309167899 323322453 /nfs/dbraw/zinc/32/24/53/323322453.db2.gz JXDGRTSRIMAPCL-AAEUAGOBSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccsc1 ZINC000309167900 323322394 /nfs/dbraw/zinc/32/23/94/323322394.db2.gz JXDGRTSRIMAPCL-DGCLKSJQSA-N 1 0 223.385 3.623 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccsc1 ZINC000309167901 323322791 /nfs/dbraw/zinc/32/27/91/323322791.db2.gz JXDGRTSRIMAPCL-WCQYABFASA-N 1 0 223.385 3.623 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccsc1 ZINC000309167902 323322456 /nfs/dbraw/zinc/32/24/56/323322456.db2.gz JXDGRTSRIMAPCL-YPMHNXCESA-N 1 0 223.385 3.623 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CCCC#N ZINC000309170122 631923429 /nfs/dbraw/zinc/92/34/29/631923429.db2.gz KZSQOYZBMGBVLF-CYBMUJFWSA-N 1 0 210.365 3.629 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CCCC#N ZINC000309170123 631924012 /nfs/dbraw/zinc/92/40/12/631924012.db2.gz KZSQOYZBMGBVLF-ZDUSSCGKSA-N 1 0 210.365 3.629 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309171537 259311280 /nfs/dbraw/zinc/31/12/80/259311280.db2.gz LMPUMXNBIYMLBL-HZSPNIEDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H](C)C1 ZINC000309171538 259311251 /nfs/dbraw/zinc/31/12/51/259311251.db2.gz LMPUMXNBIYMLBL-IHRRRGAJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000309171539 259311304 /nfs/dbraw/zinc/31/13/04/259311304.db2.gz LMPUMXNBIYMLBL-MELADBBJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309171540 259311293 /nfs/dbraw/zinc/31/12/93/259311293.db2.gz LMPUMXNBIYMLBL-RDBSUJKOSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCC)c1ccco1 ZINC000309172593 385162133 /nfs/dbraw/zinc/16/21/33/385162133.db2.gz LRYMDLXDHSJMFZ-GFCCVEGCSA-N 1 0 207.317 3.677 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCC)c1ccco1 ZINC000309172594 385161936 /nfs/dbraw/zinc/16/19/36/385161936.db2.gz LRYMDLXDHSJMFZ-LBPRGKRZSA-N 1 0 207.317 3.677 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)CCC1CC1 ZINC000309172599 256523667 /nfs/dbraw/zinc/52/36/67/256523667.db2.gz LSCHQWYFILVJDP-GXTWGEPZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)CCC1CC1 ZINC000309172600 385163691 /nfs/dbraw/zinc/16/36/91/385163691.db2.gz LSCHQWYFILVJDP-JSGCOSHPSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)CCC1CC1 ZINC000309172601 385162199 /nfs/dbraw/zinc/16/21/99/385162199.db2.gz LSCHQWYFILVJDP-OCCSQVGLSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)CCC1CC1 ZINC000309172602 385163346 /nfs/dbraw/zinc/16/33/46/385163346.db2.gz LSCHQWYFILVJDP-TZMCWYRMSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C1CCC(C)(C)CC1 ZINC000309172610 385163408 /nfs/dbraw/zinc/16/34/08/385163408.db2.gz LSOAWDAFSZPHEE-GFCCVEGCSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C1CCC(C)(C)CC1 ZINC000309172611 385162051 /nfs/dbraw/zinc/16/20/51/385162051.db2.gz LSOAWDAFSZPHEE-LBPRGKRZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCCS1 ZINC000309175317 322898424 /nfs/dbraw/zinc/89/84/24/322898424.db2.gz MLYDGMDRQXQSNS-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCCS1 ZINC000309175318 322898504 /nfs/dbraw/zinc/89/85/04/322898504.db2.gz MLYDGMDRQXQSNS-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCCS1 ZINC000309175319 322898506 /nfs/dbraw/zinc/89/85/06/322898506.db2.gz MLYDGMDRQXQSNS-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCCS1 ZINC000309175320 385170739 /nfs/dbraw/zinc/17/07/39/385170739.db2.gz MLYDGMDRQXQSNS-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCC12CCC2 ZINC000309177101 631924044 /nfs/dbraw/zinc/92/40/44/631924044.db2.gz NCUZDLJEQWJBHH-CYBMUJFWSA-N 1 0 209.377 3.879 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCC12CCC2 ZINC000309177105 632674029 /nfs/dbraw/zinc/67/40/29/632674029.db2.gz NCUZDLJEQWJBHH-ZDUSSCGKSA-N 1 0 209.377 3.879 20 30 BHEDRO C=CCCCC[NH2+]C/C=C/c1ccccc1 ZINC000309180503 385171238 /nfs/dbraw/zinc/17/12/38/385171238.db2.gz FHAGNUFMSBWWJE-FMIVXFBMSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCCCC[NH2+]C/C=C\c1ccccc1 ZINC000309180504 384500962 /nfs/dbraw/zinc/50/09/62/384500962.db2.gz FHAGNUFMSBWWJE-XFXZXTDPSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1scnc1C ZINC000309182345 632693519 /nfs/dbraw/zinc/69/35/19/632693519.db2.gz FVUJKXALZQWGMU-UHFFFAOYSA-N 1 0 238.400 3.678 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)C1CC1 ZINC000309185757 491145957 /nfs/dbraw/zinc/14/59/57/491145957.db2.gz OSOPQXHWGZSDES-GXTWGEPZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000309185758 491145990 /nfs/dbraw/zinc/14/59/90/491145990.db2.gz OSOPQXHWGZSDES-JSGCOSHPSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000309185759 491145986 /nfs/dbraw/zinc/14/59/86/491145986.db2.gz OSOPQXHWGZSDES-OCCSQVGLSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CC)C1CC1 ZINC000309185760 491146010 /nfs/dbraw/zinc/14/60/10/491146010.db2.gz OSOPQXHWGZSDES-TZMCWYRMSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C1CC(F)(F)C1 ZINC000309185774 527467182 /nfs/dbraw/zinc/46/71/82/527467182.db2.gz OTDISSGEFVDTTD-JTQLQIEISA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C1CC(F)(F)C1 ZINC000309185775 385201439 /nfs/dbraw/zinc/20/14/39/385201439.db2.gz OTDISSGEFVDTTD-SNVBAGLBSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCCc2occc21 ZINC000309185856 385450345 /nfs/dbraw/zinc/45/03/45/385450345.db2.gz HCNVZAJLNBNGNY-CYBMUJFWSA-N 1 0 219.328 3.603 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCCc2occc21 ZINC000309185858 534694314 /nfs/dbraw/zinc/69/43/14/534694314.db2.gz HCNVZAJLNBNGNY-ZDUSSCGKSA-N 1 0 219.328 3.603 20 30 BHEDRO C#CCC[NH2+][C@H](CCCCC)C(C)(C)C ZINC000309187078 632714260 /nfs/dbraw/zinc/71/42/60/632714260.db2.gz PAHKUMDDUBPQIE-CYBMUJFWSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCC[NH2+][C@@H](CCCCC)C(C)(C)C ZINC000309187079 632715342 /nfs/dbraw/zinc/71/53/42/632715342.db2.gz PAHKUMDDUBPQIE-ZDUSSCGKSA-N 1 0 209.377 3.594 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309195433 491052736 /nfs/dbraw/zinc/05/27/36/491052736.db2.gz QLDNTRXQYPTRME-GHMZBOCLSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309195434 491146153 /nfs/dbraw/zinc/14/61/53/491146153.db2.gz QLDNTRXQYPTRME-MNOVXSKESA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309195435 491146222 /nfs/dbraw/zinc/14/62/22/491146222.db2.gz QLDNTRXQYPTRME-QWRGUYRKSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309195436 491146154 /nfs/dbraw/zinc/14/61/54/491146154.db2.gz QLDNTRXQYPTRME-WDEREUQCSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCc2ccccc21 ZINC000309197382 385204116 /nfs/dbraw/zinc/20/41/16/385204116.db2.gz KKODVNXTEUKFKJ-HNNXBMFYSA-N 1 0 215.340 3.620 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000309197384 385204499 /nfs/dbraw/zinc/20/44/99/385204499.db2.gz KKODVNXTEUKFKJ-OAHLLOKOSA-N 1 0 215.340 3.620 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C1(C2CC2)CC1 ZINC000309200405 323327396 /nfs/dbraw/zinc/32/73/96/323327396.db2.gz RGPAQHOFNZJYLS-CYBMUJFWSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C1(C2CC2)CC1 ZINC000309200407 323327763 /nfs/dbraw/zinc/32/77/63/323327763.db2.gz RGPAQHOFNZJYLS-ZDUSSCGKSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)CCc1ccco1 ZINC000309207487 323328706 /nfs/dbraw/zinc/32/87/06/323328706.db2.gz MXAQZBGXSHBHGR-CYBMUJFWSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)CCc1ccco1 ZINC000309207492 323328278 /nfs/dbraw/zinc/32/82/78/323328278.db2.gz MXAQZBGXSHBHGR-ZDUSSCGKSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCC12CCCC2 ZINC000309212598 385267468 /nfs/dbraw/zinc/26/74/68/385267468.db2.gz SZYJWOMJKGJXKX-CHWSQXEVSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCC12CCCC2 ZINC000309212603 385267314 /nfs/dbraw/zinc/26/73/14/385267314.db2.gz SZYJWOMJKGJXKX-OLZOCXBDSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC12CCCC2 ZINC000309212607 384618706 /nfs/dbraw/zinc/61/87/06/384618706.db2.gz SZYJWOMJKGJXKX-QWHCGFSZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC12CCCC2 ZINC000309212612 385267778 /nfs/dbraw/zinc/26/77/78/385267778.db2.gz SZYJWOMJKGJXKX-STQMWFEESA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cnc(C)s1 ZINC000309222192 632824556 /nfs/dbraw/zinc/82/45/56/632824556.db2.gz QVBRBKQXNQASKF-UHFFFAOYSA-N 1 0 238.400 3.678 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000309222307 527054914 /nfs/dbraw/zinc/05/49/14/527054914.db2.gz VKUHQNXGLQIBLB-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000309222315 385267616 /nfs/dbraw/zinc/26/76/16/385267616.db2.gz VKUHQNXGLQIBLB-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000309222323 527165017 /nfs/dbraw/zinc/16/50/17/527165017.db2.gz VKUHQNXGLQIBLB-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000309222331 385265733 /nfs/dbraw/zinc/26/57/33/385265733.db2.gz VKUHQNXGLQIBLB-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000309222554 385269367 /nfs/dbraw/zinc/26/93/67/385269367.db2.gz VMANRQPCKNVENU-UHFFFAOYSA-N 1 0 223.747 3.704 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C1CCC2(CC2)CC1 ZINC000309227439 136274807 /nfs/dbraw/zinc/27/48/07/136274807.db2.gz WGDXDFHJMMDVLJ-GFCCVEGCSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C1CCC2(CC2)CC1 ZINC000309227440 136274929 /nfs/dbraw/zinc/27/49/29/136274929.db2.gz WGDXDFHJMMDVLJ-LBPRGKRZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000309229202 534693690 /nfs/dbraw/zinc/69/36/90/534693690.db2.gz SPELQJPQDROAOK-GFCCVEGCSA-N 1 0 221.344 3.903 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000309229857 534694095 /nfs/dbraw/zinc/69/40/95/534694095.db2.gz SPELQJPQDROAOK-LBPRGKRZSA-N 1 0 221.344 3.903 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCC1(F)CCC1 ZINC000309231516 385273081 /nfs/dbraw/zinc/27/30/81/385273081.db2.gz WTJSGCHIABXLBS-GFCCVEGCSA-N 1 0 213.340 3.603 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCC1(F)CCC1 ZINC000309231517 385273837 /nfs/dbraw/zinc/27/38/37/385273837.db2.gz WTJSGCHIABXLBS-LBPRGKRZSA-N 1 0 213.340 3.603 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1occc1C ZINC000309234359 632829956 /nfs/dbraw/zinc/82/99/56/632829956.db2.gz UQZPIGVPOIEKRS-UHFFFAOYSA-N 1 0 221.344 3.814 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000309240745 633874807 /nfs/dbraw/zinc/87/48/07/633874807.db2.gz WQCFVDYUXZCWFO-RRFJBIMHSA-N 1 0 221.388 3.901 20 30 BHEDRO C#CCCC[NH2+]CC[C@@H](CC)CCCC ZINC000309244717 632837768 /nfs/dbraw/zinc/83/77/68/632837768.db2.gz YXQSXCYONRRCLG-AWEZNQCLSA-N 1 0 209.377 3.596 20 30 BHEDRO C#CCCC[NH2+]CC[C@H](CC)CCCC ZINC000309244718 632837362 /nfs/dbraw/zinc/83/73/62/632837362.db2.gz YXQSXCYONRRCLG-CQSZACIVSA-N 1 0 209.377 3.596 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000309245485 259311971 /nfs/dbraw/zinc/31/19/71/259311971.db2.gz YDVDPOPLRRSELO-UHFFFAOYSA-N 1 0 221.319 3.580 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309246233 259311945 /nfs/dbraw/zinc/31/19/45/259311945.db2.gz ZHZSIFKQFKQBPD-BFHYXJOUSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309246784 259311950 /nfs/dbraw/zinc/31/19/50/259311950.db2.gz ZHZSIFKQFKQBPD-IHRRRGAJSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309246785 259311871 /nfs/dbraw/zinc/31/18/71/259311871.db2.gz ZHZSIFKQFKQBPD-MELADBBJSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309246786 256553825 /nfs/dbraw/zinc/55/38/25/256553825.db2.gz ZHZSIFKQFKQBPD-MJBXVCDLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000309280614 527167879 /nfs/dbraw/zinc/16/78/79/527167879.db2.gz HSKUBOBEQFYSLA-UHFFFAOYSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc(C)ccc1F ZINC000309286136 527168340 /nfs/dbraw/zinc/16/83/40/527168340.db2.gz ITDTULCFYQCTKS-UHFFFAOYSA-N 1 0 221.319 3.580 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000309303690 383866955 /nfs/dbraw/zinc/86/69/55/383866955.db2.gz MQHFOJWOKIUDFC-GFCCVEGCSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000309303691 383866643 /nfs/dbraw/zinc/86/66/43/383866643.db2.gz MQHFOJWOKIUDFC-LBPRGKRZSA-N 1 0 221.319 3.833 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000309308359 491147351 /nfs/dbraw/zinc/14/73/51/491147351.db2.gz BIJYVAVMZLVSJO-HNNXBMFYSA-N 1 0 215.340 3.694 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000309308360 491147312 /nfs/dbraw/zinc/14/73/12/491147312.db2.gz BIJYVAVMZLVSJO-OAHLLOKOSA-N 1 0 215.340 3.694 20 30 BHEDRO C=C(C)CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000309310233 256524322 /nfs/dbraw/zinc/52/43/22/256524322.db2.gz BTFCQBJDNPCCTO-HNNXBMFYSA-N 1 0 217.356 3.940 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000309310234 256524378 /nfs/dbraw/zinc/52/43/78/256524378.db2.gz BTFCQBJDNPCCTO-OAHLLOKOSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000309313111 383869373 /nfs/dbraw/zinc/86/93/73/383869373.db2.gz MRGKAGUIQODWAV-HUBLWGQQSA-N 1 0 215.340 3.789 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000309313113 527139460 /nfs/dbraw/zinc/13/94/60/527139460.db2.gz MRGKAGUIQODWAV-SLEUVZQESA-N 1 0 215.340 3.789 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000309313117 383868728 /nfs/dbraw/zinc/86/87/28/383868728.db2.gz MRGKAGUIQODWAV-TYNCELHUSA-N 1 0 215.340 3.789 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000309313121 383870282 /nfs/dbraw/zinc/87/02/82/383870282.db2.gz MRGKAGUIQODWAV-XUJVJEKNSA-N 1 0 215.340 3.789 20 30 BHEDRO C=C(C)C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000309313950 383870387 /nfs/dbraw/zinc/87/03/87/383870387.db2.gz CNUVMFUELCAXNF-UHFFFAOYSA-N 1 0 235.293 3.521 20 30 BHEDRO C=CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000309313990 491146741 /nfs/dbraw/zinc/14/67/41/491146741.db2.gz COSLYJDNVDOCBA-HNNXBMFYSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000309313992 491146792 /nfs/dbraw/zinc/14/67/92/491146792.db2.gz COSLYJDNVDOCBA-OAHLLOKOSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000309316446 384660053 /nfs/dbraw/zinc/66/00/53/384660053.db2.gz DDGAAUWXGOKPKI-HNNXBMFYSA-N 1 0 217.356 3.858 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000309316449 383870053 /nfs/dbraw/zinc/87/00/53/383870053.db2.gz DDGAAUWXGOKPKI-OAHLLOKOSA-N 1 0 217.356 3.858 20 30 BHEDRO C=CCCCCCCC[NH2+]C1CCSCC1 ZINC000309316558 631992023 /nfs/dbraw/zinc/99/20/23/631992023.db2.gz DEUCHYBLSUAHLH-UHFFFAOYSA-N 1 0 241.444 3.998 20 30 BHEDRO C=CCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000309319354 383875821 /nfs/dbraw/zinc/87/58/21/383875821.db2.gz OVSABEFQWGEYIX-DOMZBBRYSA-N 1 0 215.340 3.791 20 30 BHEDRO C=CCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000309319355 383876914 /nfs/dbraw/zinc/87/69/14/383876914.db2.gz OVSABEFQWGEYIX-IUODEOHRSA-N 1 0 215.340 3.791 20 30 BHEDRO C=CCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000309319357 383876219 /nfs/dbraw/zinc/87/62/19/383876219.db2.gz OVSABEFQWGEYIX-SWLSCSKDSA-N 1 0 215.340 3.791 20 30 BHEDRO C=CCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000309319358 383876708 /nfs/dbraw/zinc/87/67/08/383876708.db2.gz OVSABEFQWGEYIX-WFASDCNBSA-N 1 0 215.340 3.791 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000309321412 347035045 /nfs/dbraw/zinc/03/50/45/347035045.db2.gz FHEDWVADGQQMRQ-LLVKDONJSA-N 1 0 238.400 3.883 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000309321414 347035298 /nfs/dbraw/zinc/03/52/98/347035298.db2.gz FHEDWVADGQQMRQ-NSHDSACASA-N 1 0 238.400 3.883 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(=C)C)c1ccccc1 ZINC000309324963 136218142 /nfs/dbraw/zinc/21/81/42/136218142.db2.gz GHDIMKQZIIZUFB-HNNXBMFYSA-N 1 0 215.340 3.860 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(=C)C)c1ccccc1 ZINC000309325359 534797374 /nfs/dbraw/zinc/79/73/74/534797374.db2.gz GHDIMKQZIIZUFB-OAHLLOKOSA-N 1 0 215.340 3.860 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000309327078 383880908 /nfs/dbraw/zinc/88/09/08/383880908.db2.gz GUPOPTIPGKHOPF-AWEZNQCLSA-N 1 0 221.319 3.689 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000309327079 383880029 /nfs/dbraw/zinc/88/00/29/383880029.db2.gz GUPOPTIPGKHOPF-CQSZACIVSA-N 1 0 221.319 3.689 20 30 BHEDRO CC(C)C[C@@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000309327085 347034493 /nfs/dbraw/zinc/03/44/93/347034493.db2.gz GUUWDIWADJCNIM-CYBMUJFWSA-N 1 0 224.392 3.588 20 30 BHEDRO CC(C)C[C@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000309327086 347034406 /nfs/dbraw/zinc/03/44/06/347034406.db2.gz GUUWDIWADJCNIM-ZDUSSCGKSA-N 1 0 224.392 3.588 20 30 BHEDRO CC(C)C([NH2+]CCCC(C)(C)C#N)C(C)C ZINC000309327705 350318637 /nfs/dbraw/zinc/31/86/37/350318637.db2.gz GZEGBAFAJCCYIW-UHFFFAOYSA-N 1 0 224.392 3.587 20 30 BHEDRO C=C(C)C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000309332462 383880224 /nfs/dbraw/zinc/88/02/24/383880224.db2.gz IDXYYOZVBGOWQW-WQLSENKSSA-N 1 0 235.758 3.909 20 30 BHEDRO C=C(C)C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000309332463 384636769 /nfs/dbraw/zinc/63/67/69/384636769.db2.gz IDXYYOZVBGOWQW-XYOKQWHBSA-N 1 0 235.758 3.909 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000309334656 383881766 /nfs/dbraw/zinc/88/17/66/383881766.db2.gz AIIAGRTULHAKMC-UHFFFAOYSA-N 1 0 217.356 3.786 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC12CCCC2)C1CC1 ZINC000309335476 383883046 /nfs/dbraw/zinc/88/30/46/383883046.db2.gz IXEVZWGURGDCRY-KBPBESRZSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CC12CCCC2)C1CC1 ZINC000309335479 383883739 /nfs/dbraw/zinc/88/37/39/383883739.db2.gz IXEVZWGURGDCRY-KGLIPLIRSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC12CCCC2)C1CC1 ZINC000309335482 383882385 /nfs/dbraw/zinc/88/23/85/383882385.db2.gz IXEVZWGURGDCRY-UONOGXRCSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CC12CCCC2)C1CC1 ZINC000309335486 383887064 /nfs/dbraw/zinc/88/70/64/383887064.db2.gz IXEVZWGURGDCRY-ZIAGYGMSSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CCCC[NH2+][C@H](CCC=C)c1ccco1 ZINC000309339320 383884431 /nfs/dbraw/zinc/88/44/31/383884431.db2.gz JVCNEQTZOSYDCR-CYBMUJFWSA-N 1 0 219.328 3.843 20 30 BHEDRO C=CCCC[NH2+][C@@H](CCC=C)c1ccco1 ZINC000309339321 383884049 /nfs/dbraw/zinc/88/40/49/383884049.db2.gz JVCNEQTZOSYDCR-ZDUSSCGKSA-N 1 0 219.328 3.843 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000309343403 632005066 /nfs/dbraw/zinc/00/50/66/632005066.db2.gz XUVRDZHTDZMTSG-JTQLQIEISA-N 1 0 239.721 3.543 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000309343405 632006070 /nfs/dbraw/zinc/00/60/70/632006070.db2.gz XUVRDZHTDZMTSG-SNVBAGLBSA-N 1 0 239.721 3.543 20 30 BHEDRO CC#CC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000309349045 383897863 /nfs/dbraw/zinc/89/78/63/383897863.db2.gz MJCGBMTYUWURGR-AWEZNQCLSA-N 1 0 235.758 3.650 20 30 BHEDRO CC#CC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000309349046 383897537 /nfs/dbraw/zinc/89/75/37/383897537.db2.gz MJCGBMTYUWURGR-CQSZACIVSA-N 1 0 235.758 3.650 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000309356253 322901978 /nfs/dbraw/zinc/90/19/78/322901978.db2.gz AFQDDKDLZFQOKG-UHFFFAOYSA-N 1 0 221.319 3.617 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC1(C)C)c1ccco1 ZINC000309356277 134598111 /nfs/dbraw/zinc/59/81/11/134598111.db2.gz AGQCZPFQQQENKR-AAEUAGOBSA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccco1 ZINC000309356278 347040223 /nfs/dbraw/zinc/04/02/23/347040223.db2.gz AGQCZPFQQQENKR-DGCLKSJQSA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1ccoc1 ZINC000309357747 632010463 /nfs/dbraw/zinc/01/04/63/632010463.db2.gz ODUQFSWOKNOSEJ-UHFFFAOYSA-N 1 0 221.344 3.896 20 30 BHEDRO C=CCCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000309359085 343321599 /nfs/dbraw/zinc/32/15/99/343321599.db2.gz YYNAWPNOEJPGDN-AWEZNQCLSA-N 1 0 217.356 3.736 20 30 BHEDRO C=CCCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000309359088 343321884 /nfs/dbraw/zinc/32/18/84/343321884.db2.gz YYNAWPNOEJPGDN-CQSZACIVSA-N 1 0 217.356 3.736 20 30 BHEDRO C=CCCCC[NH2+]Cc1cnc(C(C)C)s1 ZINC000309361424 534693051 /nfs/dbraw/zinc/69/30/51/534693051.db2.gz OTLPDXRNMBDOBQ-UHFFFAOYSA-N 1 0 238.400 3.712 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000309362187 632971685 /nfs/dbraw/zinc/97/16/85/632971685.db2.gz OWQOGBXVAORDCE-AWEZNQCLSA-N 1 0 235.758 3.650 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000309362189 632022700 /nfs/dbraw/zinc/02/27/00/632022700.db2.gz OWQOGBXVAORDCE-CQSZACIVSA-N 1 0 235.758 3.650 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000309363815 632023928 /nfs/dbraw/zinc/02/39/28/632023928.db2.gz AYLLBHBMJNQPTH-LLVKDONJSA-N 1 0 238.762 3.742 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000309363816 632023382 /nfs/dbraw/zinc/02/33/82/632023382.db2.gz AYLLBHBMJNQPTH-NSHDSACASA-N 1 0 238.762 3.742 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000309363922 383906684 /nfs/dbraw/zinc/90/66/84/383906684.db2.gz PDLMJJISDGBJOI-HNNXBMFYSA-N 1 0 217.356 3.858 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000309363924 383905841 /nfs/dbraw/zinc/90/58/41/383905841.db2.gz PDLMJJISDGBJOI-OAHLLOKOSA-N 1 0 217.356 3.858 20 30 BHEDRO C=CCCCC[NH2+]Cc1ncc(C(C)C)s1 ZINC000309366534 534692505 /nfs/dbraw/zinc/69/25/05/534692505.db2.gz PQBHGGVHZNFXJW-UHFFFAOYSA-N 1 0 238.400 3.712 20 30 BHEDRO C=CC[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000309368063 383906876 /nfs/dbraw/zinc/90/68/76/383906876.db2.gz PXFXQEFQJRCCCJ-JTQLQIEISA-N 1 0 241.737 3.576 20 30 BHEDRO C=CC[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000309368065 383906797 /nfs/dbraw/zinc/90/67/97/383906797.db2.gz PXFXQEFQJRCCCJ-SNVBAGLBSA-N 1 0 241.737 3.576 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000309374088 632025631 /nfs/dbraw/zinc/02/56/31/632025631.db2.gz CKRRAAKTKXVHMN-AWEZNQCLSA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)C1CCCCCC1 ZINC000309374090 632024914 /nfs/dbraw/zinc/02/49/14/632024914.db2.gz CKRRAAKTKXVHMN-CQSZACIVSA-N 1 0 221.388 3.738 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000309376666 491147668 /nfs/dbraw/zinc/14/76/68/491147668.db2.gz CTWBJWTXKAYNQX-GFCCVEGCSA-N 1 0 221.319 3.669 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000309376669 491147729 /nfs/dbraw/zinc/14/77/29/491147729.db2.gz CTWBJWTXKAYNQX-LBPRGKRZSA-N 1 0 221.319 3.669 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H](C)CC=C)c1ccco1 ZINC000309379786 383927236 /nfs/dbraw/zinc/92/72/36/383927236.db2.gz ADRGKQZBKRUHAS-CHWSQXEVSA-N 1 0 219.328 3.841 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H](C)CC=C)c1ccco1 ZINC000309379789 383927371 /nfs/dbraw/zinc/92/73/71/383927371.db2.gz ADRGKQZBKRUHAS-OLZOCXBDSA-N 1 0 219.328 3.841 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H](C)CC=C)c1ccco1 ZINC000309379791 383928343 /nfs/dbraw/zinc/92/83/43/383928343.db2.gz ADRGKQZBKRUHAS-QWHCGFSZSA-N 1 0 219.328 3.841 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H](C)CC=C)c1ccco1 ZINC000309379794 527486903 /nfs/dbraw/zinc/48/69/03/527486903.db2.gz ADRGKQZBKRUHAS-STQMWFEESA-N 1 0 219.328 3.841 20 30 BHEDRO C=CCCC[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000309387372 383923968 /nfs/dbraw/zinc/92/39/68/383923968.db2.gz FFALJPLXNZPZTD-GFCCVEGCSA-N 1 0 237.774 3.827 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000309387375 383923202 /nfs/dbraw/zinc/92/32/02/383923202.db2.gz FFALJPLXNZPZTD-LBPRGKRZSA-N 1 0 237.774 3.827 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309393859 633008856 /nfs/dbraw/zinc/00/88/56/633008856.db2.gz UYBZYCSYCQTOND-CABCVRRESA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309393861 633907518 /nfs/dbraw/zinc/90/75/18/633907518.db2.gz UYBZYCSYCQTOND-GJZGRUSLSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309393864 632022138 /nfs/dbraw/zinc/02/21/38/632022138.db2.gz UYBZYCSYCQTOND-HUUCEWRRSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309393866 633907521 /nfs/dbraw/zinc/90/75/21/633907521.db2.gz UYBZYCSYCQTOND-LSDHHAIUSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000309400480 134399965 /nfs/dbraw/zinc/39/99/65/134399965.db2.gz HHKSWSOTGQDEPI-JTQLQIEISA-N 1 0 232.352 3.523 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000309400485 384034151 /nfs/dbraw/zinc/03/41/51/384034151.db2.gz HHKSWSOTGQDEPI-SNVBAGLBSA-N 1 0 232.352 3.523 20 30 BHEDRO C=C[C@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000309405700 383977526 /nfs/dbraw/zinc/97/75/26/383977526.db2.gz HYFAMAYBPXHVEL-JTQLQIEISA-N 1 0 241.737 3.576 20 30 BHEDRO C=C[C@@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000309405702 527414879 /nfs/dbraw/zinc/41/48/79/527414879.db2.gz HYFAMAYBPXHVEL-SNVBAGLBSA-N 1 0 241.737 3.576 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000309407422 383978392 /nfs/dbraw/zinc/97/83/92/383978392.db2.gz XKXXEEPMTUOTRU-HNNXBMFYSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000309407423 383977655 /nfs/dbraw/zinc/97/76/55/383977655.db2.gz XKXXEEPMTUOTRU-OAHLLOKOSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000309409043 383976541 /nfs/dbraw/zinc/97/65/41/383976541.db2.gz BKLHJIOCPQMFIY-CYBMUJFWSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000309409046 527162267 /nfs/dbraw/zinc/16/22/67/527162267.db2.gz BKLHJIOCPQMFIY-ZDUSSCGKSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CCC[NH2+][C@@H](CCC=C)c1ccccc1 ZINC000309409239 385573041 /nfs/dbraw/zinc/57/30/41/385573041.db2.gz XRGKZGMQIMZLOL-HNNXBMFYSA-N 1 0 215.340 3.860 20 30 BHEDRO C=CCC[NH2+][C@H](CCC=C)c1ccccc1 ZINC000309409241 385572689 /nfs/dbraw/zinc/57/26/89/385572689.db2.gz XRGKZGMQIMZLOL-OAHLLOKOSA-N 1 0 215.340 3.860 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000309410074 632049277 /nfs/dbraw/zinc/04/92/77/632049277.db2.gz XUCKQFODCDIXBI-CYBMUJFWSA-N 1 0 241.737 3.865 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000309410075 633028240 /nfs/dbraw/zinc/02/82/40/633028240.db2.gz XUCKQFODCDIXBI-ZDUSSCGKSA-N 1 0 241.737 3.865 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(Cl)cc1F ZINC000309410703 383976858 /nfs/dbraw/zinc/97/68/58/383976858.db2.gz BSOVFNRKGRTZSM-GFCCVEGCSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(Cl)cc1F ZINC000309410706 383978737 /nfs/dbraw/zinc/97/87/37/383978737.db2.gz BSOVFNRKGRTZSM-LBPRGKRZSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309413014 383981936 /nfs/dbraw/zinc/98/19/36/383981936.db2.gz IVJZZNMKVMHLME-GHMZBOCLSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309413017 527033379 /nfs/dbraw/zinc/03/33/79/527033379.db2.gz IVJZZNMKVMHLME-MNOVXSKESA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309413019 383982258 /nfs/dbraw/zinc/98/22/58/383982258.db2.gz IVJZZNMKVMHLME-QWRGUYRKSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309413022 383980556 /nfs/dbraw/zinc/98/05/56/383980556.db2.gz IVJZZNMKVMHLME-WDEREUQCSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1cncs1 ZINC000309413749 633032954 /nfs/dbraw/zinc/03/29/54/633032954.db2.gz YMAFZUZZTCVNCA-UHFFFAOYSA-N 1 0 238.400 3.759 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(CCC)c1 ZINC000309413939 383980265 /nfs/dbraw/zinc/98/02/65/383980265.db2.gz CFSOTJNADLXOJN-CYBMUJFWSA-N 1 0 217.356 3.693 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cccc(CCC)c1 ZINC000309413941 383982398 /nfs/dbraw/zinc/98/23/98/383982398.db2.gz CFSOTJNADLXOJN-ZDUSSCGKSA-N 1 0 217.356 3.693 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309413955 383981000 /nfs/dbraw/zinc/98/10/00/383981000.db2.gz CGDBIRAJNZJTSN-AVGNSLFASA-N 1 0 241.444 3.851 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309413958 527165060 /nfs/dbraw/zinc/16/50/60/527165060.db2.gz CGDBIRAJNZJTSN-RWMBFGLXSA-N 1 0 241.444 3.851 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309413960 383982128 /nfs/dbraw/zinc/98/21/28/383982128.db2.gz CGDBIRAJNZJTSN-XQQFMLRXSA-N 1 0 241.444 3.851 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309413963 383982305 /nfs/dbraw/zinc/98/23/05/383982305.db2.gz CGDBIRAJNZJTSN-YNEHKIRRSA-N 1 0 241.444 3.851 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1ccco1 ZINC000309419384 633043197 /nfs/dbraw/zinc/04/31/97/633043197.db2.gz ZIZUXFJKSSGITO-UHFFFAOYSA-N 1 0 221.344 3.896 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000309419908 323396423 /nfs/dbraw/zinc/39/64/23/323396423.db2.gz JSJMYUQUPQBVOH-AWEZNQCLSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000309419911 323395994 /nfs/dbraw/zinc/39/59/94/323395994.db2.gz JSJMYUQUPQBVOH-CQSZACIVSA-N 1 0 221.388 3.757 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000309420953 633047394 /nfs/dbraw/zinc/04/73/94/633047394.db2.gz ZPDBGERLHAVPHN-AWEZNQCLSA-N 1 0 235.758 3.650 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000309420956 711697694 /nfs/dbraw/zinc/69/76/94/711697694.db2.gz ZPDBGERLHAVPHN-CQSZACIVSA-N 1 0 235.758 3.650 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000309424593 384047391 /nfs/dbraw/zinc/04/73/91/384047391.db2.gz KEZSHCNWWSMHFD-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000309424597 384046446 /nfs/dbraw/zinc/04/64/46/384046446.db2.gz KEZSHCNWWSMHFD-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)CCCC(C)(C)C#N ZINC000309428801 384044041 /nfs/dbraw/zinc/04/40/41/384044041.db2.gz MBTGIVSOBNJZCX-CYBMUJFWSA-N 1 0 224.392 3.827 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)CCCC(C)(C)C#N ZINC000309428804 384042787 /nfs/dbraw/zinc/04/27/87/384042787.db2.gz MBTGIVSOBNJZCX-ZDUSSCGKSA-N 1 0 224.392 3.827 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)cc1C ZINC000309429722 384041244 /nfs/dbraw/zinc/04/12/44/384041244.db2.gz FZJGNWNPOCBPCH-HNNXBMFYSA-N 1 0 217.356 3.748 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)cc1C ZINC000309429726 322903821 /nfs/dbraw/zinc/90/38/21/322903821.db2.gz FZJGNWNPOCBPCH-OAHLLOKOSA-N 1 0 217.356 3.748 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(F)c(C)c1 ZINC000309434713 384075611 /nfs/dbraw/zinc/07/56/11/384075611.db2.gz GXRGAAWUKODVII-CYBMUJFWSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(F)c(C)c1 ZINC000309434714 256525393 /nfs/dbraw/zinc/52/53/93/256525393.db2.gz GXRGAAWUKODVII-ZDUSSCGKSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(C)c1C ZINC000309438751 527162541 /nfs/dbraw/zinc/16/25/41/527162541.db2.gz HYUZGBOUXOPGCF-HNNXBMFYSA-N 1 0 217.356 3.748 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(C)c1C ZINC000309438752 384077308 /nfs/dbraw/zinc/07/73/08/384077308.db2.gz HYUZGBOUXOPGCF-OAHLLOKOSA-N 1 0 217.356 3.748 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000309457223 384089837 /nfs/dbraw/zinc/08/98/37/384089837.db2.gz MWMCHQNFVXGINS-HNNXBMFYSA-N 1 0 217.356 3.748 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000309457224 384089577 /nfs/dbraw/zinc/08/95/77/384089577.db2.gz MWMCHQNFVXGINS-OAHLLOKOSA-N 1 0 217.356 3.748 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000309460680 632100429 /nfs/dbraw/zinc/10/04/29/632100429.db2.gz NVPZRBCCYSOFAP-BFHYXJOUSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000309460682 633092485 /nfs/dbraw/zinc/09/24/85/633092485.db2.gz NVPZRBCCYSOFAP-MCIONIFRSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000309460683 633093051 /nfs/dbraw/zinc/09/30/51/633093051.db2.gz NVPZRBCCYSOFAP-MGPQQGTHSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000309460684 632100197 /nfs/dbraw/zinc/10/01/97/632100197.db2.gz NVPZRBCCYSOFAP-MJBXVCDLSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC(C)(C)OC ZINC000309463062 632100606 /nfs/dbraw/zinc/10/06/06/632100606.db2.gz OLCKTMTURFWAAO-CYBMUJFWSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC(C)(C)OC ZINC000309463063 632099325 /nfs/dbraw/zinc/09/93/25/632099325.db2.gz OLCKTMTURFWAAO-ZDUSSCGKSA-N 1 0 227.392 3.526 20 30 BHEDRO C=C[C@@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000309466012 398280189 /nfs/dbraw/zinc/28/01/89/398280189.db2.gz PWHIINHCPDMTEO-KPPDAEKUSA-N 1 0 235.293 3.519 20 30 BHEDRO C=C[C@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000309466013 384092019 /nfs/dbraw/zinc/09/20/19/384092019.db2.gz PWHIINHCPDMTEO-WHXUTIOJSA-N 1 0 235.293 3.519 20 30 BHEDRO CCCCCCCC[NH2+][C@@]1(CC)CCOC1 ZINC000309466971 633110464 /nfs/dbraw/zinc/11/04/64/633110464.db2.gz PPLRMAMWDJVNHA-AWEZNQCLSA-N 1 0 227.392 3.506 20 30 BHEDRO CCCCCCCC[NH2+][C@]1(CC)CCOC1 ZINC000309466972 633923793 /nfs/dbraw/zinc/92/37/93/633923793.db2.gz PPLRMAMWDJVNHA-CQSZACIVSA-N 1 0 227.392 3.506 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(F)ccc1C ZINC000309470255 384089850 /nfs/dbraw/zinc/08/98/50/384089850.db2.gz QNJXGYWPEAOMPB-AWEZNQCLSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(F)ccc1C ZINC000309470256 384089133 /nfs/dbraw/zinc/08/91/33/384089133.db2.gz QNJXGYWPEAOMPB-CQSZACIVSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(CC)cc1 ZINC000309475145 384091639 /nfs/dbraw/zinc/09/16/39/384091639.db2.gz RPRGBOICRULWKM-HNNXBMFYSA-N 1 0 217.356 3.693 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(CC)cc1 ZINC000309475146 384092210 /nfs/dbraw/zinc/09/22/10/384092210.db2.gz RPRGBOICRULWKM-OAHLLOKOSA-N 1 0 217.356 3.693 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000309476604 633139733 /nfs/dbraw/zinc/13/97/33/633139733.db2.gz CEGSMDAAKOPFMU-AWEZNQCLSA-N 1 0 235.758 3.870 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000309476605 711698502 /nfs/dbraw/zinc/69/85/02/711698502.db2.gz CEGSMDAAKOPFMU-CQSZACIVSA-N 1 0 235.758 3.870 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000309484703 259313909 /nfs/dbraw/zinc/31/39/09/259313909.db2.gz VADKVSAREPJZEG-LLVKDONJSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000309484704 259313892 /nfs/dbraw/zinc/31/38/92/259313892.db2.gz VADKVSAREPJZEG-NSHDSACASA-N 1 0 241.737 3.923 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000309497026 384099080 /nfs/dbraw/zinc/09/90/80/384099080.db2.gz UDCYHKLTDNHSBJ-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000309497028 384099104 /nfs/dbraw/zinc/09/91/04/384099104.db2.gz UDCYHKLTDNHSBJ-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000309500700 262721658 /nfs/dbraw/zinc/72/16/58/262721658.db2.gz UVEGNZJZNUYOID-QJPTWQEYSA-N 1 0 237.774 3.996 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000309500701 384099841 /nfs/dbraw/zinc/09/98/41/384099841.db2.gz UVEGNZJZNUYOID-SDDRHHMPSA-N 1 0 237.774 3.996 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000309500702 384101004 /nfs/dbraw/zinc/10/10/04/384101004.db2.gz UVEGNZJZNUYOID-SRVKXCTJSA-N 1 0 237.774 3.996 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000309500703 384100310 /nfs/dbraw/zinc/10/03/10/384100310.db2.gz UVEGNZJZNUYOID-TUAOUCFPSA-N 1 0 237.774 3.996 20 30 BHEDRO CC1(C[NH2+]CCCCC#N)CCCCCC1 ZINC000309501342 385638197 /nfs/dbraw/zinc/63/81/97/385638197.db2.gz VAUDGGIVJLAOIP-UHFFFAOYSA-N 1 0 222.376 3.630 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C/C=C/c1ccccc1 ZINC000309501375 384113924 /nfs/dbraw/zinc/11/39/24/384113924.db2.gz ZUAOURSWIMWIOM-INDWDQIESA-N 1 0 215.340 3.644 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C/C=C/c1ccccc1 ZINC000309501376 384114287 /nfs/dbraw/zinc/11/42/87/384114287.db2.gz ZUAOURSWIMWIOM-JQVXPOPVSA-N 1 0 215.340 3.644 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C/C=C\c1ccccc1 ZINC000309501377 322905645 /nfs/dbraw/zinc/90/56/45/322905645.db2.gz ZUAOURSWIMWIOM-LDCOFTPGSA-N 1 0 215.340 3.644 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C/C=C\c1ccccc1 ZINC000309501379 384115020 /nfs/dbraw/zinc/11/50/20/384115020.db2.gz ZUAOURSWIMWIOM-PINLSGDHSA-N 1 0 215.340 3.644 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000309504342 384114994 /nfs/dbraw/zinc/11/49/94/384114994.db2.gz BNNZZURRUFANSU-JTQLQIEISA-N 1 0 232.352 3.523 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000309504343 384115011 /nfs/dbraw/zinc/11/50/11/384115011.db2.gz BNNZZURRUFANSU-SNVBAGLBSA-N 1 0 232.352 3.523 20 30 BHEDRO C#CCCC[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000309506064 633180646 /nfs/dbraw/zinc/18/06/46/633180646.db2.gz VWOIKSJMSGPKPS-AWEZNQCLSA-N 1 0 221.388 3.596 20 30 BHEDRO C#CCCC[NH2+]C[C@H](C)CC1CCCCC1 ZINC000309506065 632435643 /nfs/dbraw/zinc/43/56/43/632435643.db2.gz VWOIKSJMSGPKPS-CQSZACIVSA-N 1 0 221.388 3.596 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccoc1 ZINC000309506275 632435748 /nfs/dbraw/zinc/43/57/48/632435748.db2.gz CARWAHVVCMNCDT-CYBMUJFWSA-N 1 0 221.344 3.894 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccoc1 ZINC000309506277 632434538 /nfs/dbraw/zinc/43/45/38/632434538.db2.gz CARWAHVVCMNCDT-ZDUSSCGKSA-N 1 0 221.344 3.894 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000309507385 527416521 /nfs/dbraw/zinc/41/65/21/527416521.db2.gz WHRPLHJMXXCQAK-BXUZGUMPSA-N 1 0 215.340 3.573 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000309507387 384113432 /nfs/dbraw/zinc/11/34/32/384113432.db2.gz WHRPLHJMXXCQAK-FZMZJTMJSA-N 1 0 215.340 3.573 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000309507388 384113437 /nfs/dbraw/zinc/11/34/37/384113437.db2.gz WHRPLHJMXXCQAK-RISCZKNCSA-N 1 0 215.340 3.573 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000309507389 384114744 /nfs/dbraw/zinc/11/47/44/384114744.db2.gz WHRPLHJMXXCQAK-SMDDNHRTSA-N 1 0 215.340 3.573 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000309509565 527235851 /nfs/dbraw/zinc/23/58/51/527235851.db2.gz WWGMGBJHIHGHPF-LLVKDONJSA-N 1 0 235.396 3.854 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000309509566 384114584 /nfs/dbraw/zinc/11/45/84/384114584.db2.gz WWGMGBJHIHGHPF-NSHDSACASA-N 1 0 235.396 3.854 20 30 BHEDRO C#CCCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000309525643 633945673 /nfs/dbraw/zinc/94/56/73/633945673.db2.gz BBIQWORXRGZECD-UHFFFAOYSA-N 1 0 235.758 3.578 20 30 BHEDRO C=CCCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000309526623 388455898 /nfs/dbraw/zinc/45/58/98/388455898.db2.gz BEHFCQWROQNXJJ-OWBHPGMISA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000309526624 388455966 /nfs/dbraw/zinc/45/59/66/388455966.db2.gz BEHFCQWROQNXJJ-WYMLVPIESA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309529188 527424036 /nfs/dbraw/zinc/42/40/36/527424036.db2.gz DBZNJSWZGZACRL-LLVKDONJSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000309529189 527464488 /nfs/dbraw/zinc/46/44/88/527464488.db2.gz DBZNJSWZGZACRL-NSHDSACASA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(C)(C)C)c1ccco1 ZINC000309530437 527447210 /nfs/dbraw/zinc/44/72/10/527447210.db2.gz DHCMNQAVIRYQHX-GFCCVEGCSA-N 1 0 221.344 3.923 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(C)(C)C)c1ccco1 ZINC000309530439 384116251 /nfs/dbraw/zinc/11/62/51/384116251.db2.gz DHCMNQAVIRYQHX-LBPRGKRZSA-N 1 0 221.344 3.923 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC1CC1)c1ccco1 ZINC000309530610 491150115 /nfs/dbraw/zinc/15/01/15/491150115.db2.gz BQFSENNVAXYNNH-CYBMUJFWSA-N 1 0 219.328 3.677 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC1CC1)c1ccco1 ZINC000309530613 491150092 /nfs/dbraw/zinc/15/00/92/491150092.db2.gz BQFSENNVAXYNNH-ZDUSSCGKSA-N 1 0 219.328 3.677 20 30 BHEDRO CC(C)(C#N)CC[NH2+]C(C)(C)c1cccs1 ZINC000309532446 388456500 /nfs/dbraw/zinc/45/65/00/388456500.db2.gz CCUPUZYSWJZMGJ-UHFFFAOYSA-N 1 0 236.384 3.513 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccco1 ZINC000309533760 633188565 /nfs/dbraw/zinc/18/85/65/633188565.db2.gz DQYFMOKWLFFCLD-CYBMUJFWSA-N 1 0 221.344 3.894 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccco1 ZINC000309533761 632475871 /nfs/dbraw/zinc/47/58/71/632475871.db2.gz DQYFMOKWLFFCLD-ZDUSSCGKSA-N 1 0 221.344 3.894 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309539563 388456257 /nfs/dbraw/zinc/45/62/57/388456257.db2.gz FPFIWOZFXXODMF-NEPJUHHUSA-N 1 0 237.774 3.998 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309539568 388456550 /nfs/dbraw/zinc/45/65/50/388456550.db2.gz FPFIWOZFXXODMF-NWDGAFQWSA-N 1 0 237.774 3.998 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309539576 527138068 /nfs/dbraw/zinc/13/80/68/527138068.db2.gz FPFIWOZFXXODMF-RYUDHWBXSA-N 1 0 237.774 3.998 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309539581 388456921 /nfs/dbraw/zinc/45/69/21/388456921.db2.gz FPFIWOZFXXODMF-VXGBXAGGSA-N 1 0 237.774 3.998 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000309539633 633192979 /nfs/dbraw/zinc/19/29/79/633192979.db2.gz FPSNNJCRLDPGGW-XBFCOCLRSA-N 1 0 235.758 3.521 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000309540324 633946829 /nfs/dbraw/zinc/94/68/29/633946829.db2.gz FRYITNWADVUVBI-HZSPNIEDSA-N 1 0 241.444 3.853 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000309542766 633194502 /nfs/dbraw/zinc/19/45/02/633194502.db2.gz GSUVYQBXUUDALX-UHFFFAOYSA-N 1 0 221.319 3.617 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000309543315 388456588 /nfs/dbraw/zinc/45/65/88/388456588.db2.gz GHWFDUUAWLVZKG-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000309543317 388456639 /nfs/dbraw/zinc/45/66/39/388456639.db2.gz GHWFDUUAWLVZKG-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000309547531 388456601 /nfs/dbraw/zinc/45/66/01/388456601.db2.gz CGUCRTLEUAGQGI-UHFFFAOYSA-N 1 0 235.758 3.885 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCC(F)(F)F)C1CC1 ZINC000309549954 384121454 /nfs/dbraw/zinc/12/14/54/384121454.db2.gz FNNBHLXQSSGAAH-LLVKDONJSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCC(F)(F)F)C1CC1 ZINC000309549956 384122418 /nfs/dbraw/zinc/12/24/18/384122418.db2.gz FNNBHLXQSSGAAH-NSHDSACASA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000309550210 384122385 /nfs/dbraw/zinc/12/23/85/384122385.db2.gz HYWNCRMXJXCFMH-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000309550211 384903098 /nfs/dbraw/zinc/90/30/98/384903098.db2.gz HYWNCRMXJXCFMH-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)CSC(C)(C)C)C(C)(C)C ZINC000309555047 633199793 /nfs/dbraw/zinc/19/97/93/633199793.db2.gz JLKWGXPFPCJSFY-NEPJUHHUSA-N 1 0 241.444 3.544 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C(C)(C)C ZINC000309555048 632493691 /nfs/dbraw/zinc/49/36/91/632493691.db2.gz JLKWGXPFPCJSFY-NWDGAFQWSA-N 1 0 241.444 3.544 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)CSC(C)(C)C)C(C)(C)C ZINC000309555049 633952104 /nfs/dbraw/zinc/95/21/04/633952104.db2.gz JLKWGXPFPCJSFY-RYUDHWBXSA-N 1 0 241.444 3.544 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C(C)(C)C ZINC000309555050 633199640 /nfs/dbraw/zinc/19/96/40/633199640.db2.gz JLKWGXPFPCJSFY-VXGBXAGGSA-N 1 0 241.444 3.544 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000309561831 632530338 /nfs/dbraw/zinc/53/03/38/632530338.db2.gz LGVFDQLNPBBAAZ-NEPJUHHUSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000309561833 633199281 /nfs/dbraw/zinc/19/92/81/633199281.db2.gz LGVFDQLNPBBAAZ-NWDGAFQWSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000309561834 632532715 /nfs/dbraw/zinc/53/27/15/632532715.db2.gz LGVFDQLNPBBAAZ-RYUDHWBXSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000309561835 632531580 /nfs/dbraw/zinc/53/15/80/632531580.db2.gz LGVFDQLNPBBAAZ-VXGBXAGGSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CCCC1(F)F)C1CC1 ZINC000309562861 491151692 /nfs/dbraw/zinc/15/16/92/491151692.db2.gz JYFPWEYGCWUOBF-NEPJUHHUSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCCC1(F)F)C1CC1 ZINC000309562862 491151664 /nfs/dbraw/zinc/15/16/64/491151664.db2.gz JYFPWEYGCWUOBF-NWDGAFQWSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CCCC1(F)F)C1CC1 ZINC000309563330 491151661 /nfs/dbraw/zinc/15/16/61/491151661.db2.gz JYFPWEYGCWUOBF-RYUDHWBXSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCC1(F)F)C1CC1 ZINC000309563331 491151675 /nfs/dbraw/zinc/15/16/75/491151675.db2.gz JYFPWEYGCWUOBF-VXGBXAGGSA-N 1 0 229.314 3.509 20 30 BHEDRO C#CCC[NH2+][C@H](C)c1csc2ccccc12 ZINC000309564544 632533504 /nfs/dbraw/zinc/53/35/04/632533504.db2.gz LWRBSQPOQWOOKL-LLVKDONJSA-N 1 0 229.348 3.575 20 30 BHEDRO C#CCC[NH2+][C@@H](C)c1csc2ccccc12 ZINC000309564545 711699492 /nfs/dbraw/zinc/69/94/92/711699492.db2.gz LWRBSQPOQWOOKL-NSHDSACASA-N 1 0 229.348 3.575 20 30 BHEDRO N#CCCCC[NH2+]CCC1CCCCCC1 ZINC000309572472 385703008 /nfs/dbraw/zinc/70/30/08/385703008.db2.gz NMAFZDVFADFIOW-UHFFFAOYSA-N 1 0 222.376 3.630 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cscn1 ZINC000309572828 632536538 /nfs/dbraw/zinc/53/65/38/632536538.db2.gz OBQVZUYTVYARIF-GFCCVEGCSA-N 1 0 238.400 3.758 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cscn1 ZINC000309572830 633956858 /nfs/dbraw/zinc/95/68/58/633956858.db2.gz OBQVZUYTVYARIF-LBPRGKRZSA-N 1 0 238.400 3.758 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(=C)c1ccccc1 ZINC000309574498 388457548 /nfs/dbraw/zinc/45/75/48/388457548.db2.gz OMJIWEPGQBTSMV-AWEZNQCLSA-N 1 0 215.340 3.644 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(=C)c1ccccc1 ZINC000309574500 388457439 /nfs/dbraw/zinc/45/74/39/388457439.db2.gz OMJIWEPGQBTSMV-CQSZACIVSA-N 1 0 215.340 3.644 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000309575008 633956992 /nfs/dbraw/zinc/95/69/92/633956992.db2.gz OQGQQNLWOAQLQZ-KBPBESRZSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000309575009 632539212 /nfs/dbraw/zinc/53/92/12/632539212.db2.gz OQGQQNLWOAQLQZ-KGLIPLIRSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000309575010 633203661 /nfs/dbraw/zinc/20/36/61/633203661.db2.gz OQGQQNLWOAQLQZ-UONOGXRCSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000309575012 633202339 /nfs/dbraw/zinc/20/23/39/633202339.db2.gz OQGQQNLWOAQLQZ-ZIAGYGMSSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000309576214 259316996 /nfs/dbraw/zinc/31/69/96/259316996.db2.gz OUOKEQCPBNSYBF-UHFFFAOYSA-N 1 0 231.330 3.756 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000309577206 259316833 /nfs/dbraw/zinc/31/68/33/259316833.db2.gz PIHOZOLNWNAXDQ-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000309577207 259316773 /nfs/dbraw/zinc/31/67/73/259316773.db2.gz PIHOZOLNWNAXDQ-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000309577384 633204127 /nfs/dbraw/zinc/20/41/27/633204127.db2.gz PJYXRVCHWXSIAS-LLVKDONJSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000309577386 632542727 /nfs/dbraw/zinc/54/27/27/632542727.db2.gz PJYXRVCHWXSIAS-NSHDSACASA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000309582148 633206092 /nfs/dbraw/zinc/20/60/92/633206092.db2.gz QQTYLACYFQPTAZ-KBPBESRZSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000309582149 632546637 /nfs/dbraw/zinc/54/66/37/632546637.db2.gz QQTYLACYFQPTAZ-KGLIPLIRSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000309582150 632546502 /nfs/dbraw/zinc/54/65/02/632546502.db2.gz QQTYLACYFQPTAZ-UONOGXRCSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000309582151 632548213 /nfs/dbraw/zinc/54/82/13/632548213.db2.gz QQTYLACYFQPTAZ-ZIAGYGMSSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000309582427 388458382 /nfs/dbraw/zinc/45/83/82/388458382.db2.gz QUFMWQXNKOJFAL-BYNSBNAKSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000309582429 527465890 /nfs/dbraw/zinc/46/58/90/527465890.db2.gz QUFMWQXNKOJFAL-GBJTYRQASA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000309582432 388458155 /nfs/dbraw/zinc/45/81/55/388458155.db2.gz QUFMWQXNKOJFAL-LJISPDSOSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000309582434 388458207 /nfs/dbraw/zinc/45/82/07/388458207.db2.gz QUFMWQXNKOJFAL-ZQDZILKHSA-N 1 0 221.388 3.900 20 30 BHEDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000309599010 388458783 /nfs/dbraw/zinc/45/87/83/388458783.db2.gz JLIGOYWWDMMJKD-CHWSQXEVSA-N 1 0 224.392 3.587 20 30 BHEDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC(C)(C)C#N ZINC000309599011 388459128 /nfs/dbraw/zinc/45/91/28/388459128.db2.gz JLIGOYWWDMMJKD-OLZOCXBDSA-N 1 0 224.392 3.587 20 30 BHEDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000309599012 388459133 /nfs/dbraw/zinc/45/91/33/388459133.db2.gz JLIGOYWWDMMJKD-QWHCGFSZSA-N 1 0 224.392 3.587 20 30 BHEDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC(C)(C)C#N ZINC000309599014 388458776 /nfs/dbraw/zinc/45/87/76/388458776.db2.gz JLIGOYWWDMMJKD-STQMWFEESA-N 1 0 224.392 3.587 20 30 BHEDRO CCCCCCCC[NH2+]C1CC(C(F)F)C1 ZINC000309601089 632580629 /nfs/dbraw/zinc/58/06/29/632580629.db2.gz XRVYMBCNHNEOFX-UHFFFAOYSA-N 1 0 233.346 3.980 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000309608876 633211415 /nfs/dbraw/zinc/21/14/15/633211415.db2.gz ZJQYTEMWFGSMLK-NXEZZACHSA-N 1 0 239.746 3.579 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000309608878 632581971 /nfs/dbraw/zinc/58/19/71/632581971.db2.gz ZJQYTEMWFGSMLK-VHSXEESVSA-N 1 0 239.746 3.579 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000309608879 632582856 /nfs/dbraw/zinc/58/28/56/632582856.db2.gz ZJQYTEMWFGSMLK-ZJUUUORDSA-N 1 0 239.746 3.579 20 30 BHEDRO C=CCCC[NH2+]CCc1ccc(F)cc1Cl ZINC000309609082 384168550 /nfs/dbraw/zinc/16/85/50/384168550.db2.gz YWDGVAASEGNFBU-UHFFFAOYSA-N 1 0 241.737 3.577 20 30 BHEDRO C=CCC[C@H]([NH2+]CCSCC(C)C)C1CC1 ZINC000309612363 388459068 /nfs/dbraw/zinc/45/90/68/388459068.db2.gz MYIOAJWLGQQOIN-AWEZNQCLSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCSCC(C)C)C1CC1 ZINC000309612367 388459138 /nfs/dbraw/zinc/45/91/38/388459138.db2.gz MYIOAJWLGQQOIN-CQSZACIVSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1SCC ZINC000309613394 384167508 /nfs/dbraw/zinc/16/75/08/384167508.db2.gz CDSYORHNUFJWMB-BFHYXJOUSA-N 1 0 241.444 3.995 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1SCC ZINC000309613396 384167315 /nfs/dbraw/zinc/16/73/15/384167315.db2.gz CDSYORHNUFJWMB-IHRRRGAJSA-N 1 0 241.444 3.995 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1SCC ZINC000309613398 384167614 /nfs/dbraw/zinc/16/76/14/384167614.db2.gz CDSYORHNUFJWMB-MELADBBJSA-N 1 0 241.444 3.995 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000309613400 384168224 /nfs/dbraw/zinc/16/82/24/384168224.db2.gz CDSYORHNUFJWMB-MJBXVCDLSA-N 1 0 241.444 3.995 20 30 BHEDRO CCCCCC[C@H]1CCC[C@@H]1[NH2+]CCC#N ZINC000309617769 633212710 /nfs/dbraw/zinc/21/27/10/633212710.db2.gz CFGBFGFUBOYPAN-KBPBESRZSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCC[C@@H]1CCC[C@@H]1[NH2+]CCC#N ZINC000309617770 633974179 /nfs/dbraw/zinc/97/41/79/633974179.db2.gz CFGBFGFUBOYPAN-KGLIPLIRSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCC[C@H]1CCC[C@H]1[NH2+]CCC#N ZINC000309617771 711654903 /nfs/dbraw/zinc/65/49/03/711654903.db2.gz CFGBFGFUBOYPAN-UONOGXRCSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCC[C@@H]1CCC[C@H]1[NH2+]CCC#N ZINC000309617772 711654975 /nfs/dbraw/zinc/65/49/75/711654975.db2.gz CFGBFGFUBOYPAN-ZIAGYGMSSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000309620047 384168764 /nfs/dbraw/zinc/16/87/64/384168764.db2.gz DBCBWXBYRQKTQC-HNNXBMFYSA-N 1 0 215.340 3.612 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000309620048 384167887 /nfs/dbraw/zinc/16/78/87/384167887.db2.gz DBCBWXBYRQKTQC-OAHLLOKOSA-N 1 0 215.340 3.612 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C(C)C)CC1)C1CC1 ZINC000309622007 384182799 /nfs/dbraw/zinc/18/27/99/384182799.db2.gz PEZXIVDXEYRIDV-AWEZNQCLSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(C(C)C)CC1)C1CC1 ZINC000309622008 384182639 /nfs/dbraw/zinc/18/26/39/384182639.db2.gz PEZXIVDXEYRIDV-CQSZACIVSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCc2occc21 ZINC000309624069 347123427 /nfs/dbraw/zinc/12/34/27/347123427.db2.gz FGHFZKVOIKFLKR-AAEUAGOBSA-N 1 0 219.328 3.601 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCc2occc21 ZINC000309624071 347123059 /nfs/dbraw/zinc/12/30/59/347123059.db2.gz FGHFZKVOIKFLKR-DGCLKSJQSA-N 1 0 219.328 3.601 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCc2occc21 ZINC000309624074 534380135 /nfs/dbraw/zinc/38/01/35/534380135.db2.gz FGHFZKVOIKFLKR-WCQYABFASA-N 1 0 219.328 3.601 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCc2occc21 ZINC000309624076 347123457 /nfs/dbraw/zinc/12/34/57/347123457.db2.gz FGHFZKVOIKFLKR-YPMHNXCESA-N 1 0 219.328 3.601 20 30 BHEDRO C=CCCCCC[NH2+]Cc1sc(C)nc1C ZINC000309625901 358948784 /nfs/dbraw/zinc/94/87/84/358948784.db2.gz QCJIYDIBNOBAFQ-UHFFFAOYSA-N 1 0 238.400 3.596 20 30 BHEDRO CC[C@@H]([NH2+]CCCC(C)(C)C#N)C(C)(C)C ZINC000309628291 384185703 /nfs/dbraw/zinc/18/57/03/384185703.db2.gz GJBYETVOATWALH-GFCCVEGCSA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@H]([NH2+]CCCC(C)(C)C#N)C(C)(C)C ZINC000309628292 529596050 /nfs/dbraw/zinc/59/60/50/529596050.db2.gz GJBYETVOATWALH-LBPRGKRZSA-N 1 0 224.392 3.731 20 30 BHEDRO C=C(C)CC[NH2+]C1(c2ccccc2)CCC1 ZINC000309629993 384185117 /nfs/dbraw/zinc/18/51/17/384185117.db2.gz QYORQYPSQTUSAZ-UHFFFAOYSA-N 1 0 215.340 3.622 20 30 BHEDRO C=CC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000309636445 385762608 /nfs/dbraw/zinc/76/26/08/385762608.db2.gz SRHLDAZODOWHNP-HNNXBMFYSA-N 1 0 217.356 3.858 20 30 BHEDRO C=CC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000309636446 385763047 /nfs/dbraw/zinc/76/30/47/385763047.db2.gz SRHLDAZODOWHNP-OAHLLOKOSA-N 1 0 217.356 3.858 20 30 BHEDRO CCCCCCC[NH2+]Cc1sc(C)nc1C ZINC000309637090 633977562 /nfs/dbraw/zinc/97/75/62/633977562.db2.gz SXVDRYKCBRHVLV-UHFFFAOYSA-N 1 0 240.416 3.820 20 30 BHEDRO C=C(CC)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000309646223 388459380 /nfs/dbraw/zinc/45/93/80/388459380.db2.gz WDLPNZHGKSINMS-UHFFFAOYSA-N 1 0 235.758 3.885 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000309648306 384192697 /nfs/dbraw/zinc/19/26/97/384192697.db2.gz RHIZTTCQJFTLSH-AWEZNQCLSA-N 1 0 235.758 3.883 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000309648308 384192627 /nfs/dbraw/zinc/19/26/27/384192627.db2.gz RHIZTTCQJFTLSH-CQSZACIVSA-N 1 0 235.758 3.883 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000309648654 384689366 /nfs/dbraw/zinc/68/93/66/384689366.db2.gz WXJDRJREBXHDLY-UHFFFAOYSA-N 1 0 238.400 3.551 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000309653024 491153726 /nfs/dbraw/zinc/15/37/26/491153726.db2.gz YHGXHSVTVBOWDH-CMPLNLGQSA-N 1 0 235.396 3.817 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000309653025 491153743 /nfs/dbraw/zinc/15/37/43/491153743.db2.gz YHGXHSVTVBOWDH-JQWIXIFHSA-N 1 0 235.396 3.817 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000309653027 491153720 /nfs/dbraw/zinc/15/37/20/491153720.db2.gz YHGXHSVTVBOWDH-PWSUYJOCSA-N 1 0 235.396 3.817 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000309653028 491153722 /nfs/dbraw/zinc/15/37/22/491153722.db2.gz YHGXHSVTVBOWDH-ZYHUDNBSSA-N 1 0 235.396 3.817 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000309653042 526456048 /nfs/dbraw/zinc/45/60/48/526456048.db2.gz YHVQSYCIRVZLSD-HNNXBMFYSA-N 1 0 215.340 3.694 20 30 BHEDRO C=C(C)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000309653043 526456882 /nfs/dbraw/zinc/45/68/82/526456882.db2.gz YHVQSYCIRVZLSD-OAHLLOKOSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccco1 ZINC000309657607 347131891 /nfs/dbraw/zinc/13/18/91/347131891.db2.gz AGQCZPFQQQENKR-WCQYABFASA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccco1 ZINC000309657614 347131645 /nfs/dbraw/zinc/13/16/45/347131645.db2.gz AGQCZPFQQQENKR-YPMHNXCESA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309666322 527171044 /nfs/dbraw/zinc/17/10/44/527171044.db2.gz HYJGATZWWDBAIK-CHWSQXEVSA-N 1 0 241.444 3.853 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309666323 384193855 /nfs/dbraw/zinc/19/38/55/384193855.db2.gz HYJGATZWWDBAIK-OLZOCXBDSA-N 1 0 241.444 3.853 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309666324 384194787 /nfs/dbraw/zinc/19/47/87/384194787.db2.gz HYJGATZWWDBAIK-QWHCGFSZSA-N 1 0 241.444 3.853 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309666326 384193359 /nfs/dbraw/zinc/19/33/59/384193359.db2.gz HYJGATZWWDBAIK-STQMWFEESA-N 1 0 241.444 3.853 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)c1ccccc1F ZINC000309673030 527232810 /nfs/dbraw/zinc/23/28/10/527232810.db2.gz KSOROSKDHMJUIX-UHFFFAOYSA-N 1 0 221.319 3.617 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC(C)C)c1ccco1 ZINC000309674426 388460766 /nfs/dbraw/zinc/46/07/66/388460766.db2.gz LDKKYYACSLOTTJ-CYBMUJFWSA-N 1 0 221.344 3.923 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC(C)C)c1ccco1 ZINC000309674427 388460814 /nfs/dbraw/zinc/46/08/14/388460814.db2.gz LDKKYYACSLOTTJ-ZDUSSCGKSA-N 1 0 221.344 3.923 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000309684399 388461216 /nfs/dbraw/zinc/46/12/16/388461216.db2.gz GYXLXDXMBNRYBM-AWEZNQCLSA-N 1 0 217.356 3.858 20 30 BHEDRO C=CC[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000309684405 388461409 /nfs/dbraw/zinc/46/14/09/388461409.db2.gz GYXLXDXMBNRYBM-CQSZACIVSA-N 1 0 217.356 3.858 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000309687577 526626410 /nfs/dbraw/zinc/62/64/10/526626410.db2.gz OPQNEXLJDLBLFL-AWEZNQCLSA-N 1 0 217.356 3.940 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000309687579 388461780 /nfs/dbraw/zinc/46/17/80/388461780.db2.gz OPQNEXLJDLBLFL-CQSZACIVSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1nc(C)sc1C ZINC000309688752 491154427 /nfs/dbraw/zinc/15/44/27/491154427.db2.gz IJETUCMCAFAGSJ-BXKDBHETSA-N 1 0 238.400 3.765 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000309688753 491154449 /nfs/dbraw/zinc/15/44/49/491154449.db2.gz IJETUCMCAFAGSJ-CABZTGNLSA-N 1 0 238.400 3.765 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000309688754 491154440 /nfs/dbraw/zinc/15/44/40/491154440.db2.gz IJETUCMCAFAGSJ-JOYOIKCWSA-N 1 0 238.400 3.765 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1nc(C)sc1C ZINC000309688756 491154456 /nfs/dbraw/zinc/15/44/56/491154456.db2.gz IJETUCMCAFAGSJ-SKDRFNHKSA-N 1 0 238.400 3.765 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000309689422 633227429 /nfs/dbraw/zinc/22/74/29/633227429.db2.gz IROFVWPTCQQCRL-QLFBSQMISA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000309689423 633227795 /nfs/dbraw/zinc/22/77/95/633227795.db2.gz IROFVWPTCQQCRL-RBSFLKMASA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000309689424 633228001 /nfs/dbraw/zinc/22/80/01/633228001.db2.gz IROFVWPTCQQCRL-RRFJBIMHSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000309689429 633988841 /nfs/dbraw/zinc/98/88/41/633988841.db2.gz IROFVWPTCQQCRL-SOUVJXGZSA-N 1 0 221.388 3.594 20 30 BHEDRO C=C(C)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000309691489 384976984 /nfs/dbraw/zinc/97/69/84/384976984.db2.gz PWTASTQNJBWIML-UHFFFAOYSA-N 1 0 235.758 3.885 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000309700439 632653844 /nfs/dbraw/zinc/65/38/44/632653844.db2.gz MMCYHMBUXXGGHU-CMPLNLGQSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000309702958 527164682 /nfs/dbraw/zinc/16/46/82/527164682.db2.gz NHQYNLATCFYRLV-ILXRZTDVSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000309702961 388461600 /nfs/dbraw/zinc/46/16/00/388461600.db2.gz NHQYNLATCFYRLV-KKUMJFAQSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000309702963 384214192 /nfs/dbraw/zinc/21/41/92/384214192.db2.gz NHQYNLATCFYRLV-QLFBSQMISA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000309702966 384213177 /nfs/dbraw/zinc/21/31/77/384213177.db2.gz NHQYNLATCFYRLV-SOUVJXGZSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000309703613 388461521 /nfs/dbraw/zinc/46/15/21/388461521.db2.gz NNQOBGYCLZSKGY-AWEZNQCLSA-N 1 0 217.356 3.858 20 30 BHEDRO C=CC[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000309703615 526677347 /nfs/dbraw/zinc/67/73/47/526677347.db2.gz NNQOBGYCLZSKGY-CQSZACIVSA-N 1 0 217.356 3.858 20 30 BHEDRO C=CCCC[NH2+]Cc1cc2ccccc2s1 ZINC000309705786 384541395 /nfs/dbraw/zinc/54/13/95/384541395.db2.gz VGCGGZFQLDRPQT-UHFFFAOYSA-N 1 0 231.364 3.957 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)C(C)C)c1ccc(Cl)cc1 ZINC000309707166 711662795 /nfs/dbraw/zinc/66/27/95/711662795.db2.gz VWJSKFJHFDAFRL-BXUZGUMPSA-N 1 0 235.758 3.648 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)C(C)C)c1ccc(Cl)cc1 ZINC000309707168 711662775 /nfs/dbraw/zinc/66/27/75/711662775.db2.gz VWJSKFJHFDAFRL-FZMZJTMJSA-N 1 0 235.758 3.648 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)C(C)C)c1ccc(Cl)cc1 ZINC000309707170 633230185 /nfs/dbraw/zinc/23/01/85/633230185.db2.gz VWJSKFJHFDAFRL-RISCZKNCSA-N 1 0 235.758 3.648 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)C(C)C)c1ccc(Cl)cc1 ZINC000309707172 633230085 /nfs/dbraw/zinc/23/00/85/633230085.db2.gz VWJSKFJHFDAFRL-SMDDNHRTSA-N 1 0 235.758 3.648 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCc2c1cccc2C ZINC000309711779 388462515 /nfs/dbraw/zinc/46/25/15/388462515.db2.gz QWEHGAHRQCQDOW-HNNXBMFYSA-N 1 0 215.340 3.538 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000309711780 388462255 /nfs/dbraw/zinc/46/22/55/388462255.db2.gz QWEHGAHRQCQDOW-OAHLLOKOSA-N 1 0 215.340 3.538 20 30 BHEDRO C=CC[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000309712708 388462280 /nfs/dbraw/zinc/46/22/80/388462280.db2.gz RHNRRSDFAPHNFV-UHFFFAOYSA-N 1 0 215.340 3.540 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1CCC1)c1ccco1 ZINC000309712863 347146410 /nfs/dbraw/zinc/14/64/10/347146410.db2.gz XSXUCBAOHSFUJD-CYBMUJFWSA-N 1 0 219.328 3.677 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1CCC1)c1ccco1 ZINC000309712864 347145759 /nfs/dbraw/zinc/14/57/59/347145759.db2.gz XSXUCBAOHSFUJD-ZDUSSCGKSA-N 1 0 219.328 3.677 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)CC(F)(F)F ZINC000309716586 388462355 /nfs/dbraw/zinc/46/23/55/388462355.db2.gz TYOQXHSPXUGWKJ-AXFHLTTASA-N 1 0 237.309 3.908 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)CC(F)(F)F ZINC000309716587 388462252 /nfs/dbraw/zinc/46/22/52/388462252.db2.gz TYOQXHSPXUGWKJ-DCAQKATOSA-N 1 0 237.309 3.908 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)CC(F)(F)F ZINC000309716588 388462397 /nfs/dbraw/zinc/46/23/97/388462397.db2.gz TYOQXHSPXUGWKJ-GARJFASQSA-N 1 0 237.309 3.908 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CC)CC(F)(F)F ZINC000309716589 388461981 /nfs/dbraw/zinc/46/19/81/388461981.db2.gz TYOQXHSPXUGWKJ-HBNTYKKESA-N 1 0 237.309 3.908 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000309721778 384262003 /nfs/dbraw/zinc/26/20/03/384262003.db2.gz BZLKVZZBWPTSIX-QJPTWQEYSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000309721779 384261933 /nfs/dbraw/zinc/26/19/33/384261933.db2.gz BZLKVZZBWPTSIX-SDDRHHMPSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000309721780 527140021 /nfs/dbraw/zinc/14/00/21/527140021.db2.gz BZLKVZZBWPTSIX-SRVKXCTJSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000309721781 384261871 /nfs/dbraw/zinc/26/18/71/384261871.db2.gz BZLKVZZBWPTSIX-TUAOUCFPSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C1CCC(C(F)F)CC1 ZINC000309722190 384261480 /nfs/dbraw/zinc/26/14/80/384261480.db2.gz WJZPNIVLOPIIFW-CXQJBGSLSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C1CCC(C(F)F)CC1 ZINC000309722191 384261939 /nfs/dbraw/zinc/26/19/39/384261939.db2.gz WJZPNIVLOPIIFW-MOENNCHZSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1sccc1OC ZINC000309725905 384261508 /nfs/dbraw/zinc/26/15/08/384261508.db2.gz XZALZPUXCBCQOH-GHMZBOCLSA-N 1 0 239.384 3.762 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1sccc1OC ZINC000309726188 384262200 /nfs/dbraw/zinc/26/22/00/384262200.db2.gz XZALZPUXCBCQOH-MNOVXSKESA-N 1 0 239.384 3.762 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1sccc1OC ZINC000309726189 384261186 /nfs/dbraw/zinc/26/11/86/384261186.db2.gz XZALZPUXCBCQOH-QWRGUYRKSA-N 1 0 239.384 3.762 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1sccc1OC ZINC000309726190 384262764 /nfs/dbraw/zinc/26/27/64/384262764.db2.gz XZALZPUXCBCQOH-WDEREUQCSA-N 1 0 239.384 3.762 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000309726467 384301230 /nfs/dbraw/zinc/30/12/30/384301230.db2.gz DFPUBKUURCHBFU-IZUQBHJASA-N 1 0 235.293 3.518 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000309726470 527033480 /nfs/dbraw/zinc/03/34/80/527033480.db2.gz DFPUBKUURCHBFU-MFQSTILNSA-N 1 0 235.293 3.518 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000309726472 384301155 /nfs/dbraw/zinc/30/11/55/384301155.db2.gz DFPUBKUURCHBFU-NKVNRFPTSA-N 1 0 235.293 3.518 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000309726473 384303800 /nfs/dbraw/zinc/30/38/00/384303800.db2.gz DFPUBKUURCHBFU-SAAXCQNUSA-N 1 0 235.293 3.518 20 30 BHEDRO C#C[C@H]([NH2+]C(CC)CC)c1ccc(Cl)cc1 ZINC000309727727 633995297 /nfs/dbraw/zinc/99/52/97/633995297.db2.gz YMOAQHFOXYFQJX-AWEZNQCLSA-N 1 0 235.758 3.793 20 30 BHEDRO C#C[C@@H]([NH2+]C(CC)CC)c1ccc(Cl)cc1 ZINC000309727729 633995130 /nfs/dbraw/zinc/99/51/30/633995130.db2.gz YMOAQHFOXYFQJX-CQSZACIVSA-N 1 0 235.758 3.793 20 30 BHEDRO C=CCCC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309728648 384311274 /nfs/dbraw/zinc/31/12/74/384311274.db2.gz DUWBOHOWTBITOX-GFCCVEGCSA-N 1 0 237.774 3.999 20 30 BHEDRO C=CCCC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309728649 527233079 /nfs/dbraw/zinc/23/30/79/527233079.db2.gz DUWBOHOWTBITOX-LBPRGKRZSA-N 1 0 237.774 3.999 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000309734947 384572824 /nfs/dbraw/zinc/57/28/24/384572824.db2.gz GEEVTUBXOVFTNK-CHWSQXEVSA-N 1 0 222.376 3.507 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000309734949 134482596 /nfs/dbraw/zinc/48/25/96/134482596.db2.gz GEEVTUBXOVFTNK-OLZOCXBDSA-N 1 0 222.376 3.507 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000309734950 384571731 /nfs/dbraw/zinc/57/17/31/384571731.db2.gz GEEVTUBXOVFTNK-QWHCGFSZSA-N 1 0 222.376 3.507 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000309734952 384573708 /nfs/dbraw/zinc/57/37/08/384573708.db2.gz GEEVTUBXOVFTNK-STQMWFEESA-N 1 0 222.376 3.507 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000309738583 388463350 /nfs/dbraw/zinc/46/33/50/388463350.db2.gz CVQBNOHQEATWBT-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000309739192 388462834 /nfs/dbraw/zinc/46/28/34/388462834.db2.gz CZPSUULDNPOANN-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000309739193 388463241 /nfs/dbraw/zinc/46/32/41/388463241.db2.gz CZPSUULDNPOANN-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCC[C@@H](C)Nc1cc(C2CC2)ccn1 ZINC000309739470 347150264 /nfs/dbraw/zinc/15/02/64/347150264.db2.gz HKJUASSMJWWPRM-LLVKDONJSA-N 1 0 216.328 3.726 20 30 BHEDRO C=CCC[C@H](C)Nc1cc(C2CC2)ccn1 ZINC000309739472 347150407 /nfs/dbraw/zinc/15/04/07/347150407.db2.gz HKJUASSMJWWPRM-NSHDSACASA-N 1 0 216.328 3.726 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)c1ccccc1F ZINC000309741136 388463210 /nfs/dbraw/zinc/46/32/10/388463210.db2.gz DHVGOMISYTWESN-UHFFFAOYSA-N 1 0 221.319 3.617 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000309747136 388463202 /nfs/dbraw/zinc/46/32/02/388463202.db2.gz FVTITARMPDUJIE-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000309747137 388463235 /nfs/dbraw/zinc/46/32/35/388463235.db2.gz FVTITARMPDUJIE-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(CC)C[NH2+]C1(c2ccccc2)CCC1 ZINC000309750380 322911125 /nfs/dbraw/zinc/91/11/25/322911125.db2.gz GOPFGUNQMSEGLP-UHFFFAOYSA-N 1 0 215.340 3.622 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000309751285 491155545 /nfs/dbraw/zinc/15/55/45/491155545.db2.gz GSXLSBHWDRTQBH-NWDGAFQWSA-N 1 0 235.758 3.793 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000309751287 491155589 /nfs/dbraw/zinc/15/55/89/491155589.db2.gz GSXLSBHWDRTQBH-VXGBXAGGSA-N 1 0 235.758 3.793 20 30 BHEDRO C#CCCC[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000309759564 632666430 /nfs/dbraw/zinc/66/64/30/632666430.db2.gz MFDVMLLXLWSFOT-HNNXBMFYSA-N 1 0 221.388 3.762 20 30 BHEDRO C#CCCC[NH2+]CC[C@H](C)CCC=C(C)C ZINC000309759566 633239788 /nfs/dbraw/zinc/23/97/88/633239788.db2.gz MFDVMLLXLWSFOT-OAHLLOKOSA-N 1 0 221.388 3.762 20 30 BHEDRO C=CCC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000309761606 388463906 /nfs/dbraw/zinc/46/39/06/388463906.db2.gz ITSWDYLLAGNELQ-BXUZGUMPSA-N 1 0 235.758 3.741 20 30 BHEDRO C=CCC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000309761611 527326994 /nfs/dbraw/zinc/32/69/94/527326994.db2.gz ITSWDYLLAGNELQ-FZMZJTMJSA-N 1 0 235.758 3.741 20 30 BHEDRO C=CCC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000309761615 388464087 /nfs/dbraw/zinc/46/40/87/388464087.db2.gz ITSWDYLLAGNELQ-RISCZKNCSA-N 1 0 235.758 3.741 20 30 BHEDRO C=CCC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000309761620 388463991 /nfs/dbraw/zinc/46/39/91/388463991.db2.gz ITSWDYLLAGNELQ-SMDDNHRTSA-N 1 0 235.758 3.741 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000309767665 388464032 /nfs/dbraw/zinc/46/40/32/388464032.db2.gz JUZHSXNXQOLNHU-GFCCVEGCSA-N 1 0 221.319 3.751 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000309767668 388464010 /nfs/dbraw/zinc/46/40/10/388464010.db2.gz JUZHSXNXQOLNHU-LBPRGKRZSA-N 1 0 221.319 3.751 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309774018 370258106 /nfs/dbraw/zinc/25/81/06/370258106.db2.gz PFFOZADCVSXBGK-NXEZZACHSA-N 1 0 237.309 3.765 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309774019 370258516 /nfs/dbraw/zinc/25/85/16/370258516.db2.gz PFFOZADCVSXBGK-UWVGGRQHSA-N 1 0 237.309 3.765 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309774020 370257399 /nfs/dbraw/zinc/25/73/99/370257399.db2.gz PFFOZADCVSXBGK-VHSXEESVSA-N 1 0 237.309 3.765 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000309774021 370257236 /nfs/dbraw/zinc/25/72/36/370257236.db2.gz PFFOZADCVSXBGK-ZJUUUORDSA-N 1 0 237.309 3.765 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccco1 ZINC000309776907 388464155 /nfs/dbraw/zinc/46/41/55/388464155.db2.gz LWDPUNYSCSGRRA-AGIUHOORSA-N 1 0 219.328 3.533 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccco1 ZINC000309776908 388464049 /nfs/dbraw/zinc/46/40/49/388464049.db2.gz LWDPUNYSCSGRRA-AVGNSLFASA-N 1 0 219.328 3.533 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccco1 ZINC000309776909 527485129 /nfs/dbraw/zinc/48/51/29/527485129.db2.gz LWDPUNYSCSGRRA-UPJWGTAASA-N 1 0 219.328 3.533 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccco1 ZINC000309776910 388463889 /nfs/dbraw/zinc/46/38/89/388463889.db2.gz LWDPUNYSCSGRRA-XQQFMLRXSA-N 1 0 219.328 3.533 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000309777109 388464109 /nfs/dbraw/zinc/46/41/09/388464109.db2.gz LXONRYXHZZMULG-KBPBESRZSA-N 1 0 217.356 3.734 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000309777115 388464036 /nfs/dbraw/zinc/46/40/36/388464036.db2.gz LXONRYXHZZMULG-KGLIPLIRSA-N 1 0 217.356 3.734 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000309777122 388463880 /nfs/dbraw/zinc/46/38/80/388463880.db2.gz LXONRYXHZZMULG-UONOGXRCSA-N 1 0 217.356 3.734 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000309777127 388463909 /nfs/dbraw/zinc/46/39/09/388463909.db2.gz LXONRYXHZZMULG-ZIAGYGMSSA-N 1 0 217.356 3.734 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000309793929 633748351 /nfs/dbraw/zinc/74/83/51/633748351.db2.gz UYBOHQRMNLCCMG-AWEZNQCLSA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCC[NH2+][C@H](C)CCC1CCCCC1 ZINC000309793930 633748490 /nfs/dbraw/zinc/74/84/90/633748490.db2.gz UYBOHQRMNLCCMG-CQSZACIVSA-N 1 0 221.388 3.738 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000309797028 388464928 /nfs/dbraw/zinc/46/49/28/388464928.db2.gz VPTFKPLZTHXYRQ-GHMZBOCLSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000309797029 388464843 /nfs/dbraw/zinc/46/48/43/388464843.db2.gz VPTFKPLZTHXYRQ-MNOVXSKESA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000309797030 388464910 /nfs/dbraw/zinc/46/49/10/388464910.db2.gz VPTFKPLZTHXYRQ-QWRGUYRKSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000309797031 388465004 /nfs/dbraw/zinc/46/50/04/388465004.db2.gz VPTFKPLZTHXYRQ-WDEREUQCSA-N 1 0 231.330 3.755 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000309800054 526860083 /nfs/dbraw/zinc/86/00/83/526860083.db2.gz QZWLHANDWJSZMK-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(CC)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000309808926 526861840 /nfs/dbraw/zinc/86/18/40/526861840.db2.gz SWTBMSRUPTVTLC-HNNXBMFYSA-N 1 0 217.356 3.940 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000309808928 388465877 /nfs/dbraw/zinc/46/58/77/388465877.db2.gz SWTBMSRUPTVTLC-OAHLLOKOSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000309810181 384636354 /nfs/dbraw/zinc/63/63/54/384636354.db2.gz YSNGQERXLBIPOC-CHWSQXEVSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000309810182 384637465 /nfs/dbraw/zinc/63/74/65/384637465.db2.gz YSNGQERXLBIPOC-OLZOCXBDSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000309810184 384849527 /nfs/dbraw/zinc/84/95/27/384849527.db2.gz YSNGQERXLBIPOC-QWHCGFSZSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000309810186 384850965 /nfs/dbraw/zinc/85/09/65/384850965.db2.gz YSNGQERXLBIPOC-STQMWFEESA-N 1 0 221.388 3.900 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000309812400 398044408 /nfs/dbraw/zinc/04/44/08/398044408.db2.gz UOIZIMMEZSLZFQ-DDTOSNHZSA-N 1 0 235.758 3.813 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000309812401 398044345 /nfs/dbraw/zinc/04/43/45/398044345.db2.gz UOIZIMMEZSLZFQ-LERXQTSPSA-N 1 0 235.758 3.813 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000309812402 398044439 /nfs/dbraw/zinc/04/44/39/398044439.db2.gz UOIZIMMEZSLZFQ-LEWSCRJBSA-N 1 0 235.758 3.813 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000309812403 398044521 /nfs/dbraw/zinc/04/45/21/398044521.db2.gz UOIZIMMEZSLZFQ-ZLKJLUDKSA-N 1 0 235.758 3.813 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000309820945 385038027 /nfs/dbraw/zinc/03/80/27/385038027.db2.gz WHUQYDAJBQEMTN-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000309820947 388465786 /nfs/dbraw/zinc/46/57/86/388465786.db2.gz WHUQYDAJBQEMTN-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000309820972 526860161 /nfs/dbraw/zinc/86/01/61/526860161.db2.gz WINDROFOIKAFAB-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000309820974 526859966 /nfs/dbraw/zinc/85/99/66/526859966.db2.gz WINDROFOIKAFAB-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000309829017 388466011 /nfs/dbraw/zinc/46/60/11/388466011.db2.gz YAJWJKAIGJMFDW-UHFFFAOYSA-N 1 0 217.356 3.786 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000309829063 491157400 /nfs/dbraw/zinc/15/74/00/491157400.db2.gz YBIKZJXOVVYSQY-NEPJUHHUSA-N 1 0 235.758 3.793 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000309829065 491157414 /nfs/dbraw/zinc/15/74/14/491157414.db2.gz YBIKZJXOVVYSQY-NWDGAFQWSA-N 1 0 235.758 3.793 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000309829067 491157430 /nfs/dbraw/zinc/15/74/30/491157430.db2.gz YBIKZJXOVVYSQY-RYUDHWBXSA-N 1 0 235.758 3.793 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000309829069 491157428 /nfs/dbraw/zinc/15/74/28/491157428.db2.gz YBIKZJXOVVYSQY-VXGBXAGGSA-N 1 0 235.758 3.793 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000309829880 388465367 /nfs/dbraw/zinc/46/53/67/388465367.db2.gz YGLPTISKYGCDDB-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000309830530 398043789 /nfs/dbraw/zinc/04/37/89/398043789.db2.gz YKOGAAJNWGMFIK-KBPBESRZSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000309830531 398043657 /nfs/dbraw/zinc/04/36/57/398043657.db2.gz YKOGAAJNWGMFIK-KGLIPLIRSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000309830532 527450806 /nfs/dbraw/zinc/45/08/06/527450806.db2.gz YKOGAAJNWGMFIK-UONOGXRCSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000309830533 527451789 /nfs/dbraw/zinc/45/17/89/527451789.db2.gz YKOGAAJNWGMFIK-ZIAGYGMSSA-N 1 0 221.388 3.900 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000309845460 384664665 /nfs/dbraw/zinc/66/46/65/384664665.db2.gz GFLZWCBJZWUKHX-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000309847543 384443722 /nfs/dbraw/zinc/44/37/22/384443722.db2.gz HKDSBMYDFBIVFQ-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO CCCCCCC[NH2+]Cc1sccc1OC ZINC000309867636 632676908 /nfs/dbraw/zinc/67/69/08/632676908.db2.gz PEDMVRYVRSGCAT-UHFFFAOYSA-N 1 0 241.400 3.817 20 30 BHEDRO C=CCCC[NH2+]Cc1cccc(SCC)c1 ZINC000309892563 388469242 /nfs/dbraw/zinc/46/92/42/388469242.db2.gz DGSNOULCIYNMKY-UHFFFAOYSA-N 1 0 235.396 3.854 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000309914337 388468661 /nfs/dbraw/zinc/46/86/61/388468661.db2.gz OKVIVIMQDIUCDU-AWEZNQCLSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCSC1 ZINC000309936637 527468382 /nfs/dbraw/zinc/46/83/82/527468382.db2.gz AGBRIJMXAGGUST-KBPBESRZSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCSC1 ZINC000309936640 388468462 /nfs/dbraw/zinc/46/84/62/388468462.db2.gz AGBRIJMXAGGUST-KGLIPLIRSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCSC1 ZINC000309936642 388468770 /nfs/dbraw/zinc/46/87/70/388468770.db2.gz AGBRIJMXAGGUST-UONOGXRCSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCSC1 ZINC000309936644 388469058 /nfs/dbraw/zinc/46/90/58/388469058.db2.gz AGBRIJMXAGGUST-ZIAGYGMSSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCC[NH2+]Cc1nc(CCC)cs1 ZINC000309975656 384755991 /nfs/dbraw/zinc/75/59/91/384755991.db2.gz SNFPCEBYZJGRDY-UHFFFAOYSA-N 1 0 238.400 3.542 20 30 BHEDRO C=C(C)C[NH2+]C(C)(C)c1ccc(CC)cc1 ZINC000309980994 388470995 /nfs/dbraw/zinc/47/09/95/388470995.db2.gz WCNRQFRACWVIFX-UHFFFAOYSA-N 1 0 217.356 3.650 20 30 BHEDRO CCCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309994756 388472134 /nfs/dbraw/zinc/47/21/34/388472134.db2.gz BULARWMSKQIAHS-HZSPNIEDSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCC[C@H](CCC)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309994758 388472373 /nfs/dbraw/zinc/47/23/73/388472373.db2.gz BULARWMSKQIAHS-IHRRRGAJSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCC[C@H](CCC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309994760 388471740 /nfs/dbraw/zinc/47/17/40/388471740.db2.gz BULARWMSKQIAHS-MELADBBJSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCC[C@H](CCC)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309994761 388471969 /nfs/dbraw/zinc/47/19/69/388471969.db2.gz BULARWMSKQIAHS-RDBSUJKOSA-N 1 0 222.376 3.627 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309995770 491159645 /nfs/dbraw/zinc/15/96/45/491159645.db2.gz CCDJVPJJUPQFFJ-NEPJUHHUSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309995774 491159602 /nfs/dbraw/zinc/15/96/02/491159602.db2.gz CCDJVPJJUPQFFJ-NWDGAFQWSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCC(F)(F)C1 ZINC000309995776 491159622 /nfs/dbraw/zinc/15/96/22/491159622.db2.gz CCDJVPJJUPQFFJ-RYUDHWBXSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309995779 491159579 /nfs/dbraw/zinc/15/95/79/491159579.db2.gz CCDJVPJJUPQFFJ-VXGBXAGGSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC(CC)(CC)OC ZINC000309997383 388471954 /nfs/dbraw/zinc/47/19/54/388471954.db2.gz CKOOKCLPICJMPN-CYBMUJFWSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC(CC)(CC)OC ZINC000309997384 388470820 /nfs/dbraw/zinc/47/08/20/388470820.db2.gz CKOOKCLPICJMPN-ZDUSSCGKSA-N 1 0 227.392 3.526 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]CCCC1CCCCC1 ZINC000310000813 347216962 /nfs/dbraw/zinc/21/69/62/347216962.db2.gz DTQCJPZWLDDPBQ-AWEZNQCLSA-N 1 0 222.376 3.629 20 30 BHEDRO CC[C@H](CC#N)[NH2+]CCCC1CCCCC1 ZINC000310000814 347216807 /nfs/dbraw/zinc/21/68/07/347216807.db2.gz DTQCJPZWLDDPBQ-CQSZACIVSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(CC)CCC1)C1CC1 ZINC000310002811 388472380 /nfs/dbraw/zinc/47/23/80/388472380.db2.gz FKWMCKZUFIXCHT-AWEZNQCLSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(CC)CCC1)C1CC1 ZINC000310002813 527446786 /nfs/dbraw/zinc/44/67/86/527446786.db2.gz FKWMCKZUFIXCHT-CQSZACIVSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000310004327 527426754 /nfs/dbraw/zinc/42/67/54/527426754.db2.gz FYSUSTGLDVHVOT-GHMZBOCLSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000310004329 388472159 /nfs/dbraw/zinc/47/21/59/388472159.db2.gz FYSUSTGLDVHVOT-MNOVXSKESA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](C)C(F)(F)F ZINC000310004331 388472251 /nfs/dbraw/zinc/47/22/51/388472251.db2.gz FYSUSTGLDVHVOT-QWRGUYRKSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](C)C(F)(F)F ZINC000310004333 388471706 /nfs/dbraw/zinc/47/17/06/388471706.db2.gz FYSUSTGLDVHVOT-WDEREUQCSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000310005521 388472255 /nfs/dbraw/zinc/47/22/55/388472255.db2.gz GNUVEMZMJVCRDG-NEPJUHHUSA-N 1 0 221.344 3.847 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000310005524 527054980 /nfs/dbraw/zinc/05/49/80/527054980.db2.gz GNUVEMZMJVCRDG-NWDGAFQWSA-N 1 0 221.344 3.847 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000310005525 388472468 /nfs/dbraw/zinc/47/24/68/388472468.db2.gz GNUVEMZMJVCRDG-RYUDHWBXSA-N 1 0 221.344 3.847 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000310005527 388471827 /nfs/dbraw/zinc/47/18/27/388471827.db2.gz GNUVEMZMJVCRDG-VXGBXAGGSA-N 1 0 221.344 3.847 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000310006989 634062514 /nfs/dbraw/zinc/06/25/14/634062514.db2.gz HCAGOPXCIWZOJL-SKDRFNHKSA-N 1 0 239.746 3.661 20 30 BHEDRO CCCCCCC[NH2+]Cc1cnc(CC)s1 ZINC000310007214 634066609 /nfs/dbraw/zinc/06/66/09/634066609.db2.gz HDFXUVKMHUUHPS-UHFFFAOYSA-N 1 0 240.416 3.766 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]CC(C)(C)CCC#N ZINC000310009275 528782135 /nfs/dbraw/zinc/78/21/35/528782135.db2.gz HZHFUUINTPVMFK-CYBMUJFWSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCC[C@H](CC)[NH2+]CC(C)(C)CCC#N ZINC000310009276 388472648 /nfs/dbraw/zinc/47/26/48/388472648.db2.gz HZHFUUINTPVMFK-ZDUSSCGKSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310012433 632695285 /nfs/dbraw/zinc/69/52/85/632695285.db2.gz JCOTUCOIJZZIRU-BFHYXJOUSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310012435 634071541 /nfs/dbraw/zinc/07/15/41/634071541.db2.gz JCOTUCOIJZZIRU-IHRRRGAJSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310012437 634071187 /nfs/dbraw/zinc/07/11/87/634071187.db2.gz JCOTUCOIJZZIRU-MELADBBJSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310012439 632695250 /nfs/dbraw/zinc/69/52/50/632695250.db2.gz JCOTUCOIJZZIRU-MJBXVCDLSA-N 1 0 222.376 3.627 20 30 BHEDRO C#CCC[NH2+][C@H](c1cccs1)C(CC)CC ZINC000310012797 634071652 /nfs/dbraw/zinc/07/16/52/634071652.db2.gz JGZAKJUGQWQKOX-AWEZNQCLSA-N 1 0 235.396 3.838 20 30 BHEDRO C#CCC[NH2+][C@@H](c1cccs1)C(CC)CC ZINC000310012798 634071218 /nfs/dbraw/zinc/07/12/18/634071218.db2.gz JGZAKJUGQWQKOX-CQSZACIVSA-N 1 0 235.396 3.838 20 30 BHEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000310012989 323126386 /nfs/dbraw/zinc/12/63/86/323126386.db2.gz JKJZGARJKAZFGL-KBPBESRZSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000310012990 323126416 /nfs/dbraw/zinc/12/64/16/323126416.db2.gz JKJZGARJKAZFGL-KGLIPLIRSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000310012991 323126440 /nfs/dbraw/zinc/12/64/40/323126440.db2.gz JKJZGARJKAZFGL-UONOGXRCSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000310012992 323126447 /nfs/dbraw/zinc/12/64/47/323126447.db2.gz JKJZGARJKAZFGL-ZIAGYGMSSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(CCC)CC1)C1CC1 ZINC000310014339 385086590 /nfs/dbraw/zinc/08/65/90/385086590.db2.gz KDVIIIDXGZJCKG-AWEZNQCLSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(CCC)CC1)C1CC1 ZINC000310014340 388473003 /nfs/dbraw/zinc/47/30/03/388473003.db2.gz KDVIIIDXGZJCKG-CQSZACIVSA-N 1 0 221.388 3.901 20 30 BHEDRO C#CCCCC[NH2+]C1CCC(C)(CC)CC1 ZINC000310014341 632695059 /nfs/dbraw/zinc/69/50/59/632695059.db2.gz KDWPAONTJSSPIC-UHFFFAOYSA-N 1 0 221.388 3.738 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccccc1F ZINC000310014557 384561723 /nfs/dbraw/zinc/56/17/23/384561723.db2.gz KINKPHZJAWCFGJ-NEPJUHHUSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccccc1F ZINC000310014558 384560859 /nfs/dbraw/zinc/56/08/59/384560859.db2.gz KINKPHZJAWCFGJ-NWDGAFQWSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccccc1F ZINC000310014560 384561456 /nfs/dbraw/zinc/56/14/56/384561456.db2.gz KINKPHZJAWCFGJ-RYUDHWBXSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccccc1F ZINC000310014561 384560658 /nfs/dbraw/zinc/56/06/58/384560658.db2.gz KINKPHZJAWCFGJ-VXGBXAGGSA-N 1 0 221.319 3.831 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C1CCC(C)(CC)CC1 ZINC000310019649 384786994 /nfs/dbraw/zinc/78/69/94/384786994.db2.gz MOKCBUNEGSVEES-HSBZDZAISA-N 1 0 222.376 3.627 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C1CCC(C)(CC)CC1 ZINC000310019650 384785619 /nfs/dbraw/zinc/78/56/19/384785619.db2.gz MOKCBUNEGSVEES-IYXRBSQSSA-N 1 0 222.376 3.627 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000310021653 388473631 /nfs/dbraw/zinc/47/36/31/388473631.db2.gz NPSCFORUDMCJAF-AAEUAGOBSA-N 1 0 221.344 3.902 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000310021654 388473955 /nfs/dbraw/zinc/47/39/55/388473955.db2.gz NPSCFORUDMCJAF-DGCLKSJQSA-N 1 0 221.344 3.902 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000310021655 527054255 /nfs/dbraw/zinc/05/42/55/527054255.db2.gz NPSCFORUDMCJAF-WCQYABFASA-N 1 0 221.344 3.902 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000310021656 388473554 /nfs/dbraw/zinc/47/35/54/388473554.db2.gz NPSCFORUDMCJAF-YPMHNXCESA-N 1 0 221.344 3.902 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000310021675 634079820 /nfs/dbraw/zinc/07/98/20/634079820.db2.gz NQCNHTGBYNJMDZ-KBPBESRZSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000310021676 634080306 /nfs/dbraw/zinc/08/03/06/634080306.db2.gz NQCNHTGBYNJMDZ-KGLIPLIRSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000310021677 634081077 /nfs/dbraw/zinc/08/10/77/634081077.db2.gz NQCNHTGBYNJMDZ-UONOGXRCSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000310021678 632694453 /nfs/dbraw/zinc/69/44/53/632694453.db2.gz NQCNHTGBYNJMDZ-ZIAGYGMSSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCC[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000310022049 634081943 /nfs/dbraw/zinc/08/19/43/634081943.db2.gz NVOATQZQKDTUEC-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000310022050 634081843 /nfs/dbraw/zinc/08/18/43/634081843.db2.gz NVOATQZQKDTUEC-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000310022051 634082625 /nfs/dbraw/zinc/08/26/25/634082625.db2.gz NVOATQZQKDTUEC-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000310022052 634082896 /nfs/dbraw/zinc/08/28/96/634082896.db2.gz NVOATQZQKDTUEC-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC1(SC)CCC1 ZINC000310025333 388474187 /nfs/dbraw/zinc/47/41/87/388474187.db2.gz OZDNESCZVNADAO-CYBMUJFWSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC1(SC)CCC1 ZINC000310025334 388474076 /nfs/dbraw/zinc/47/40/76/388474076.db2.gz OZDNESCZVNADAO-ZDUSSCGKSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCC1(F)F ZINC000310026884 491160311 /nfs/dbraw/zinc/16/03/11/491160311.db2.gz PUPHINOSHYMJSE-NEPJUHHUSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCC1(F)F ZINC000310026888 491160318 /nfs/dbraw/zinc/16/03/18/491160318.db2.gz PUPHINOSHYMJSE-NWDGAFQWSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCC1(F)F ZINC000310026892 583085570 /nfs/dbraw/zinc/08/55/70/583085570.db2.gz PUPHINOSHYMJSE-RYUDHWBXSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCC1(F)F ZINC000310026895 491160288 /nfs/dbraw/zinc/16/02/88/491160288.db2.gz PUPHINOSHYMJSE-VXGBXAGGSA-N 1 0 231.330 3.899 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000310027062 711702163 /nfs/dbraw/zinc/70/21/63/711702163.db2.gz PXLCRRHXPUGQNH-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000310027063 711702059 /nfs/dbraw/zinc/70/20/59/711702059.db2.gz PXLCRRHXPUGQNH-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000310027064 632694360 /nfs/dbraw/zinc/69/43/60/632694360.db2.gz PXLCRRHXPUGQNH-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000310027065 632694823 /nfs/dbraw/zinc/69/48/23/632694823.db2.gz PXLCRRHXPUGQNH-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC1(C(F)F)CC1 ZINC000310027517 388473832 /nfs/dbraw/zinc/47/38/32/388473832.db2.gz QBDJZUQTJJPLBB-LLVKDONJSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC1(C(F)F)CC1 ZINC000310027520 388473547 /nfs/dbraw/zinc/47/35/47/388473547.db2.gz QBDJZUQTJJPLBB-NSHDSACASA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000310032969 384800678 /nfs/dbraw/zinc/80/06/78/384800678.db2.gz RSICMPDLYKNFIP-AAEUAGOBSA-N 1 0 221.344 3.902 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(C)oc1C ZINC000310032970 384799586 /nfs/dbraw/zinc/79/95/86/384799586.db2.gz RSICMPDLYKNFIP-DGCLKSJQSA-N 1 0 221.344 3.902 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000310032971 385064088 /nfs/dbraw/zinc/06/40/88/385064088.db2.gz RSICMPDLYKNFIP-WCQYABFASA-N 1 0 221.344 3.902 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(C)oc1C ZINC000310032972 534380827 /nfs/dbraw/zinc/38/08/27/534380827.db2.gz RSICMPDLYKNFIP-YPMHNXCESA-N 1 0 221.344 3.902 20 30 BHEDRO CCCCCCC[NH2+]C1CC(OC(C)C)C1 ZINC000310033124 634093686 /nfs/dbraw/zinc/09/36/86/634093686.db2.gz RVNHULPQUATUJN-UHFFFAOYSA-N 1 0 227.392 3.502 20 30 BHEDRO CCCCCCC[NH2+]C1CCC(OC)CC1 ZINC000310036312 634098420 /nfs/dbraw/zinc/09/84/20/634098420.db2.gz UJRPTXLMRORVPU-UHFFFAOYSA-N 1 0 227.392 3.504 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCOC(C)(C)C ZINC000310036911 323127564 /nfs/dbraw/zinc/12/75/64/323127564.db2.gz UPTVKZFEYSLEGP-CYBMUJFWSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCOC(C)(C)C ZINC000310036912 323127561 /nfs/dbraw/zinc/12/75/61/323127561.db2.gz UPTVKZFEYSLEGP-ZDUSSCGKSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCCS1 ZINC000310037737 384589140 /nfs/dbraw/zinc/58/91/40/384589140.db2.gz VKWWZOGVLPSJQT-KBPBESRZSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCCS1 ZINC000310037738 384588910 /nfs/dbraw/zinc/58/89/10/384588910.db2.gz VKWWZOGVLPSJQT-KGLIPLIRSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCCS1 ZINC000310037739 384590720 /nfs/dbraw/zinc/59/07/20/384590720.db2.gz VKWWZOGVLPSJQT-UONOGXRCSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCCS1 ZINC000310037740 384590005 /nfs/dbraw/zinc/59/00/05/384590005.db2.gz VKWWZOGVLPSJQT-ZIAGYGMSSA-N 1 0 241.444 3.997 20 30 BHEDRO CCCCCCC[NH2+]CC(C)(C)CCC#N ZINC000310038001 634100736 /nfs/dbraw/zinc/10/07/36/634100736.db2.gz VRHBDYAEFIMCNT-UHFFFAOYSA-N 1 0 224.392 3.876 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC1CC(F)(F)C1 ZINC000310038677 384597031 /nfs/dbraw/zinc/59/70/31/384597031.db2.gz WIDJYNQEDLYKQN-GFCCVEGCSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC1CC(F)(F)C1 ZINC000310038678 384598724 /nfs/dbraw/zinc/59/87/24/384598724.db2.gz WIDJYNQEDLYKQN-LBPRGKRZSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)CCC#N ZINC000310039789 384808502 /nfs/dbraw/zinc/80/85/02/384808502.db2.gz XJYQGCADGGPECV-CYBMUJFWSA-N 1 0 222.376 3.651 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)CCC#N ZINC000310039790 134500120 /nfs/dbraw/zinc/50/01/20/134500120.db2.gz XJYQGCADGGPECV-ZDUSSCGKSA-N 1 0 222.376 3.651 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)Cc1ccco1 ZINC000310042267 634107742 /nfs/dbraw/zinc/10/77/42/634107742.db2.gz ZIMZRCWCSANLEY-CHWSQXEVSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)Cc1ccco1 ZINC000310042268 634107006 /nfs/dbraw/zinc/10/70/06/634107006.db2.gz ZIMZRCWCSANLEY-OLZOCXBDSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccco1 ZINC000310042269 634107591 /nfs/dbraw/zinc/10/75/91/634107591.db2.gz ZIMZRCWCSANLEY-QWHCGFSZSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)Cc1ccco1 ZINC000310042270 634107508 /nfs/dbraw/zinc/10/75/08/634107508.db2.gz ZIMZRCWCSANLEY-STQMWFEESA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)C(F)(F)F ZINC000310042512 343227480 /nfs/dbraw/zinc/22/74/80/343227480.db2.gz ZLQXKNSRHMHSQK-JTQLQIEISA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)C(F)(F)F ZINC000310042513 343227615 /nfs/dbraw/zinc/22/76/15/343227615.db2.gz ZLQXKNSRHMHSQK-SNVBAGLBSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(F)c1 ZINC000310042712 388474530 /nfs/dbraw/zinc/47/45/30/388474530.db2.gz ZPRQTBCPFAMIPA-BXUZGUMPSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000310042713 527164783 /nfs/dbraw/zinc/16/47/83/527164783.db2.gz ZPRQTBCPFAMIPA-FZMZJTMJSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(F)c1 ZINC000310042714 527164280 /nfs/dbraw/zinc/16/42/80/527164280.db2.gz ZPRQTBCPFAMIPA-RISCZKNCSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000310042715 527054361 /nfs/dbraw/zinc/05/43/61/527054361.db2.gz ZPRQTBCPFAMIPA-SMDDNHRTSA-N 1 0 221.319 3.831 20 30 BHEDRO CC[C@@]1(C)CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000310044580 388474771 /nfs/dbraw/zinc/47/47/71/388474771.db2.gz BWNVMZNLVYAKCP-HNNXBMFYSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[C@]1(C)CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000310044581 388474755 /nfs/dbraw/zinc/47/47/55/388474755.db2.gz BWNVMZNLVYAKCP-OAHLLOKOSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000310044591 388474534 /nfs/dbraw/zinc/47/45/34/388474534.db2.gz DAFAFSNIKJJRND-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000310044592 388474825 /nfs/dbraw/zinc/47/48/25/388474825.db2.gz DAFAFSNIKJJRND-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000310044593 388474532 /nfs/dbraw/zinc/47/45/32/388474532.db2.gz DAFAFSNIKJJRND-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000310044594 388474522 /nfs/dbraw/zinc/47/45/22/388474522.db2.gz DAFAFSNIKJJRND-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000310044737 388474779 /nfs/dbraw/zinc/47/47/79/388474779.db2.gz PPBIWZXJESJPHV-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000310044738 388474603 /nfs/dbraw/zinc/47/46/03/388474603.db2.gz PPBIWZXJESJPHV-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000310058798 632698026 /nfs/dbraw/zinc/69/80/26/632698026.db2.gz FDVNCKDOABGVMT-ILXRZTDVSA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000310058799 632697643 /nfs/dbraw/zinc/69/76/43/632697643.db2.gz FDVNCKDOABGVMT-KKUMJFAQSA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000310058800 632697879 /nfs/dbraw/zinc/69/78/79/632697879.db2.gz FDVNCKDOABGVMT-QLFBSQMISA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000310058801 632697191 /nfs/dbraw/zinc/69/71/91/632697191.db2.gz FDVNCKDOABGVMT-SOUVJXGZSA-N 1 0 241.419 3.750 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000310067422 388475384 /nfs/dbraw/zinc/47/53/84/388475384.db2.gz BZUJTWFPRDKPNZ-UHFFFAOYSA-N 1 0 243.272 3.550 20 30 BHEDRO C=CCCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000310075473 388475377 /nfs/dbraw/zinc/47/53/77/388475377.db2.gz GELJWJATQDJUFB-UHFFFAOYSA-N 1 0 228.339 3.614 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000310080180 384632342 /nfs/dbraw/zinc/63/23/42/384632342.db2.gz ITDMUFBUIFNNOK-LLVKDONJSA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000310080181 527170444 /nfs/dbraw/zinc/17/04/44/527170444.db2.gz ITDMUFBUIFNNOK-NSHDSACASA-N 1 0 239.309 3.972 20 30 BHEDRO CC[C@@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000310090155 529341861 /nfs/dbraw/zinc/34/18/61/529341861.db2.gz DOKHDELSJCHLEN-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000310090156 370298063 /nfs/dbraw/zinc/29/80/63/370298063.db2.gz DOKHDELSJCHLEN-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000310095604 388475475 /nfs/dbraw/zinc/47/54/75/388475475.db2.gz UWRKWMOTHUWQKM-HNNXBMFYSA-N 1 0 231.383 3.954 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)CCc1ccccc1 ZINC000310095605 388475766 /nfs/dbraw/zinc/47/57/66/388475766.db2.gz UWRKWMOTHUWQKM-OAHLLOKOSA-N 1 0 231.383 3.954 20 30 BHEDRO C=CCCCCCC[NH2+]C1CCC(OC)CC1 ZINC000310118943 635132077 /nfs/dbraw/zinc/13/20/77/635132077.db2.gz AESNZIAGAKHURD-UHFFFAOYSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCSCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000310131890 134600166 /nfs/dbraw/zinc/60/01/66/134600166.db2.gz HUKFNMQQVDKGLZ-HNNXBMFYSA-N 1 0 249.423 3.955 20 30 BHEDRO C=CCSCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000310131891 134600062 /nfs/dbraw/zinc/60/00/62/134600062.db2.gz HUKFNMQQVDKGLZ-OAHLLOKOSA-N 1 0 249.423 3.955 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000310135649 388476819 /nfs/dbraw/zinc/47/68/19/388476819.db2.gz BZGYSFFOKUYHEU-AWEZNQCLSA-N 1 0 231.383 3.982 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000310135650 388476513 /nfs/dbraw/zinc/47/65/13/388476513.db2.gz BZGYSFFOKUYHEU-CQSZACIVSA-N 1 0 231.383 3.982 20 30 BHEDRO CC(C)(C)C(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000310136109 347238633 /nfs/dbraw/zinc/23/86/33/347238633.db2.gz CCFRHMWAOWBSNH-UHFFFAOYSA-N 1 0 238.419 3.978 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)CCc1ccco1 ZINC000310144823 370308499 /nfs/dbraw/zinc/30/84/99/370308499.db2.gz FZVBYSAFISCFNC-CYBMUJFWSA-N 1 0 235.371 3.793 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000310144824 370307928 /nfs/dbraw/zinc/30/79/28/370307928.db2.gz FZVBYSAFISCFNC-ZDUSSCGKSA-N 1 0 235.371 3.793 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000310159120 632704065 /nfs/dbraw/zinc/70/40/65/632704065.db2.gz PKWKVAAUYJTIPC-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000310159121 634081915 /nfs/dbraw/zinc/08/19/15/634081915.db2.gz PKWKVAAUYJTIPC-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000310159122 632703728 /nfs/dbraw/zinc/70/37/28/632703728.db2.gz PKWKVAAUYJTIPC-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)Cc1ccccc1F ZINC000310162329 388477828 /nfs/dbraw/zinc/47/78/28/388477828.db2.gz IXJGNWFZTHIVTA-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000310162330 388477760 /nfs/dbraw/zinc/47/77/60/388477760.db2.gz IXJGNWFZTHIVTA-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO C#CCCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000310166303 634080700 /nfs/dbraw/zinc/08/07/00/634080700.db2.gz JWSHEFDKHMCRKZ-BBRMVZONSA-N 1 0 227.351 3.628 20 30 BHEDRO C#CCCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000310166308 632705142 /nfs/dbraw/zinc/70/51/42/632705142.db2.gz JWSHEFDKHMCRKZ-CJNGLKHVSA-N 1 0 227.351 3.628 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000310166311 632705305 /nfs/dbraw/zinc/70/53/05/632705305.db2.gz JWSHEFDKHMCRKZ-CZUORRHYSA-N 1 0 227.351 3.628 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000310166315 632704831 /nfs/dbraw/zinc/70/48/31/632704831.db2.gz JWSHEFDKHMCRKZ-XJKSGUPXSA-N 1 0 227.351 3.628 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000310169898 388477613 /nfs/dbraw/zinc/47/76/13/388477613.db2.gz PEVDEPXDNCZOJE-CHWSQXEVSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C ZINC000310169900 527019620 /nfs/dbraw/zinc/01/96/20/527019620.db2.gz PEVDEPXDNCZOJE-OLZOCXBDSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000310169901 527020017 /nfs/dbraw/zinc/02/00/17/527020017.db2.gz PEVDEPXDNCZOJE-QWHCGFSZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000310169903 347239674 /nfs/dbraw/zinc/23/96/74/347239674.db2.gz PEVDEPXDNCZOJE-STQMWFEESA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCCCC[NH2+]Cc1coc2ccccc12 ZINC000310174367 388477431 /nfs/dbraw/zinc/47/74/31/388477431.db2.gz LXDOPVJPTSONJO-UHFFFAOYSA-N 1 0 229.323 3.879 20 30 BHEDRO C=CCCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000310174710 527232824 /nfs/dbraw/zinc/23/28/24/527232824.db2.gz QWMUHSZNYHCFRA-UHFFFAOYSA-N 1 0 233.330 3.628 20 30 BHEDRO C=CCCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000310178153 527171067 /nfs/dbraw/zinc/17/10/67/527171067.db2.gz MSWPWNOFPQVDAI-HNNXBMFYSA-N 1 0 249.785 3.753 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000310178154 527170820 /nfs/dbraw/zinc/17/08/20/527170820.db2.gz MSWPWNOFPQVDAI-OAHLLOKOSA-N 1 0 249.785 3.753 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000310179163 388477741 /nfs/dbraw/zinc/47/77/41/388477741.db2.gz NABGHQFHUOLIRL-GXTWGEPZSA-N 1 0 233.355 3.849 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000310179164 388477835 /nfs/dbraw/zinc/47/78/35/388477835.db2.gz NABGHQFHUOLIRL-JSGCOSHPSA-N 1 0 233.355 3.849 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000310179165 388477799 /nfs/dbraw/zinc/47/77/99/388477799.db2.gz NABGHQFHUOLIRL-OCCSQVGLSA-N 1 0 233.355 3.849 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000310179166 388477818 /nfs/dbraw/zinc/47/78/18/388477818.db2.gz NABGHQFHUOLIRL-TZMCWYRMSA-N 1 0 233.355 3.849 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ccccc1O ZINC000310182495 635332414 /nfs/dbraw/zinc/33/24/14/635332414.db2.gz XOEQZIDIOQCXHK-UHFFFAOYSA-N 1 0 233.355 3.618 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000310183685 632706685 /nfs/dbraw/zinc/70/66/85/632706685.db2.gz XXJXLDUIQMMVCX-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000310183687 632707002 /nfs/dbraw/zinc/70/70/02/632707002.db2.gz XXJXLDUIQMMVCX-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccccn1 ZINC000310185884 632706711 /nfs/dbraw/zinc/70/67/11/632706711.db2.gz YJMDQUHQISXZNW-AWEZNQCLSA-N 1 0 232.371 3.869 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1ccccn1 ZINC000310185885 635348824 /nfs/dbraw/zinc/34/88/24/635348824.db2.gz YJMDQUHQISXZNW-CQSZACIVSA-N 1 0 232.371 3.869 20 30 BHEDRO C=CCSCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000310195122 347241399 /nfs/dbraw/zinc/24/13/99/347241399.db2.gz QZHQNYIVXQVJSB-DOMZBBRYSA-N 1 0 247.407 3.744 20 30 BHEDRO C=CCSCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000310195689 347241322 /nfs/dbraw/zinc/24/13/22/347241322.db2.gz QZHQNYIVXQVJSB-IUODEOHRSA-N 1 0 247.407 3.744 20 30 BHEDRO C=CCSCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000310195690 134600021 /nfs/dbraw/zinc/60/00/21/134600021.db2.gz QZHQNYIVXQVJSB-SWLSCSKDSA-N 1 0 247.407 3.744 20 30 BHEDRO C=CCSCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000310195691 347241421 /nfs/dbraw/zinc/24/14/21/347241421.db2.gz QZHQNYIVXQVJSB-WFASDCNBSA-N 1 0 247.407 3.744 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc2ccccc2o1 ZINC000310197780 388477227 /nfs/dbraw/zinc/47/72/27/388477227.db2.gz RNWHPXKONZXUJT-UHFFFAOYSA-N 1 0 229.323 3.879 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000310215307 388477792 /nfs/dbraw/zinc/47/77/92/388477792.db2.gz VTMKYVUAOZEOCI-HNNXBMFYSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000310215309 527171364 /nfs/dbraw/zinc/17/13/64/527171364.db2.gz VTMKYVUAOZEOCI-OAHLLOKOSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000310216799 527019815 /nfs/dbraw/zinc/01/98/15/527019815.db2.gz DMNMGEXTGMIUJZ-CHWSQXEVSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000310216801 388477206 /nfs/dbraw/zinc/47/72/06/388477206.db2.gz DMNMGEXTGMIUJZ-OLZOCXBDSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000310216802 388477564 /nfs/dbraw/zinc/47/75/64/388477564.db2.gz DMNMGEXTGMIUJZ-QWHCGFSZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000310216804 388477710 /nfs/dbraw/zinc/47/77/10/388477710.db2.gz DMNMGEXTGMIUJZ-STQMWFEESA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCCCC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000310221785 384685698 /nfs/dbraw/zinc/68/56/98/384685698.db2.gz XGVGQKKTIULXIH-CYBMUJFWSA-N 1 0 236.334 3.618 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000310221787 384686555 /nfs/dbraw/zinc/68/65/55/384686555.db2.gz XGVGQKKTIULXIH-ZDUSSCGKSA-N 1 0 236.334 3.618 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ccc(C)cn1 ZINC000310225809 632709998 /nfs/dbraw/zinc/70/99/98/632709998.db2.gz OKXWHWYKDFRTQP-UHFFFAOYSA-N 1 0 232.371 3.616 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000310226150 347249629 /nfs/dbraw/zinc/24/96/29/347249629.db2.gz GUKHPPSRWGKCEY-AWEZNQCLSA-N 1 0 234.387 3.773 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310226152 134600037 /nfs/dbraw/zinc/60/00/37/134600037.db2.gz GUKHPPSRWGKCEY-CQSZACIVSA-N 1 0 234.387 3.773 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCCC12CCCC2 ZINC000310235116 347250311 /nfs/dbraw/zinc/25/03/11/347250311.db2.gz ICBHSDMZVKMRKT-KBPBESRZSA-N 1 0 234.387 3.771 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCCC12CCCC2 ZINC000310235121 347250162 /nfs/dbraw/zinc/25/01/62/347250162.db2.gz ICBHSDMZVKMRKT-KGLIPLIRSA-N 1 0 234.387 3.771 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310235125 347250358 /nfs/dbraw/zinc/25/03/58/347250358.db2.gz ICBHSDMZVKMRKT-UONOGXRCSA-N 1 0 234.387 3.771 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310235130 347250596 /nfs/dbraw/zinc/25/05/96/347250596.db2.gz ICBHSDMZVKMRKT-ZIAGYGMSSA-N 1 0 234.387 3.771 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C[C@@H]1CC=CCC1 ZINC000310240751 388478372 /nfs/dbraw/zinc/47/83/72/388478372.db2.gz IMWOXHCPFKIVFC-CYBMUJFWSA-N 1 0 207.361 3.535 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C[C@H]1CC=CCC1 ZINC000310240754 527017911 /nfs/dbraw/zinc/01/79/11/527017911.db2.gz IMWOXHCPFKIVFC-ZDUSSCGKSA-N 1 0 207.361 3.535 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000310242014 388478362 /nfs/dbraw/zinc/47/83/62/388478362.db2.gz ISMJOSFARDEEIR-GFCCVEGCSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000310242015 527019141 /nfs/dbraw/zinc/01/91/41/527019141.db2.gz ISMJOSFARDEEIR-LBPRGKRZSA-N 1 0 209.377 3.757 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]CC1CCC(C(C)C)CC1 ZINC000310250413 388478386 /nfs/dbraw/zinc/47/83/86/388478386.db2.gz WFKYSMZFFSALTJ-NRXISQOPSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@H](CC#N)[NH2+]CC1CCC(C(C)C)CC1 ZINC000310250414 388478905 /nfs/dbraw/zinc/47/89/05/388478905.db2.gz WFKYSMZFFSALTJ-YMAMQOFZSA-N 1 0 236.403 3.731 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(OCC)cc1 ZINC000310255721 527167763 /nfs/dbraw/zinc/16/77/63/527167763.db2.gz FKRCZELWSPHPCM-UHFFFAOYSA-N 1 0 233.355 3.531 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000310263503 632712183 /nfs/dbraw/zinc/71/21/83/632712183.db2.gz DOYDVKKJBMTSGT-CABCVRRESA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000310263507 632712052 /nfs/dbraw/zinc/71/20/52/632712052.db2.gz DOYDVKKJBMTSGT-GJZGRUSLSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000310263513 632711810 /nfs/dbraw/zinc/71/18/10/632711810.db2.gz DOYDVKKJBMTSGT-HUUCEWRRSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000310263516 632711578 /nfs/dbraw/zinc/71/15/78/632711578.db2.gz DOYDVKKJBMTSGT-LSDHHAIUSA-N 1 0 241.419 3.752 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)CC1CCC(C)(C)CC1 ZINC000310266298 384733378 /nfs/dbraw/zinc/73/33/78/384733378.db2.gz RNHOMIADICSUFQ-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)CC1CCC(C)(C)CC1 ZINC000310266300 384732759 /nfs/dbraw/zinc/73/27/59/384732759.db2.gz RNHOMIADICSUFQ-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cc(C#N)cs1 ZINC000310269778 632713830 /nfs/dbraw/zinc/71/38/30/632713830.db2.gz CTVPECMVQLMJTG-UHFFFAOYSA-N 1 0 248.395 3.846 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000310275870 388479882 /nfs/dbraw/zinc/47/98/82/388479882.db2.gz JNSNGWRPQZKTOV-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000310275871 388479951 /nfs/dbraw/zinc/47/99/51/388479951.db2.gz JNSNGWRPQZKTOV-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1c(C)noc1C ZINC000310280188 632713655 /nfs/dbraw/zinc/71/36/55/632713655.db2.gz HAVNRAOMIQJRJY-UHFFFAOYSA-N 1 0 236.359 3.518 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000310281060 370331745 /nfs/dbraw/zinc/33/17/45/370331745.db2.gz XIUZZYKUABPOLH-CYBMUJFWSA-N 1 0 233.355 3.620 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000310281061 370331466 /nfs/dbraw/zinc/33/14/66/370331466.db2.gz XIUZZYKUABPOLH-ZDUSSCGKSA-N 1 0 233.355 3.620 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccccc1OCC ZINC000310296784 527168690 /nfs/dbraw/zinc/16/86/90/527168690.db2.gz PCCLHAQDZOJIRP-UHFFFAOYSA-N 1 0 233.355 3.531 20 30 BHEDRO C=CCCC[NH2+]Cc1ccccc1OC(C)C ZINC000310307418 388479761 /nfs/dbraw/zinc/47/97/61/388479761.db2.gz RYISRWTZXJAJJX-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000310308717 527170945 /nfs/dbraw/zinc/17/09/45/527170945.db2.gz SLLCSZVRRPSOBK-LLVKDONJSA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000310308718 388479832 /nfs/dbraw/zinc/47/98/32/388479832.db2.gz SLLCSZVRRPSOBK-NSHDSACASA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cnccc1C ZINC000310333877 634124755 /nfs/dbraw/zinc/12/47/55/634124755.db2.gz ZLUWUGGNLCVDRX-UHFFFAOYSA-N 1 0 232.371 3.616 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ccc(C)nc1 ZINC000310335369 632724885 /nfs/dbraw/zinc/72/48/85/632724885.db2.gz ZXIKMDZRZYBNOW-UHFFFAOYSA-N 1 0 232.371 3.616 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000310351352 384795062 /nfs/dbraw/zinc/79/50/62/384795062.db2.gz GYTWJRBQEWIINR-LLVKDONJSA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000310351353 384795272 /nfs/dbraw/zinc/79/52/72/384795272.db2.gz GYTWJRBQEWIINR-NSHDSACASA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCCCC[NH2+]C1CC(c2ccccc2)C1 ZINC000310365147 388481470 /nfs/dbraw/zinc/48/14/70/388481470.db2.gz LUGCTVZPWRGMNX-UHFFFAOYSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000310365162 526678157 /nfs/dbraw/zinc/67/81/57/526678157.db2.gz LVBXKUIZBODJDY-CWRNSKLLSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CC[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000310365163 388481978 /nfs/dbraw/zinc/48/19/78/388481978.db2.gz LVBXKUIZBODJDY-FVQBIDKESA-N 1 0 229.367 3.734 20 30 BHEDRO C=CC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000310365164 526677633 /nfs/dbraw/zinc/67/76/33/526677633.db2.gz LVBXKUIZBODJDY-NUEKZKHPSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CC[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000310365165 526677917 /nfs/dbraw/zinc/67/79/17/526677917.db2.gz LVBXKUIZBODJDY-VNQPRFMTSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000310405806 388482845 /nfs/dbraw/zinc/48/28/45/388482845.db2.gz VQMRSYWLXHSKTF-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000310405809 388482671 /nfs/dbraw/zinc/48/26/71/388482671.db2.gz VQMRSYWLXHSKTF-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000310406194 388668350 /nfs/dbraw/zinc/66/83/50/388668350.db2.gz OGIIVGMPCAYEAM-CYBMUJFWSA-N 1 0 230.355 3.569 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000310406195 388668058 /nfs/dbraw/zinc/66/80/58/388668058.db2.gz OGIIVGMPCAYEAM-ZDUSSCGKSA-N 1 0 230.355 3.569 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CC)c1ccccc1O ZINC000310421774 634145179 /nfs/dbraw/zinc/14/51/79/634145179.db2.gz ZDMNWMMIOBFCFL-AWEZNQCLSA-N 1 0 233.355 3.789 20 30 BHEDRO C=CCCCC[NH2+][C@H](CC)c1ccccc1O ZINC000310421778 632738369 /nfs/dbraw/zinc/73/83/69/632738369.db2.gz ZDMNWMMIOBFCFL-CQSZACIVSA-N 1 0 233.355 3.789 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000310422616 636030563 /nfs/dbraw/zinc/03/05/63/636030563.db2.gz OWFDZJIXVKNHEW-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000310422618 636030263 /nfs/dbraw/zinc/03/02/63/636030263.db2.gz OWFDZJIXVKNHEW-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000310422619 636030747 /nfs/dbraw/zinc/03/07/47/636030747.db2.gz OWFDZJIXVKNHEW-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000310422621 636030725 /nfs/dbraw/zinc/03/07/25/636030725.db2.gz OWFDZJIXVKNHEW-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC000310425068 388669861 /nfs/dbraw/zinc/66/98/61/388669861.db2.gz RJKSDHDGIWWFOR-CYBMUJFWSA-N 1 0 230.355 3.569 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1ccccc1C#N ZINC000310425069 388669914 /nfs/dbraw/zinc/66/99/14/388669914.db2.gz RJKSDHDGIWWFOR-ZDUSSCGKSA-N 1 0 230.355 3.569 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)C1CCCC1 ZINC000310460742 388482221 /nfs/dbraw/zinc/48/22/21/388482221.db2.gz FEPDAWYJENHLMK-GFCCVEGCSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C1CCCC1 ZINC000310460743 527020170 /nfs/dbraw/zinc/02/01/70/527020170.db2.gz FEPDAWYJENHLMK-LBPRGKRZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(Cl)o1 ZINC000310467754 388483485 /nfs/dbraw/zinc/48/34/85/388483485.db2.gz HJVVYJSQWNQKOE-UHFFFAOYSA-N 1 0 227.735 3.625 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(F)c1F ZINC000310469070 370346783 /nfs/dbraw/zinc/34/67/83/370346783.db2.gz HTTBTXVVMQRTBB-UHFFFAOYSA-N 1 0 239.309 3.657 20 30 BHEDRO CC(C)[N@H+](CCC#N)C[C@H](C)C1CCCCC1 ZINC000310483963 343509638 /nfs/dbraw/zinc/50/96/38/343509638.db2.gz MIHPEUTYFSLKSR-AWEZNQCLSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)[N@H+](CCC#N)C[C@@H](C)C1CCCCC1 ZINC000310483964 343509724 /nfs/dbraw/zinc/50/97/24/343509724.db2.gz MIHPEUTYFSLKSR-CQSZACIVSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccccc1 ZINC000310506506 527019433 /nfs/dbraw/zinc/01/94/33/527019433.db2.gz STHUQKXNEVPOKF-CYBMUJFWSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccccc1 ZINC000310506507 388483393 /nfs/dbraw/zinc/48/33/93/388483393.db2.gz STHUQKXNEVPOKF-ZDUSSCGKSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000310534849 388484992 /nfs/dbraw/zinc/48/49/92/388484992.db2.gz AMIFOKFRMNFLLG-UHFFFAOYSA-N 1 0 239.309 3.657 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1c(F)cccc1F ZINC000310537934 388485229 /nfs/dbraw/zinc/48/52/29/388485229.db2.gz BFJBHRUXPVZJNL-UHFFFAOYSA-N 1 0 239.309 3.657 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C1CC(C(C)C)C1 ZINC000310543016 388484645 /nfs/dbraw/zinc/48/46/45/388484645.db2.gz CVLPAHXMSBQZFI-UHFFFAOYSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCCCCC[NH2+]CC1(CC)CCOCC1 ZINC000310559078 323133241 /nfs/dbraw/zinc/13/32/41/323133241.db2.gz ZQOUQUDQPFEHEO-UHFFFAOYSA-N 1 0 239.403 3.529 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(F)cc1F ZINC000310564891 322965279 /nfs/dbraw/zinc/96/52/79/322965279.db2.gz LFRMKZGEDXLLSQ-UHFFFAOYSA-N 1 0 239.309 3.657 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(F)c1 ZINC000310568023 388484674 /nfs/dbraw/zinc/48/46/74/388484674.db2.gz MVZNJQQPORJONP-UHFFFAOYSA-N 1 0 221.319 3.518 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cc(F)ccc1F ZINC000310569796 388484467 /nfs/dbraw/zinc/48/44/67/388484467.db2.gz NOVWFURKYAEGRO-UHFFFAOYSA-N 1 0 239.309 3.657 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCC1(C)C ZINC000310571953 388485611 /nfs/dbraw/zinc/48/56/11/388485611.db2.gz OFSCXSRPADVYBX-GFCCVEGCSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCC1(C)C ZINC000310571954 527019733 /nfs/dbraw/zinc/01/97/33/527019733.db2.gz OFSCXSRPADVYBX-LBPRGKRZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C)s1 ZINC000310573185 388485731 /nfs/dbraw/zinc/48/57/31/388485731.db2.gz OSLLGQSRKCAEFT-UHFFFAOYSA-N 1 0 223.385 3.748 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000310584184 388485667 /nfs/dbraw/zinc/48/56/67/388485667.db2.gz TUYXYIBKZFCMBA-UHFFFAOYSA-N 1 0 239.309 3.657 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000310637990 632811294 /nfs/dbraw/zinc/81/12/94/632811294.db2.gz RMRRLQBEZAHCHD-UHFFFAOYSA-N 1 0 242.366 3.784 20 30 BHEDRO C=CCOCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000310640321 358444838 /nfs/dbraw/zinc/44/48/38/358444838.db2.gz BBDZBMUCLGRULQ-INIZCTEOSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCOCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000310640323 134600324 /nfs/dbraw/zinc/60/03/24/134600324.db2.gz BBDZBMUCLGRULQ-MRXNPFEDSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000310676599 385141183 /nfs/dbraw/zinc/14/11/83/385141183.db2.gz JMSSMKXRFUHYJK-INIZCTEOSA-N 1 0 247.382 3.628 20 30 BHEDRO C=CCCOCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000310676600 534780033 /nfs/dbraw/zinc/78/00/33/534780033.db2.gz JMSSMKXRFUHYJK-MRXNPFEDSA-N 1 0 247.382 3.628 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000310700838 632888284 /nfs/dbraw/zinc/88/82/84/632888284.db2.gz CWJMMQFQDVGAPZ-UHFFFAOYSA-N 1 0 246.398 3.589 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000310706988 358445224 /nfs/dbraw/zinc/44/52/24/358445224.db2.gz IRDBBIJEJVTPGU-INIZCTEOSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000310706989 358445159 /nfs/dbraw/zinc/44/51/59/358445159.db2.gz IRDBBIJEJVTPGU-MRXNPFEDSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000310769434 388489096 /nfs/dbraw/zinc/48/90/96/388489096.db2.gz CKFTXROMEVKWKY-CYBMUJFWSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000310769436 388488580 /nfs/dbraw/zinc/48/85/80/388488580.db2.gz CKFTXROMEVKWKY-ZDUSSCGKSA-N 1 0 247.382 3.948 20 30 BHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1C)CC(C)C ZINC000310788514 343576465 /nfs/dbraw/zinc/57/64/65/343576465.db2.gz AQZMKHZDRRDZAC-UHFFFAOYSA-N 1 0 244.382 3.735 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cccc(C)c1O ZINC000310794362 632986631 /nfs/dbraw/zinc/98/66/31/632986631.db2.gz RORNUJKCVQBXKR-UHFFFAOYSA-N 1 0 247.382 3.927 20 30 BHEDRO N#CCC1(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000310807848 347309038 /nfs/dbraw/zinc/30/90/38/347309038.db2.gz YWMUQKRIAVOYKW-AWEZNQCLSA-N 1 0 246.398 3.773 20 30 BHEDRO N#CCC1(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000310807850 347309085 /nfs/dbraw/zinc/30/90/85/347309085.db2.gz YWMUQKRIAVOYKW-CQSZACIVSA-N 1 0 246.398 3.773 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(OCC)c1 ZINC000310813813 259329234 /nfs/dbraw/zinc/32/92/34/259329234.db2.gz GIAJURXPICQRIE-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccccc1OC ZINC000310821058 388489054 /nfs/dbraw/zinc/48/90/54/388489054.db2.gz HLEVHFNLUDGUDQ-CYBMUJFWSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000310821062 388488744 /nfs/dbraw/zinc/48/87/44/388488744.db2.gz HLEVHFNLUDGUDQ-ZDUSSCGKSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000310854441 388490200 /nfs/dbraw/zinc/49/02/00/388490200.db2.gz MSWFQVYUSFSNLB-INIZCTEOSA-N 1 0 243.394 3.736 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000310854443 527019780 /nfs/dbraw/zinc/01/97/80/527019780.db2.gz MSWFQVYUSFSNLB-MRXNPFEDSA-N 1 0 243.394 3.736 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1OCC ZINC000310869434 388489742 /nfs/dbraw/zinc/48/97/42/388489742.db2.gz PLNXNKFJCQVDHZ-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO CCC[N@@H+](Cc1cc(C#N)ccc1F)CC(C)C ZINC000310871881 388671182 /nfs/dbraw/zinc/67/11/82/388671182.db2.gz SSDCQAMBSITYQU-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000310877308 527018718 /nfs/dbraw/zinc/01/87/18/527018718.db2.gz QTZJVUOJIOGSNQ-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000310878453 388489906 /nfs/dbraw/zinc/48/99/06/388489906.db2.gz HPRMRTSRGPIGPC-GFCCVEGCSA-N 1 0 248.326 3.602 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000310878455 527170220 /nfs/dbraw/zinc/17/02/20/527170220.db2.gz HPRMRTSRGPIGPC-LBPRGKRZSA-N 1 0 248.326 3.602 20 30 BHEDRO C=CCCCC[NH2+]Cc1cncc2ccccc21 ZINC000310882380 636684794 /nfs/dbraw/zinc/68/47/94/636684794.db2.gz IKFOGHULJGZWCG-UHFFFAOYSA-N 1 0 240.350 3.681 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000310890245 256532898 /nfs/dbraw/zinc/53/28/98/256532898.db2.gz UFHCTBMPCAKXAF-CYBMUJFWSA-N 1 0 242.366 3.811 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000310890246 385095191 /nfs/dbraw/zinc/09/51/91/385095191.db2.gz UFHCTBMPCAKXAF-ZDUSSCGKSA-N 1 0 242.366 3.811 20 30 BHEDRO CC(C)(C)C(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000310890295 384516329 /nfs/dbraw/zinc/51/63/29/384516329.db2.gz UHEIEGIGUZQFOI-UHFFFAOYSA-N 1 0 244.382 3.720 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000310898896 636684625 /nfs/dbraw/zinc/68/46/25/636684625.db2.gz VZUFEPJFELKFKZ-UHFFFAOYSA-N 1 0 247.382 3.696 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000310901245 385105308 /nfs/dbraw/zinc/10/53/08/385105308.db2.gz WGMZNSYXXFEUEV-CYBMUJFWSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000310901247 385105671 /nfs/dbraw/zinc/10/56/71/385105671.db2.gz WGMZNSYXXFEUEV-ZDUSSCGKSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccccc1OCC=C ZINC000310908533 388489465 /nfs/dbraw/zinc/48/94/65/388489465.db2.gz OKYUULQTIUNKAM-UHFFFAOYSA-N 1 0 245.366 3.697 20 30 BHEDRO C=CCCCC[NH2+]Cc1cccc2cccnc21 ZINC000310912014 411045051 /nfs/dbraw/zinc/04/50/51/411045051.db2.gz PHRGSSCMSWMRTI-UHFFFAOYSA-N 1 0 240.350 3.681 20 30 BHEDRO CCC[N@@H+](Cc1cc(F)ccc1C#N)CC(C)C ZINC000310913039 384532547 /nfs/dbraw/zinc/53/25/47/384532547.db2.gz FMLFTUZEZOKTFV-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000310919587 388490089 /nfs/dbraw/zinc/49/00/89/388490089.db2.gz QZUIBKCQEYNPJO-AWEZNQCLSA-N 1 0 247.382 3.659 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000310919588 527170811 /nfs/dbraw/zinc/17/08/11/527170811.db2.gz QZUIBKCQEYNPJO-CQSZACIVSA-N 1 0 247.382 3.659 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000310925779 388490193 /nfs/dbraw/zinc/49/01/93/388490193.db2.gz BGGDJJNMDKPPFE-CYBMUJFWSA-N 1 0 242.366 3.811 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000310925784 388490186 /nfs/dbraw/zinc/49/01/86/388490186.db2.gz BGGDJJNMDKPPFE-ZDUSSCGKSA-N 1 0 242.366 3.811 20 30 BHEDRO C=CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000310966670 527196969 /nfs/dbraw/zinc/19/69/69/527196969.db2.gz VAVMCRNXJPPUOD-UHFFFAOYSA-N 1 0 243.394 3.907 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccnc2ccccc12 ZINC000310992492 325107970 /nfs/dbraw/zinc/10/79/70/325107970.db2.gz HXQXDSBQIBPOPA-UHFFFAOYSA-N 1 0 240.350 3.681 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000310998435 711680352 /nfs/dbraw/zinc/68/03/52/711680352.db2.gz JECURDPYJWOSRW-CYBMUJFWSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000310998438 634199304 /nfs/dbraw/zinc/19/93/04/634199304.db2.gz JECURDPYJWOSRW-ZDUSSCGKSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000311008062 527170354 /nfs/dbraw/zinc/17/03/54/527170354.db2.gz LFMNMKDPVZYURA-AWEZNQCLSA-N 1 0 247.382 3.572 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000311008064 385278427 /nfs/dbraw/zinc/27/84/27/385278427.db2.gz LFMNMKDPVZYURA-CQSZACIVSA-N 1 0 247.382 3.572 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000311016281 388491431 /nfs/dbraw/zinc/49/14/31/388491431.db2.gz MYZLALRPJHIVBE-INIZCTEOSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000311016283 388491055 /nfs/dbraw/zinc/49/10/55/388491055.db2.gz MYZLALRPJHIVBE-MRXNPFEDSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000311017037 388490985 /nfs/dbraw/zinc/49/09/85/388490985.db2.gz NFPVHCJQLBIJTA-AWEZNQCLSA-N 1 0 247.382 3.572 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000311017038 527170961 /nfs/dbraw/zinc/17/09/61/527170961.db2.gz NFPVHCJQLBIJTA-CQSZACIVSA-N 1 0 247.382 3.572 20 30 BHEDRO CC1(C)CCC(C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000311017521 388491247 /nfs/dbraw/zinc/49/12/47/388491247.db2.gz QHMRPIJVEAQIPB-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000311026257 388490916 /nfs/dbraw/zinc/49/09/16/388490916.db2.gz CWWBDISRKZVSQR-CYBMUJFWSA-N 1 0 247.382 3.515 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000311026261 388491459 /nfs/dbraw/zinc/49/14/59/388491459.db2.gz CWWBDISRKZVSQR-ZDUSSCGKSA-N 1 0 247.382 3.515 20 30 BHEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)CC(C)(C)C ZINC000311048521 384670498 /nfs/dbraw/zinc/67/04/98/384670498.db2.gz QHGXSVFXQXMURZ-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000311056042 398058907 /nfs/dbraw/zinc/05/89/07/398058907.db2.gz HRRMTDFITMMHAX-UHFFFAOYSA-N 1 0 248.345 3.612 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000311074888 538112579 /nfs/dbraw/zinc/11/25/79/538112579.db2.gz ZZFYHLUKJYTXQA-UHFFFAOYSA-N 1 0 240.350 3.681 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCc2cccnc21 ZINC000311096849 411058428 /nfs/dbraw/zinc/05/84/28/411058428.db2.gz SIKXRMCTOCXTCL-AWEZNQCLSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000311096850 411313965 /nfs/dbraw/zinc/31/39/65/411313965.db2.gz SIKXRMCTOCXTCL-CQSZACIVSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000311105834 633067225 /nfs/dbraw/zinc/06/72/25/633067225.db2.gz VHJUTXPMZQLPOK-CYBMUJFWSA-N 1 0 249.373 3.949 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000311105835 633068357 /nfs/dbraw/zinc/06/83/57/633068357.db2.gz VHJUTXPMZQLPOK-ZDUSSCGKSA-N 1 0 249.373 3.949 20 30 BHEDRO CC[N@H+](Cc1cc(F)ccc1C#N)CC(C)(C)C ZINC000311106985 388673356 /nfs/dbraw/zinc/67/33/56/388673356.db2.gz DKIAFTQQFSQUFQ-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C)ccc1OC ZINC000311126100 388493639 /nfs/dbraw/zinc/49/36/39/388493639.db2.gz AYAXFYNZHKZNKU-UHFFFAOYSA-N 1 0 247.382 3.696 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OCC)cc1 ZINC000311158529 527018116 /nfs/dbraw/zinc/01/81/16/527018116.db2.gz LLTXCTMMEFVHDX-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000311174124 388493019 /nfs/dbraw/zinc/49/30/19/388493019.db2.gz SQHUSWMATXFPNH-UHFFFAOYSA-N 1 0 247.382 3.701 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000311178421 370389394 /nfs/dbraw/zinc/38/93/94/370389394.db2.gz WAGUHQXFWUERHN-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000311179669 385217443 /nfs/dbraw/zinc/21/74/43/385217443.db2.gz WWRKLIFEPKLONT-CYBMUJFWSA-N 1 0 249.373 3.949 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000311179670 385220412 /nfs/dbraw/zinc/22/04/12/385220412.db2.gz WWRKLIFEPKLONT-ZDUSSCGKSA-N 1 0 249.373 3.949 20 30 BHEDRO CC[N@H+](Cc1cccc(C#N)c1F)CC(C)(C)C ZINC000311182624 384815450 /nfs/dbraw/zinc/81/54/50/384815450.db2.gz ZJSXTUWVFXPTMP-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000311184248 634233676 /nfs/dbraw/zinc/23/36/76/634233676.db2.gz BIUHYIXXYGEQCY-NXNVCVFFSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000311184249 634233054 /nfs/dbraw/zinc/23/30/54/634233054.db2.gz BIUHYIXXYGEQCY-XJNFMUPTSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000311184250 633082462 /nfs/dbraw/zinc/08/24/62/633082462.db2.gz BIUHYIXXYGEQCY-YALNPMBYSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000311184251 633082943 /nfs/dbraw/zinc/08/29/43/633082943.db2.gz BIUHYIXXYGEQCY-YQFWSFKMSA-N 1 0 241.378 3.570 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1F ZINC000311192550 388673148 /nfs/dbraw/zinc/67/31/48/388673148.db2.gz FBWNXLYIDJVNBV-GFCCVEGCSA-N 1 0 248.345 3.708 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1F ZINC000311192551 388672669 /nfs/dbraw/zinc/67/26/69/388672669.db2.gz FBWNXLYIDJVNBV-LBPRGKRZSA-N 1 0 248.345 3.708 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000311193913 384861710 /nfs/dbraw/zinc/86/17/10/384861710.db2.gz FNHFCKJBRGLLPH-GFCCVEGCSA-N 1 0 248.345 3.708 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000311193914 384861946 /nfs/dbraw/zinc/86/19/46/384861946.db2.gz FNHFCKJBRGLLPH-LBPRGKRZSA-N 1 0 248.345 3.708 20 30 BHEDRO C=CCCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000311195907 633083559 /nfs/dbraw/zinc/08/35/59/633083559.db2.gz IAWAFLFHZVYRCA-UHFFFAOYSA-N 1 0 240.350 3.681 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000311199331 534694768 /nfs/dbraw/zinc/69/47/68/534694768.db2.gz JRTJBHIQATUQJR-INIZCTEOSA-N 1 0 245.366 3.716 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000311199333 534694726 /nfs/dbraw/zinc/69/47/26/534694726.db2.gz JRTJBHIQATUQJR-MRXNPFEDSA-N 1 0 245.366 3.716 20 30 BHEDRO C[C@@H](C[NH+]1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000311200287 385237396 /nfs/dbraw/zinc/23/73/96/385237396.db2.gz HJMVTBODNBQRKA-AWEZNQCLSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H](C[NH+]1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000311200288 256534347 /nfs/dbraw/zinc/53/43/47/256534347.db2.gz HJMVTBODNBQRKA-CQSZACIVSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000311204087 385243480 /nfs/dbraw/zinc/24/34/80/385243480.db2.gz LVSDNLKVNQXDRT-GFCCVEGCSA-N 1 0 248.326 3.602 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000311204089 385244562 /nfs/dbraw/zinc/24/45/62/385244562.db2.gz LVSDNLKVNQXDRT-LBPRGKRZSA-N 1 0 248.326 3.602 20 30 BHEDRO C=CCCCC[NH2+]Cc1cccc2cnccc21 ZINC000311230853 633068046 /nfs/dbraw/zinc/06/80/46/633068046.db2.gz ZTFDKUNNMIZWDU-UHFFFAOYSA-N 1 0 240.350 3.681 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000311233989 259330272 /nfs/dbraw/zinc/33/02/72/259330272.db2.gz SDKRKZVWZKJPAY-GFCCVEGCSA-N 1 0 248.345 3.708 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000311234070 259330281 /nfs/dbraw/zinc/33/02/81/259330281.db2.gz SDKRKZVWZKJPAY-LBPRGKRZSA-N 1 0 248.345 3.708 20 30 BHEDRO C=C(C)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312580212 256524984 /nfs/dbraw/zinc/52/49/84/256524984.db2.gz KHIBLUNPDDVSJA-UHFFFAOYSA-N 1 0 236.167 3.721 20 30 BHEDRO C#CCCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312599366 641443585 /nfs/dbraw/zinc/44/35/85/641443585.db2.gz KJMKLZIISQSCBL-UHFFFAOYSA-N 1 0 248.178 3.558 20 30 BHEDRO C=CCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602095 411183172 /nfs/dbraw/zinc/18/31/72/411183172.db2.gz MQXDWCKQKPTVMP-UHFFFAOYSA-N 1 0 236.167 3.721 20 30 BHEDRO CC#CCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312604310 409820794 /nfs/dbraw/zinc/82/07/94/409820794.db2.gz PATUIHNWIAUOIE-UHFFFAOYSA-N 1 0 248.178 3.558 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312608679 256526201 /nfs/dbraw/zinc/52/62/01/256526201.db2.gz UCOPNUFLGYQHDR-LURJTMIESA-N 1 0 236.167 3.719 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312608680 256526369 /nfs/dbraw/zinc/52/63/69/256526369.db2.gz UCOPNUFLGYQHDR-ZCFIWIBFSA-N 1 0 236.167 3.719 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ccsc1Cl ZINC000312614552 256526274 /nfs/dbraw/zinc/52/62/74/256526274.db2.gz NTJVNEQKLZSGMY-UHFFFAOYSA-N 1 0 229.776 3.703 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313003072 385099179 /nfs/dbraw/zinc/09/91/79/385099179.db2.gz AUZXUAXRBRLOAL-AWEZNQCLSA-N 1 0 234.387 3.773 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313003074 385097760 /nfs/dbraw/zinc/09/77/60/385097760.db2.gz AUZXUAXRBRLOAL-CQSZACIVSA-N 1 0 234.387 3.773 20 30 BHEDRO N#CCC1(C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000313015686 385155427 /nfs/dbraw/zinc/15/54/27/385155427.db2.gz JUDDNEMSFPKUPE-AWEZNQCLSA-N 1 0 246.398 3.773 20 30 BHEDRO N#CCC1(C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000313015688 385155724 /nfs/dbraw/zinc/15/57/24/385155724.db2.gz JUDDNEMSFPKUPE-CQSZACIVSA-N 1 0 246.398 3.773 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313094846 383866364 /nfs/dbraw/zinc/86/63/64/383866364.db2.gz DDCBZQNYRIFUMB-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313094852 383866625 /nfs/dbraw/zinc/86/66/25/383866625.db2.gz DDCBZQNYRIFUMB-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCC12CCCCC2 ZINC000313096443 383870915 /nfs/dbraw/zinc/87/09/15/383870915.db2.gz DRAGTVOSKUPUSM-KBPBESRZSA-N 1 0 234.387 3.771 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCC12CCCCC2 ZINC000313096444 383868787 /nfs/dbraw/zinc/86/87/87/383868787.db2.gz DRAGTVOSKUPUSM-KGLIPLIRSA-N 1 0 234.387 3.771 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313096445 383870136 /nfs/dbraw/zinc/87/01/36/383870136.db2.gz DRAGTVOSKUPUSM-UONOGXRCSA-N 1 0 234.387 3.771 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313096447 383870343 /nfs/dbraw/zinc/87/03/43/383870343.db2.gz DRAGTVOSKUPUSM-ZIAGYGMSSA-N 1 0 234.387 3.771 20 30 BHEDRO CCC[C@H]([NH2+][C@@H](CC)CC#N)C1CCCC1 ZINC000313395395 259334271 /nfs/dbraw/zinc/33/42/71/259334271.db2.gz HMXWPHFRGBNJMR-KBPBESRZSA-N 1 0 222.376 3.627 20 30 BHEDRO CCC[C@H]([NH2+][C@H](CC)CC#N)C1CCCC1 ZINC000313395396 259334492 /nfs/dbraw/zinc/33/44/92/259334492.db2.gz HMXWPHFRGBNJMR-KGLIPLIRSA-N 1 0 222.376 3.627 20 30 BHEDRO CCC[C@@H]([NH2+][C@@H](CC)CC#N)C1CCCC1 ZINC000313395398 259334344 /nfs/dbraw/zinc/33/43/44/259334344.db2.gz HMXWPHFRGBNJMR-UONOGXRCSA-N 1 0 222.376 3.627 20 30 BHEDRO CCC[C@@H]([NH2+][C@H](CC)CC#N)C1CCCC1 ZINC000313395400 259334346 /nfs/dbraw/zinc/33/43/46/259334346.db2.gz HMXWPHFRGBNJMR-ZIAGYGMSSA-N 1 0 222.376 3.627 20 30 BHEDRO CC(C)(C)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000313470460 326267958 /nfs/dbraw/zinc/26/79/58/326267958.db2.gz OJECYHVSRNOSGM-UHFFFAOYSA-N 1 0 248.345 3.613 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000313476865 384413590 /nfs/dbraw/zinc/41/35/90/384413590.db2.gz BHJPVTXEEKCREX-GHMZBOCLSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000313476867 256549356 /nfs/dbraw/zinc/54/93/56/256549356.db2.gz BHJPVTXEEKCREX-MNOVXSKESA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000313476868 384414511 /nfs/dbraw/zinc/41/45/11/384414511.db2.gz BHJPVTXEEKCREX-QWRGUYRKSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000313476869 384414285 /nfs/dbraw/zinc/41/42/85/384414285.db2.gz BHJPVTXEEKCREX-WDEREUQCSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000313479698 322956986 /nfs/dbraw/zinc/95/69/86/322956986.db2.gz HRJARGFDUQOSEC-CYBMUJFWSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000313479699 384418198 /nfs/dbraw/zinc/41/81/98/384418198.db2.gz HRJARGFDUQOSEC-ZDUSSCGKSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(CC)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000313481420 491125920 /nfs/dbraw/zinc/12/59/20/491125920.db2.gz LQJRDGRBIZIXIQ-UHFFFAOYSA-N 1 0 233.330 3.628 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000313482158 370590394 /nfs/dbraw/zinc/59/03/94/370590394.db2.gz MCQBXPIRQMMMRL-UHFFFAOYSA-N 1 0 225.282 3.680 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000313482371 344079375 /nfs/dbraw/zinc/07/93/75/344079375.db2.gz MZVFZVASLXCSHY-HNNXBMFYSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000313482372 358446965 /nfs/dbraw/zinc/44/69/65/358446965.db2.gz MZVFZVASLXCSHY-OAHLLOKOSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000313482790 491125953 /nfs/dbraw/zinc/12/59/53/491125953.db2.gz MNZVNZJXSLBTOE-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000313482792 491125955 /nfs/dbraw/zinc/12/59/55/491125955.db2.gz MNZVNZJXSLBTOE-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(CC)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000313483617 370591371 /nfs/dbraw/zinc/59/13/71/370591371.db2.gz OWXOKIRXNPDSFM-HNNXBMFYSA-N 1 0 233.330 3.833 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000313483618 344079157 /nfs/dbraw/zinc/07/91/57/344079157.db2.gz OWXOKIRXNPDSFM-OAHLLOKOSA-N 1 0 233.330 3.833 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000313484897 398257128 /nfs/dbraw/zinc/25/71/28/398257128.db2.gz SAJFKRAFHYMWLN-CYBMUJFWSA-N 1 0 233.380 3.779 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCSc2ccccc21 ZINC000313485551 259335780 /nfs/dbraw/zinc/33/57/80/259335780.db2.gz SAJFKRAFHYMWLN-ZDUSSCGKSA-N 1 0 233.380 3.779 20 30 BHEDRO C=C(CC)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000313485760 259335737 /nfs/dbraw/zinc/33/57/37/259335737.db2.gz UDEWEJKUMKARRM-UHFFFAOYSA-N 1 0 233.330 3.628 20 30 BHEDRO C=C(CC)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000313486247 259335683 /nfs/dbraw/zinc/33/56/83/259335683.db2.gz VETMWAQNMMKEEE-UHFFFAOYSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(CC)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000313487985 259335705 /nfs/dbraw/zinc/33/57/05/259335705.db2.gz ZEGULBPSKQHPEH-UHFFFAOYSA-N 1 0 233.330 3.628 20 30 BHEDRO C=C(CC)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000313488036 259335679 /nfs/dbraw/zinc/33/56/79/259335679.db2.gz ZXJHWUFBJPVWFV-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=C(CC)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000313490392 326268250 /nfs/dbraw/zinc/26/82/50/326268250.db2.gz VRPIOHLEQMBSIW-INIZCTEOSA-N 1 0 245.366 3.702 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000313490393 326268358 /nfs/dbraw/zinc/26/83/58/326268358.db2.gz VRPIOHLEQMBSIW-MRXNPFEDSA-N 1 0 245.366 3.702 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000313492252 384421851 /nfs/dbraw/zinc/42/18/51/384421851.db2.gz NBUZANIAXQJESZ-UHFFFAOYSA-N 1 0 240.350 3.599 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1ccsc1 ZINC000313493122 384421652 /nfs/dbraw/zinc/42/16/52/384421652.db2.gz FFHIWLXMHRIBGY-GFCCVEGCSA-N 1 0 209.358 3.755 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccsc1 ZINC000313493123 256550126 /nfs/dbraw/zinc/55/01/26/256550126.db2.gz FFHIWLXMHRIBGY-LBPRGKRZSA-N 1 0 209.358 3.755 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000313493732 256550131 /nfs/dbraw/zinc/55/01/31/256550131.db2.gz GFJUQKZHWAQRRS-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000313493733 384420434 /nfs/dbraw/zinc/42/04/34/384420434.db2.gz GFJUQKZHWAQRRS-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1csc(C)c1 ZINC000313494349 384422595 /nfs/dbraw/zinc/42/25/95/384422595.db2.gz HGAWJRSVNMLTDV-LLVKDONJSA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000313494350 384422887 /nfs/dbraw/zinc/42/28/87/384422887.db2.gz HGAWJRSVNMLTDV-NSHDSACASA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000313494361 256550183 /nfs/dbraw/zinc/55/01/83/256550183.db2.gz HKVYBAZTPIEBNG-JTQLQIEISA-N 1 0 223.282 3.663 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000313494362 384422957 /nfs/dbraw/zinc/42/29/57/384422957.db2.gz HKVYBAZTPIEBNG-SNVBAGLBSA-N 1 0 223.282 3.663 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000313496860 634473714 /nfs/dbraw/zinc/47/37/14/634473714.db2.gz JPHOMTBUQGFXAA-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000313496861 634472073 /nfs/dbraw/zinc/47/20/73/634472073.db2.gz JPHOMTBUQGFXAA-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000313497584 384428250 /nfs/dbraw/zinc/42/82/50/384428250.db2.gz DFHFAKSGLGOCPW-AWEZNQCLSA-N 1 0 247.382 3.572 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000313497585 262724765 /nfs/dbraw/zinc/72/47/65/262724765.db2.gz DFHFAKSGLGOCPW-CQSZACIVSA-N 1 0 247.382 3.572 20 30 BHEDRO C=C(CC)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000313498209 259336460 /nfs/dbraw/zinc/33/64/60/259336460.db2.gz MVEFBOBYHVUBCG-UHFFFAOYSA-N 1 0 229.367 3.797 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000313498631 344088563 /nfs/dbraw/zinc/08/85/63/344088563.db2.gz FXTPIOFNXRLJAX-AWEZNQCLSA-N 1 0 248.326 3.602 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000313498636 344088859 /nfs/dbraw/zinc/08/88/59/344088859.db2.gz FXTPIOFNXRLJAX-CQSZACIVSA-N 1 0 248.326 3.602 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1sccc1C ZINC000313498764 259336046 /nfs/dbraw/zinc/33/60/46/259336046.db2.gz GPURNJVHIBCQMP-LLVKDONJSA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1sccc1C ZINC000313498765 259336424 /nfs/dbraw/zinc/33/64/24/259336424.db2.gz GPURNJVHIBCQMP-NSHDSACASA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000313506335 323092562 /nfs/dbraw/zinc/09/25/62/323092562.db2.gz QYJVUSIECXKGNN-GFCCVEGCSA-N 1 0 248.326 3.520 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000313506337 323092518 /nfs/dbraw/zinc/09/25/18/323092518.db2.gz QYJVUSIECXKGNN-LBPRGKRZSA-N 1 0 248.326 3.520 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000313529311 344098541 /nfs/dbraw/zinc/09/85/41/344098541.db2.gz CABLBMIBQQAJQW-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccccc1OC ZINC000313532757 344099065 /nfs/dbraw/zinc/09/90/65/344099065.db2.gz HFAUADMDTGITLN-AWEZNQCLSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1ccccc1OC ZINC000313532759 344099396 /nfs/dbraw/zinc/09/93/96/344099396.db2.gz HFAUADMDTGITLN-CQSZACIVSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000313534762 385190605 /nfs/dbraw/zinc/19/06/05/385190605.db2.gz KSFVMYYZZOJBEY-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccccc1OC(C)C ZINC000313535280 259336407 /nfs/dbraw/zinc/33/64/07/259336407.db2.gz LJQLFULGVJARPV-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000313539120 711727514 /nfs/dbraw/zinc/72/75/14/711727514.db2.gz PSBURPAYGSAZHD-CYBMUJFWSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000313539122 711727486 /nfs/dbraw/zinc/72/74/86/711727486.db2.gz PSBURPAYGSAZHD-ZDUSSCGKSA-N 1 0 233.355 3.620 20 30 BHEDRO C=CCC(C)(C)C[NH2+]CC1(OC)CCCCC1 ZINC000318959964 386070045 /nfs/dbraw/zinc/07/00/45/386070045.db2.gz CJKVGNMMQFJJDK-UHFFFAOYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCC[NH2+]CC1(OC)CCCC1 ZINC000319408191 641604153 /nfs/dbraw/zinc/60/41/53/641604153.db2.gz GNILMIHLSROQHA-UHFFFAOYSA-N 1 0 239.403 3.672 20 30 BHEDRO CC(C)(C#N)CCC[NH+]1CCCCCCCC1 ZINC000321974903 644184084 /nfs/dbraw/zinc/18/40/84/644184084.db2.gz SJUCPZFDUOHVMY-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO CC(C)(C#N)CC[NH+]1CCCCCCCC1 ZINC000322004199 636791934 /nfs/dbraw/zinc/79/19/34/636791934.db2.gz YJYWURAZMUVNOQ-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)[C@@H]1C[C@H]1C ZINC000322007652 385910135 /nfs/dbraw/zinc/91/01/35/385910135.db2.gz IAYMBKGTQBQWAV-BHTHQVBYSA-N 1 0 242.366 3.643 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)[C@H]1C[C@H]1C ZINC000322007653 259483710 /nfs/dbraw/zinc/48/37/10/259483710.db2.gz IAYMBKGTQBQWAV-MPTQWLOMSA-N 1 0 242.366 3.643 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)[C@@H]1C[C@@H]1C ZINC000322007655 385910061 /nfs/dbraw/zinc/91/00/61/385910061.db2.gz IAYMBKGTQBQWAV-OJDYBEQGSA-N 1 0 242.366 3.643 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)[C@H]1C[C@@H]1C ZINC000322007656 385910491 /nfs/dbraw/zinc/91/04/91/385910491.db2.gz IAYMBKGTQBQWAV-VZAMPYOESA-N 1 0 242.366 3.643 20 30 BHEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC000322263201 385686064 /nfs/dbraw/zinc/68/60/64/385686064.db2.gz HUHJDIMMOSHMJR-INIZCTEOSA-N 1 0 242.366 3.617 20 30 BHEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC000322263202 385686536 /nfs/dbraw/zinc/68/65/36/385686536.db2.gz HUHJDIMMOSHMJR-MRXNPFEDSA-N 1 0 242.366 3.617 20 30 BHEDRO CCC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC000322263833 385687825 /nfs/dbraw/zinc/68/78/25/385687825.db2.gz IBBIXWHVIZPZHL-INIZCTEOSA-N 1 0 242.366 3.617 20 30 BHEDRO CCC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC000322263834 259703334 /nfs/dbraw/zinc/70/33/34/259703334.db2.gz IBBIXWHVIZPZHL-MRXNPFEDSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[N@H+](CC/C=C\c1ccccc1)C[C@H](C)C#N ZINC000323435649 385150059 /nfs/dbraw/zinc/15/00/59/385150059.db2.gz RBRQBTPLBZMIIM-OCOPJHETSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[N@H+](CC/C=C\c1ccccc1)C[C@@H](C)C#N ZINC000323435656 385155576 /nfs/dbraw/zinc/15/55/76/385155576.db2.gz RBRQBTPLBZMIIM-QARUFBMTSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[N@H+](CC/C=C/c1ccccc1)C[C@@H](C)C#N ZINC000323435659 385152798 /nfs/dbraw/zinc/15/27/98/385152798.db2.gz RBRQBTPLBZMIIM-USYSOWRXSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[N@H+](CC/C=C/c1ccccc1)C[C@H](C)C#N ZINC000323435660 385153968 /nfs/dbraw/zinc/15/39/68/385153968.db2.gz RBRQBTPLBZMIIM-XKOZXHHJSA-N 1 0 242.366 3.571 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)C1CC1 ZINC000323740522 262753371 /nfs/dbraw/zinc/75/33/71/262753371.db2.gz QBJVVUUVUOVUAD-HNNXBMFYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)C1CC1 ZINC000323740524 262753358 /nfs/dbraw/zinc/75/33/58/262753358.db2.gz QBJVVUUVUOVUAD-OAHLLOKOSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)C2CC2)cc1 ZINC000323805264 323073363 /nfs/dbraw/zinc/07/33/63/323073363.db2.gz HOEBBLOGCQFLBH-INIZCTEOSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](CC)C2CC2)cc1 ZINC000323805265 323073403 /nfs/dbraw/zinc/07/34/03/323073403.db2.gz HOEBBLOGCQFLBH-MRXNPFEDSA-N 1 0 245.366 3.530 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000324204357 350287348 /nfs/dbraw/zinc/28/73/48/350287348.db2.gz BVRBSVCAYHSBEV-BLLLJJGKSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000324204363 350287760 /nfs/dbraw/zinc/28/77/60/350287760.db2.gz BVRBSVCAYHSBEV-LRDDRELGSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000324204368 356161940 /nfs/dbraw/zinc/16/19/40/356161940.db2.gz BVRBSVCAYHSBEV-MLGOLLRUSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000324204373 350287510 /nfs/dbraw/zinc/28/75/10/350287510.db2.gz BVRBSVCAYHSBEV-WBMJQRKESA-N 1 0 242.366 3.643 20 30 BHEDRO C=C(C[NH2+][C@@H](C(C)C)C1CC1)c1ccccc1 ZINC000324214115 537913026 /nfs/dbraw/zinc/91/30/26/537913026.db2.gz DJXYPDSTLDOOQP-INIZCTEOSA-N 1 0 229.367 3.724 20 30 BHEDRO C=C(C[NH2+][C@H](C(C)C)C1CC1)c1ccccc1 ZINC000324214116 537913046 /nfs/dbraw/zinc/91/30/46/537913046.db2.gz DJXYPDSTLDOOQP-MRXNPFEDSA-N 1 0 229.367 3.724 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000324323629 350292954 /nfs/dbraw/zinc/29/29/54/350292954.db2.gz YVQIAAVADMKXAG-BLLLJJGKSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000324323630 350292505 /nfs/dbraw/zinc/29/25/05/350292505.db2.gz YVQIAAVADMKXAG-LRDDRELGSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000324323632 350292345 /nfs/dbraw/zinc/29/23/45/350292345.db2.gz YVQIAAVADMKXAG-MLGOLLRUSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000324323633 350292375 /nfs/dbraw/zinc/29/23/75/350292375.db2.gz YVQIAAVADMKXAG-WBMJQRKESA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)(C)[C@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000324448300 641874191 /nfs/dbraw/zinc/87/41/91/641874191.db2.gz WPKDLRCINNDCNS-CYBMUJFWSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(C)[C@@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000324448302 641874474 /nfs/dbraw/zinc/87/44/74/641874474.db2.gz WPKDLRCINNDCNS-ZDUSSCGKSA-N 1 0 236.403 3.731 20 30 BHEDRO CCC[C@H]([NH2+]Cc1cc(C#N)cs1)C1CCC1 ZINC000324790919 323282488 /nfs/dbraw/zinc/28/24/88/323282488.db2.gz JVSWZBIIKWSYLP-AWEZNQCLSA-N 1 0 248.395 3.678 20 30 BHEDRO CCC[C@@H]([NH2+]Cc1cc(C#N)cs1)C1CCC1 ZINC000324790920 323282553 /nfs/dbraw/zinc/28/25/53/323282553.db2.gz JVSWZBIIKWSYLP-CQSZACIVSA-N 1 0 248.395 3.678 20 30 BHEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC000324819566 387872793 /nfs/dbraw/zinc/87/27/93/387872793.db2.gz RRDSOOAPDFJKSQ-AWEZNQCLSA-N 1 0 248.395 3.678 20 30 BHEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC000324819568 262795786 /nfs/dbraw/zinc/79/57/86/262795786.db2.gz RRDSOOAPDFJKSQ-CQSZACIVSA-N 1 0 248.395 3.678 20 30 BHEDRO CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1CCC1 ZINC000324935238 386696700 /nfs/dbraw/zinc/69/67/00/386696700.db2.gz OTIFUJPSGINAOY-AWEZNQCLSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1CCC1 ZINC000324935239 386699879 /nfs/dbraw/zinc/69/98/79/386699879.db2.gz OTIFUJPSGINAOY-CQSZACIVSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@H]([NH2+]CCCC(C)(C)C#N)C1CCC1 ZINC000324954628 386703436 /nfs/dbraw/zinc/70/34/36/386703436.db2.gz IBIMHHCINPUBBB-AWEZNQCLSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H]([NH2+]CCCC(C)(C)C#N)C1CCC1 ZINC000324954630 262798713 /nfs/dbraw/zinc/79/87/13/262798713.db2.gz IBIMHHCINPUBBB-CQSZACIVSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C(C1CCC1)C1CCC1 ZINC000325021655 356471013 /nfs/dbraw/zinc/47/10/13/356471013.db2.gz GIORGBKCHCWEJI-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325044842 323309289 /nfs/dbraw/zinc/30/92/89/323309289.db2.gz NQDCAIOKILITNB-BXUZGUMPSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C1CC1)C1CCC1 ZINC000325044844 323308872 /nfs/dbraw/zinc/30/88/72/323308872.db2.gz NQDCAIOKILITNB-FZMZJTMJSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C1CC1)C1CCC1 ZINC000325044846 323308680 /nfs/dbraw/zinc/30/86/80/323308680.db2.gz NQDCAIOKILITNB-RISCZKNCSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325044847 323309264 /nfs/dbraw/zinc/30/92/64/323309264.db2.gz NQDCAIOKILITNB-SMDDNHRTSA-N 1 0 207.361 3.509 20 30 BHEDRO C[C@H](C1CCC1)[N@H+](C)CCCCC(C)(C)C#N ZINC000325818873 387548464 /nfs/dbraw/zinc/54/84/64/387548464.db2.gz LVKYIBMNHZRBJD-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H](C1CCC1)[N@H+](C)CCCCC(C)(C)C#N ZINC000325818874 387548214 /nfs/dbraw/zinc/54/82/14/387548214.db2.gz LVKYIBMNHZRBJD-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328151982 388549465 /nfs/dbraw/zinc/54/94/65/388549465.db2.gz FNDLTAYHHHRYQI-CYBMUJFWSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328151985 388549456 /nfs/dbraw/zinc/54/94/56/388549456.db2.gz FNDLTAYHHHRYQI-ZDUSSCGKSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCC12CCCC2 ZINC000328157544 388558439 /nfs/dbraw/zinc/55/84/39/388558439.db2.gz HFKFYJUPCWGWIP-CHWSQXEVSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCC12CCCC2 ZINC000328157545 262965945 /nfs/dbraw/zinc/96/59/45/262965945.db2.gz HFKFYJUPCWGWIP-OLZOCXBDSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC12CCCC2 ZINC000328157547 355389289 /nfs/dbraw/zinc/38/92/89/355389289.db2.gz HFKFYJUPCWGWIP-QWHCGFSZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCC12CCCC2 ZINC000328157549 323040654 /nfs/dbraw/zinc/04/06/54/323040654.db2.gz HFKFYJUPCWGWIP-STQMWFEESA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCCCC[NH2+]Cc1csc(CC)n1 ZINC000328282182 364822853 /nfs/dbraw/zinc/82/28/53/364822853.db2.gz PUCQHBPQBOWUPD-UHFFFAOYSA-N 1 0 238.400 3.542 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CCOC1(C)C ZINC000328464463 633769209 /nfs/dbraw/zinc/76/92/09/633769209.db2.gz WKTVMTXOIZNHEY-ZDUSSCGKSA-N 1 0 227.392 3.504 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCC(C)(C)C1CC1 ZINC000328471144 324568729 /nfs/dbraw/zinc/56/87/29/324568729.db2.gz ZUKWNIHRXUACOY-GFCCVEGCSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCC(C)(C)C1CC1 ZINC000328471145 324568939 /nfs/dbraw/zinc/56/89/39/324568939.db2.gz ZUKWNIHRXUACOY-LBPRGKRZSA-N 1 0 209.377 3.757 20 30 BHEDRO CC(C)(CC[NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000328552225 384697109 /nfs/dbraw/zinc/69/71/09/384697109.db2.gz VEFLTTCEVCFHFP-UHFFFAOYSA-N 1 0 248.395 3.536 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CCC(C)(C)C1CC1 ZINC000328564748 363891564 /nfs/dbraw/zinc/89/15/64/363891564.db2.gz KSQZVQUKUWURSD-UHFFFAOYSA-N 1 0 236.403 3.732 20 30 BHEDRO CC1(C#N)CC[NH+]([C@H]2/C=C/CCCCC2)CC1 ZINC000334244697 346451517 /nfs/dbraw/zinc/45/15/17/346451517.db2.gz CCHOVYCOMKFBDU-DYLGSBMWSA-N 1 0 232.371 3.501 20 30 BHEDRO CC1(C#N)CC[NH+]([C@@H]2/C=C/CCCCC2)CC1 ZINC000334244700 346451437 /nfs/dbraw/zinc/45/14/37/346451437.db2.gz CCHOVYCOMKFBDU-HZRUHFOJSA-N 1 0 232.371 3.501 20 30 BHEDRO CC[C@@H](c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000334244944 352834358 /nfs/dbraw/zinc/83/43/58/352834358.db2.gz RJADLJBPLGMHND-HNNXBMFYSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@H](c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000334244945 352834520 /nfs/dbraw/zinc/83/45/20/352834520.db2.gz RJADLJBPLGMHND-OAHLLOKOSA-N 1 0 242.366 3.763 20 30 BHEDRO N#CCC1CC[NH+]([C@@H]2/C=C/CCCCC2)CC1 ZINC000334444229 386066544 /nfs/dbraw/zinc/06/65/44/386066544.db2.gz GBTSTIDBLJLZJC-CSPWOOARSA-N 1 0 232.371 3.501 20 30 BHEDRO N#CCC1CC[NH+]([C@H]2/C=C/CCCCC2)CC1 ZINC000334444230 386064886 /nfs/dbraw/zinc/06/48/86/386064886.db2.gz GBTSTIDBLJLZJC-DRDHIDPGSA-N 1 0 232.371 3.501 20 30 BHEDRO C[C@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000334576105 354107912 /nfs/dbraw/zinc/10/79/12/354107912.db2.gz HOXMHTGSUBUXGR-RBAFREBBSA-N 1 0 234.387 3.627 20 30 BHEDRO N#CC1CCC(C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000334608133 354315713 /nfs/dbraw/zinc/31/57/13/354315713.db2.gz PEPGDMAESAUZBX-NRXISQOPSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1CCC(C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000334608134 133506096 /nfs/dbraw/zinc/50/60/96/133506096.db2.gz PEPGDMAESAUZBX-YMAMQOFZSA-N 1 0 246.398 3.629 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1CCCC1 ZINC000334619591 354308362 /nfs/dbraw/zinc/30/83/62/354308362.db2.gz BOZCWTVTBVOPSM-GRTSSRMGSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C[NH2+]C2CCC(C)(C#N)CC2)CCCC1 ZINC000334622912 354361296 /nfs/dbraw/zinc/36/12/96/354361296.db2.gz GNYGGFBDOLHKIE-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000334651056 354444008 /nfs/dbraw/zinc/44/40/08/354444008.db2.gz FWQQUFNYNOCUAJ-JVWICGRDSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000334651057 354443640 /nfs/dbraw/zinc/44/36/40/354443640.db2.gz FWQQUFNYNOCUAJ-OWYJLGKBSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C#N)CCC([NH2+]CC2=CCCCC2)CC1 ZINC000334653075 535273552 /nfs/dbraw/zinc/27/35/52/535273552.db2.gz QYSVGKRVMHZGTO-UHFFFAOYSA-N 1 0 232.371 3.549 20 30 BHEDRO Cc1csc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000334678721 354423218 /nfs/dbraw/zinc/42/32/18/354423218.db2.gz MFPZOHXEIWZZOK-UHFFFAOYSA-N 1 0 248.395 3.619 20 30 BHEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C1CCCC1 ZINC000334680526 354426836 /nfs/dbraw/zinc/42/68/36/354426836.db2.gz BOZCWTVTBVOPSM-LRVUVFPRSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C#N)CCC([NH2+]C2(C3CCC3)CCC2)CC1 ZINC000334837128 386878632 /nfs/dbraw/zinc/87/86/32/386878632.db2.gz UPNPDGBKFQJUGY-UHFFFAOYSA-N 1 0 246.398 3.771 20 30 BHEDRO N#CC1(C[N@@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000334839071 383965934 /nfs/dbraw/zinc/96/59/34/383965934.db2.gz LPHKEKGFGSOOND-HNNXBMFYSA-N 1 0 240.350 3.517 20 30 BHEDRO N#CC1(C[N@@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000334839077 383965803 /nfs/dbraw/zinc/96/58/03/383965803.db2.gz LPHKEKGFGSOOND-OAHLLOKOSA-N 1 0 240.350 3.517 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000335172766 354937962 /nfs/dbraw/zinc/93/79/62/354937962.db2.gz AMXUDVHHOAPCSL-KBPBESRZSA-N 1 0 246.398 3.771 20 30 BHEDRO C[C@@H]1c2ccccc2C[N@H+]1CCC(C)(C)C#N ZINC000335730335 136348479 /nfs/dbraw/zinc/34/84/79/136348479.db2.gz KHXYOZCLVRGNNA-GFCCVEGCSA-N 1 0 228.339 3.503 20 30 BHEDRO C[C@H]1c2ccccc2C[N@H+]1CCC(C)(C)C#N ZINC000335730336 136348587 /nfs/dbraw/zinc/34/85/87/136348587.db2.gz KHXYOZCLVRGNNA-LBPRGKRZSA-N 1 0 228.339 3.503 20 30 BHEDRO CC1(C#N)CC[NH+](CCC2=CCCCC2)CC1 ZINC000335911167 345846540 /nfs/dbraw/zinc/84/65/40/345846540.db2.gz BNHMQGPSQNUDDE-UHFFFAOYSA-N 1 0 232.371 3.503 20 30 BHEDRO CCC1(CC)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000335928897 134010117 /nfs/dbraw/zinc/01/01/17/134010117.db2.gz XONROOYUQZEZSL-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC1(CC)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000335928899 134010025 /nfs/dbraw/zinc/01/00/25/134010025.db2.gz XONROOYUQZEZSL-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC1(CC)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335928901 134009883 /nfs/dbraw/zinc/00/98/83/134009883.db2.gz XONROOYUQZEZSL-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC1(CC)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000335928903 134010094 /nfs/dbraw/zinc/01/00/94/134010094.db2.gz XONROOYUQZEZSL-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO Cc1cccc([C@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000335973864 134030301 /nfs/dbraw/zinc/03/03/01/134030301.db2.gz BOIZQJOIOIJPTL-AWEZNQCLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1cccc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000335973865 134030558 /nfs/dbraw/zinc/03/05/58/134030558.db2.gz BOIZQJOIOIJPTL-CQSZACIVSA-N 1 0 242.366 3.682 20 30 BHEDRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000335973911 134030406 /nfs/dbraw/zinc/03/04/06/134030406.db2.gz KRHSKWQPHQEIAP-GFCCVEGCSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000335973912 134030430 /nfs/dbraw/zinc/03/04/30/134030430.db2.gz KRHSKWQPHQEIAP-LBPRGKRZSA-N 1 0 246.329 3.512 20 30 BHEDRO Cc1cccc([C@H](C)[NH+]2CCC(CC#N)CC2)c1 ZINC000335977024 134031658 /nfs/dbraw/zinc/03/16/58/134031658.db2.gz FJENOHYCXCICDP-AWEZNQCLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1cccc([C@@H](C)[NH+]2CCC(CC#N)CC2)c1 ZINC000335977025 134032002 /nfs/dbraw/zinc/03/20/02/134032002.db2.gz FJENOHYCXCICDP-CQSZACIVSA-N 1 0 242.366 3.682 20 30 BHEDRO C[C@H](c1ccccc1F)[NH+]1CCC(CC#N)CC1 ZINC000335977034 134031689 /nfs/dbraw/zinc/03/16/89/134031689.db2.gz GUULQVVACIFSCU-GFCCVEGCSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1ccccc1F)[NH+]1CCC(CC#N)CC1 ZINC000335977035 134031768 /nfs/dbraw/zinc/03/17/68/134031768.db2.gz GUULQVVACIFSCU-LBPRGKRZSA-N 1 0 246.329 3.512 20 30 BHEDRO Cc1ccccc1[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000335978199 134032420 /nfs/dbraw/zinc/03/24/20/134032420.db2.gz CABFRPWZKUBGSB-AWEZNQCLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000335978200 134032084 /nfs/dbraw/zinc/03/20/84/134032084.db2.gz CABFRPWZKUBGSB-CQSZACIVSA-N 1 0 242.366 3.682 20 30 BHEDRO C[C@H](c1cccc(F)c1)[NH+]1CCC(CC#N)CC1 ZINC000335978622 134032132 /nfs/dbraw/zinc/03/21/32/134032132.db2.gz POKAVPMXYFWGGX-GFCCVEGCSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(CC#N)CC1 ZINC000335978623 134032089 /nfs/dbraw/zinc/03/20/89/134032089.db2.gz POKAVPMXYFWGGX-LBPRGKRZSA-N 1 0 246.329 3.512 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@H]2c2ccccc2)CCC1 ZINC000336193929 134124754 /nfs/dbraw/zinc/12/47/54/134124754.db2.gz DPMUZDIXMXXBPJ-HNNXBMFYSA-N 1 0 240.350 3.517 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000336193930 134124921 /nfs/dbraw/zinc/12/49/21/134124921.db2.gz DPMUZDIXMXXBPJ-OAHLLOKOSA-N 1 0 240.350 3.517 20 30 BHEDRO CC1(C)CCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336205315 535308033 /nfs/dbraw/zinc/30/80/33/535308033.db2.gz RXDLVLUDQJGRLE-JVWICGRDSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336205316 535304811 /nfs/dbraw/zinc/30/48/11/535304811.db2.gz RXDLVLUDQJGRLE-OWYJLGKBSA-N 1 0 234.387 3.627 20 30 BHEDRO Cc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000336205424 134131541 /nfs/dbraw/zinc/13/15/41/134131541.db2.gz YJHWDDIFDVGWQA-UHFFFAOYSA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccs1 ZINC000336206165 134132137 /nfs/dbraw/zinc/13/21/37/134132137.db2.gz JISAYNQLQYTQKH-DCBWTQNWSA-N 1 0 248.395 3.871 20 30 BHEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccs1 ZINC000336206166 134132450 /nfs/dbraw/zinc/13/24/50/134132450.db2.gz JISAYNQLQYTQKH-LKSINWNRSA-N 1 0 248.395 3.871 20 30 BHEDRO Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000336206194 134132066 /nfs/dbraw/zinc/13/20/66/134132066.db2.gz LWGMHPXCWJGTOG-UHFFFAOYSA-N 1 0 242.366 3.557 20 30 BHEDRO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336207994 134132753 /nfs/dbraw/zinc/13/27/53/134132753.db2.gz MOKHLHRHWUSWGU-FEWQNLEASA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336207995 134132571 /nfs/dbraw/zinc/13/25/71/134132571.db2.gz MOKHLHRHWUSWGU-FGZQJIAISA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336207996 134132832 /nfs/dbraw/zinc/13/28/32/134132832.db2.gz MOKHLHRHWUSWGU-JLVJUDLZSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336207997 134132533 /nfs/dbraw/zinc/13/25/33/134132533.db2.gz MOKHLHRHWUSWGU-LQULJDIASA-N 1 0 234.387 3.627 20 30 BHEDRO N#CC1CCC(C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000336209949 134133858 /nfs/dbraw/zinc/13/38/58/134133858.db2.gz QHYCQARZPCZXEN-NRXISQOPSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1CCC(C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000336209950 134133663 /nfs/dbraw/zinc/13/36/63/134133663.db2.gz QHYCQARZPCZXEN-YMAMQOFZSA-N 1 0 246.398 3.629 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000336210033 134133937 /nfs/dbraw/zinc/13/39/37/134133937.db2.gz WZMFRBCCLKLZMA-SHARSMKWSA-N 1 0 246.398 3.771 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000336210034 134133669 /nfs/dbraw/zinc/13/36/69/134133669.db2.gz WZMFRBCCLKLZMA-SLTAFYQDSA-N 1 0 246.398 3.771 20 30 BHEDRO CC1(C#N)CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000336211422 535273479 /nfs/dbraw/zinc/27/34/79/535273479.db2.gz UYQVVUUJUOPHNK-UHFFFAOYSA-N 1 0 246.398 3.771 20 30 BHEDRO CC1(C)CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000336213793 134135696 /nfs/dbraw/zinc/13/56/96/134135696.db2.gz HOIJRRJDECZZED-JSGCOSHPSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C#N)CCC([NH2+]C2CCCCCC2)CC1 ZINC000336214112 535272626 /nfs/dbraw/zinc/27/26/26/535272626.db2.gz KTTHSAKZJDEMIU-UHFFFAOYSA-N 1 0 234.387 3.771 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336214308 134135478 /nfs/dbraw/zinc/13/54/78/134135478.db2.gz GUALFCDTJIIXDS-FEWQNLEASA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336214309 134135408 /nfs/dbraw/zinc/13/54/08/134135408.db2.gz GUALFCDTJIIXDS-FGZQJIAISA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336214310 134135832 /nfs/dbraw/zinc/13/58/32/134135832.db2.gz GUALFCDTJIIXDS-JLVJUDLZSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336214311 134135816 /nfs/dbraw/zinc/13/58/16/134135816.db2.gz GUALFCDTJIIXDS-LQULJDIASA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336214445 134136036 /nfs/dbraw/zinc/13/60/36/134136036.db2.gz SPVKYOMLOWPGLU-FEWQNLEASA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336214446 134136033 /nfs/dbraw/zinc/13/60/33/134136033.db2.gz SPVKYOMLOWPGLU-FGZQJIAISA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336214447 134136122 /nfs/dbraw/zinc/13/61/22/134136122.db2.gz SPVKYOMLOWPGLU-JLVJUDLZSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336214448 134136398 /nfs/dbraw/zinc/13/63/98/134136398.db2.gz SPVKYOMLOWPGLU-LQULJDIASA-N 1 0 234.387 3.627 20 30 BHEDRO Cc1cscc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336215821 135069478 /nfs/dbraw/zinc/06/94/78/135069478.db2.gz MZOCLKQHNSPEFV-UHFFFAOYSA-N 1 0 248.395 3.619 20 30 BHEDRO Cc1ccsc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336221132 134139560 /nfs/dbraw/zinc/13/95/60/134139560.db2.gz GXGICMLAKNNXQI-UHFFFAOYSA-N 1 0 248.395 3.619 20 30 BHEDRO Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)s1 ZINC000336221163 134139489 /nfs/dbraw/zinc/13/94/89/134139489.db2.gz KOJYYNAZIVEXFX-UHFFFAOYSA-N 1 0 248.395 3.619 20 30 BHEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000336226234 134140082 /nfs/dbraw/zinc/14/00/82/134140082.db2.gz OYIBTVVRYUXDNL-IUDNXUCKSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000336226236 134139960 /nfs/dbraw/zinc/13/99/60/134139960.db2.gz OYIBTVVRYUXDNL-JEYLPNPQSA-N 1 0 242.366 3.810 20 30 BHEDRO Cc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336227315 134963309 /nfs/dbraw/zinc/96/33/09/134963309.db2.gz LXQYHQMKPBNBSK-UHFFFAOYSA-N 1 0 242.366 3.557 20 30 BHEDRO CC1(C#N)CCC([NH2+]CC2CCCCC2)CC1 ZINC000336228333 535272497 /nfs/dbraw/zinc/27/24/97/535272497.db2.gz CJWOEIZVFDVUCU-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CC1CCC(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000336577558 134150415 /nfs/dbraw/zinc/15/04/15/134150415.db2.gz KSATVHHYXLJDDN-UHFFFAOYSA-N 1 0 246.398 3.629 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000336644920 386601938 /nfs/dbraw/zinc/60/19/38/386601938.db2.gz AVNOJTKYBBVXFM-SECBINFHSA-N 1 0 227.398 3.524 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000336644921 386603004 /nfs/dbraw/zinc/60/30/04/386603004.db2.gz AVNOJTKYBBVXFM-VIFPVBQESA-N 1 0 227.398 3.524 20 30 BHEDRO C=CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000336653031 385653765 /nfs/dbraw/zinc/65/37/65/385653765.db2.gz FXYJJGLKEJWZJX-HNNXBMFYSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000336653043 166408402 /nfs/dbraw/zinc/40/84/02/166408402.db2.gz FXYJJGLKEJWZJX-OAHLLOKOSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CCC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000336656586 206018799 /nfs/dbraw/zinc/01/87/99/206018799.db2.gz LNQGKNCWFAENKA-UHFFFAOYSA-N 1 0 222.376 3.508 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000336657015 385815778 /nfs/dbraw/zinc/81/57/78/385815778.db2.gz QRQBGPOOOKIBFD-LURJTMIESA-N 1 0 236.167 3.719 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000336657025 534507008 /nfs/dbraw/zinc/50/70/08/534507008.db2.gz QRQBGPOOOKIBFD-ZCFIWIBFSA-N 1 0 236.167 3.719 20 30 BHEDRO C=CCCC[NH2+]Cc1cscc1C(F)(F)F ZINC000336658597 166241227 /nfs/dbraw/zinc/24/12/27/166241227.db2.gz ABJNMEPYDAYFAO-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCc2occc21 ZINC000336660116 388091821 /nfs/dbraw/zinc/09/18/21/388091821.db2.gz RDKHFVMWNGWYDI-CYBMUJFWSA-N 1 0 233.355 3.849 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCc2occc21 ZINC000336660123 259484347 /nfs/dbraw/zinc/48/43/47/259484347.db2.gz RDKHFVMWNGWYDI-ZDUSSCGKSA-N 1 0 233.355 3.849 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCCF)c1ccco1 ZINC000336662250 534797335 /nfs/dbraw/zinc/79/73/35/534797335.db2.gz DDKHXOHNBJNISY-GFCCVEGCSA-N 1 0 225.307 3.626 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCCF)c1ccco1 ZINC000336662266 388260113 /nfs/dbraw/zinc/26/01/13/388260113.db2.gz DDKHXOHNBJNISY-LBPRGKRZSA-N 1 0 225.307 3.626 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccsc1C ZINC000336665635 534552378 /nfs/dbraw/zinc/55/23/78/534552378.db2.gz YUCXJZOCSOQREJ-UHFFFAOYSA-N 1 0 223.385 3.748 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](C)Sc2sccc21 ZINC000336665746 350426846 /nfs/dbraw/zinc/42/68/46/350426846.db2.gz MEMDXQGCIQAXPL-IQJOONFLSA-N 1 0 239.409 3.838 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H](C)Sc2sccc21 ZINC000336665748 350426987 /nfs/dbraw/zinc/42/69/87/350426987.db2.gz MEMDXQGCIQAXPL-NGZCFLSTSA-N 1 0 239.409 3.838 20 30 BHEDRO CC(C)[N@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000336666880 350428073 /nfs/dbraw/zinc/42/80/73/350428073.db2.gz LOWMPAOPNRXTJM-UHFFFAOYSA-N 1 0 222.376 3.579 20 30 BHEDRO CC[N@H+](CCCCC(C)(C)C#N)C1CCC1 ZINC000336666939 350427981 /nfs/dbraw/zinc/42/79/81/350427981.db2.gz MAGGNJGWRQPELU-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCCCC(C)(C)C#N ZINC000336671609 350430387 /nfs/dbraw/zinc/43/03/87/350430387.db2.gz ZQKFWOXWAADXHO-BETUJISGSA-N 1 0 222.376 3.579 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCCCC(C)(C)C#N ZINC000336671611 350429919 /nfs/dbraw/zinc/42/99/19/350429919.db2.gz ZQKFWOXWAADXHO-CHWSQXEVSA-N 1 0 222.376 3.579 20 30 BHEDRO C[C@H]1CC[C@H](C)[NH+]1CCCCC(C)(C)C#N ZINC000336671612 350430069 /nfs/dbraw/zinc/43/00/69/350430069.db2.gz ZQKFWOXWAADXHO-STQMWFEESA-N 1 0 222.376 3.579 20 30 BHEDRO CC(C)[N@H+](CCCC(C)(C)C#N)C1CCC1 ZINC000336672502 350431294 /nfs/dbraw/zinc/43/12/94/350431294.db2.gz KIVDRTGNLFTVNL-UHFFFAOYSA-N 1 0 222.376 3.579 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000336675936 385599331 /nfs/dbraw/zinc/59/93/31/385599331.db2.gz ANAGBYHPPWPFPU-LLVKDONJSA-N 1 0 207.317 3.513 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000336675946 385599826 /nfs/dbraw/zinc/59/98/26/385599826.db2.gz ANAGBYHPPWPFPU-NSHDSACASA-N 1 0 207.317 3.513 20 30 BHEDRO N#CCCCC[NH2+]CCCC1CCCCC1 ZINC000336686836 350955836 /nfs/dbraw/zinc/95/58/36/350955836.db2.gz UEGNJXWRJLYWEP-UHFFFAOYSA-N 1 0 222.376 3.630 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccsc1C ZINC000336693141 350998834 /nfs/dbraw/zinc/99/88/34/350998834.db2.gz QXJQGRKDINIARD-UHFFFAOYSA-N 1 0 209.358 3.502 20 30 BHEDRO C[C@@H]1c2ccccc2C[N@H+]1CCCC(C)(C)C#N ZINC000336696322 350451785 /nfs/dbraw/zinc/45/17/85/350451785.db2.gz CPJSUNYYDXMYEY-CYBMUJFWSA-N 1 0 242.366 3.893 20 30 BHEDRO C[C@H]1c2ccccc2C[N@H+]1CCCC(C)(C)C#N ZINC000336696341 350451511 /nfs/dbraw/zinc/45/15/11/350451511.db2.gz CPJSUNYYDXMYEY-ZDUSSCGKSA-N 1 0 242.366 3.893 20 30 BHEDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCCCC#N ZINC000336696824 136274232 /nfs/dbraw/zinc/27/42/32/136274232.db2.gz ZARCBPGLRXENIB-KBPBESRZSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCCCC#N ZINC000336696854 365358963 /nfs/dbraw/zinc/35/89/63/365358963.db2.gz ZARCBPGLRXENIB-KGLIPLIRSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCCCC#N ZINC000336697360 136274319 /nfs/dbraw/zinc/27/43/19/136274319.db2.gz ZARCBPGLRXENIB-UONOGXRCSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCCCC#N ZINC000336697361 535267736 /nfs/dbraw/zinc/26/77/36/535267736.db2.gz ZARCBPGLRXENIB-ZIAGYGMSSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@@H]([N@H+](C)CCCCC(C)(C)C#N)C1(C)CC1 ZINC000336706600 351077130 /nfs/dbraw/zinc/07/71/30/351077130.db2.gz JKDQZSQFUIVCIF-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]([N@H+](C)CCCCC(C)(C)C#N)C1(C)CC1 ZINC000336706613 351078039 /nfs/dbraw/zinc/07/80/39/351078039.db2.gz JKDQZSQFUIVCIF-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccccc1OC ZINC000336708294 358494841 /nfs/dbraw/zinc/49/48/41/358494841.db2.gz NUPFBGPDOOWJLO-AWEZNQCLSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccccc1OC ZINC000336708298 358495170 /nfs/dbraw/zinc/49/51/70/358495170.db2.gz NUPFBGPDOOWJLO-CQSZACIVSA-N 1 0 233.355 3.702 20 30 BHEDRO C[C@H](CCC1CCCCC1)[NH2+]CCCC#N ZINC000336726831 134604761 /nfs/dbraw/zinc/60/47/61/134604761.db2.gz BSERYSYUMUYMFV-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO C[C@@H](CCC1CCCCC1)[NH2+]CCCC#N ZINC000336726832 397987116 /nfs/dbraw/zinc/98/71/16/397987116.db2.gz BSERYSYUMUYMFV-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc(C(C)C)s1 ZINC000336728452 351560286 /nfs/dbraw/zinc/56/02/86/351560286.db2.gz HEHUYJZVXDYVMH-LLVKDONJSA-N 1 0 238.400 3.711 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(C(C)C)s1 ZINC000336728480 351560903 /nfs/dbraw/zinc/56/09/03/351560903.db2.gz HEHUYJZVXDYVMH-NSHDSACASA-N 1 0 238.400 3.711 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccccc1SC ZINC000336731227 534512919 /nfs/dbraw/zinc/51/29/19/534512919.db2.gz KPCCDJUJWNCZQH-MNOVXSKESA-N 1 0 221.369 3.634 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccccc1SC ZINC000336731228 534669881 /nfs/dbraw/zinc/66/98/81/534669881.db2.gz KPCCDJUJWNCZQH-QWRGUYRKSA-N 1 0 221.369 3.634 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cscc1C(F)(F)F ZINC000336736723 136218520 /nfs/dbraw/zinc/21/85/20/136218520.db2.gz IZFXLLNLZIFTKV-MRVPVSSYSA-N 1 0 249.301 3.821 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cscc1C(F)(F)F ZINC000336736729 534352428 /nfs/dbraw/zinc/35/24/28/534352428.db2.gz IZFXLLNLZIFTKV-QMMMGPOBSA-N 1 0 249.301 3.821 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000336737819 351979165 /nfs/dbraw/zinc/97/91/65/351979165.db2.gz JSPLLQLBUMUNNX-NXEZZACHSA-N 1 0 235.293 3.519 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000336737820 351979199 /nfs/dbraw/zinc/97/91/99/351979199.db2.gz JSPLLQLBUMUNNX-UWVGGRQHSA-N 1 0 235.293 3.519 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000336737821 351978748 /nfs/dbraw/zinc/97/87/48/351978748.db2.gz JSPLLQLBUMUNNX-VHSXEESVSA-N 1 0 235.293 3.519 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000336737822 351978773 /nfs/dbraw/zinc/97/87/73/351978773.db2.gz JSPLLQLBUMUNNX-ZJUUUORDSA-N 1 0 235.293 3.519 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1csc(C)n1 ZINC000336738099 134919811 /nfs/dbraw/zinc/91/98/11/134919811.db2.gz JZHBIBJCWCWUCO-LLVKDONJSA-N 1 0 238.400 3.849 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000336738100 351981655 /nfs/dbraw/zinc/98/16/55/351981655.db2.gz JZHBIBJCWCWUCO-NSHDSACASA-N 1 0 238.400 3.849 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000336739236 534754207 /nfs/dbraw/zinc/75/42/07/534754207.db2.gz LBSCGFMHHGSMSM-GHMZBOCLSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000336739237 534753764 /nfs/dbraw/zinc/75/37/64/534753764.db2.gz LBSCGFMHHGSMSM-MNOVXSKESA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000336739238 534761185 /nfs/dbraw/zinc/76/11/85/534761185.db2.gz LBSCGFMHHGSMSM-QWRGUYRKSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000336739239 534761408 /nfs/dbraw/zinc/76/14/08/534761408.db2.gz LBSCGFMHHGSMSM-WDEREUQCSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000336740956 166245706 /nfs/dbraw/zinc/24/57/06/166245706.db2.gz MTGGTDXUHVPRIS-CMPLNLGQSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000336740957 166245291 /nfs/dbraw/zinc/24/52/91/166245291.db2.gz MTGGTDXUHVPRIS-JQWIXIFHSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000336740958 352376431 /nfs/dbraw/zinc/37/64/31/352376431.db2.gz MTGGTDXUHVPRIS-PWSUYJOCSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000336740959 352376813 /nfs/dbraw/zinc/37/68/13/352376813.db2.gz MTGGTDXUHVPRIS-ZYHUDNBSSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C)CC1)c1ccco1 ZINC000336746611 352740686 /nfs/dbraw/zinc/74/06/86/352740686.db2.gz RNWZXPIWCCPJAG-LBPRGKRZSA-N 1 0 219.328 3.677 20 30 BHEDRO CCC1(C)CCC([NH2+]CCCCC#N)CC1 ZINC000336746738 385964727 /nfs/dbraw/zinc/96/47/27/385964727.db2.gz WUKDEWNZCPQTAQ-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccco1 ZINC000336747432 352750141 /nfs/dbraw/zinc/75/01/41/352750141.db2.gz SCPUVHJBVJRYKO-AGIUHOORSA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccco1 ZINC000336747433 352749923 /nfs/dbraw/zinc/74/99/23/352749923.db2.gz SCPUVHJBVJRYKO-AVGNSLFASA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccco1 ZINC000336747434 352750350 /nfs/dbraw/zinc/75/03/50/352750350.db2.gz SCPUVHJBVJRYKO-UPJWGTAASA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccco1 ZINC000336747435 352750088 /nfs/dbraw/zinc/75/00/88/352750088.db2.gz SCPUVHJBVJRYKO-XQQFMLRXSA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](CC)c1nccs1 ZINC000336749367 534753734 /nfs/dbraw/zinc/75/37/34/534753734.db2.gz YUNCGQIKHFDOSS-NEPJUHHUSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)c1nccs1 ZINC000336749370 534761640 /nfs/dbraw/zinc/76/16/40/534761640.db2.gz YUNCGQIKHFDOSS-NWDGAFQWSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)c1nccs1 ZINC000336749371 534761070 /nfs/dbraw/zinc/76/10/70/534761070.db2.gz YUNCGQIKHFDOSS-RYUDHWBXSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](CC)c1nccs1 ZINC000336749373 534754428 /nfs/dbraw/zinc/75/44/28/534754428.db2.gz YUNCGQIKHFDOSS-VXGBXAGGSA-N 1 0 238.400 3.929 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[NH2+]CCCC#N ZINC000336754377 535365515 /nfs/dbraw/zinc/36/55/15/535365515.db2.gz XADZKBDDXUWBIU-AWEZNQCLSA-N 1 0 222.376 3.652 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[NH2+]CCCC#N ZINC000336754654 347227178 /nfs/dbraw/zinc/22/71/78/347227178.db2.gz XADZKBDDXUWBIU-CQSZACIVSA-N 1 0 222.376 3.652 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(C)C)c1ccco1 ZINC000336754877 353146047 /nfs/dbraw/zinc/14/60/47/353146047.db2.gz IPSXGGOLACREMS-GFCCVEGCSA-N 1 0 207.317 3.533 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(C)C)c1ccco1 ZINC000336754880 134934374 /nfs/dbraw/zinc/93/43/74/134934374.db2.gz IPSXGGOLACREMS-LBPRGKRZSA-N 1 0 207.317 3.533 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000336764062 353253282 /nfs/dbraw/zinc/25/32/82/353253282.db2.gz PVAHTUSGOPDFCH-JTQLQIEISA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000336764065 353253407 /nfs/dbraw/zinc/25/34/07/353253407.db2.gz PVAHTUSGOPDFCH-SNVBAGLBSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC1(C)CC1)C1CC1 ZINC000336768097 353277652 /nfs/dbraw/zinc/27/76/52/353277652.db2.gz UJYJGBZZUZAVQP-CYBMUJFWSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC1(C)CC1)C1CC1 ZINC000336768098 353277691 /nfs/dbraw/zinc/27/76/91/353277691.db2.gz UJYJGBZZUZAVQP-ZDUSSCGKSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000336777622 347522186 /nfs/dbraw/zinc/52/21/86/347522186.db2.gz IZJUAHOMQSCHBB-UHFFFAOYSA-N 1 0 238.400 3.551 20 30 BHEDRO C=CCC[C@H]([NH2+]C1CC(C)C1)c1ccco1 ZINC000336778666 353517368 /nfs/dbraw/zinc/51/73/68/353517368.db2.gz LYYYUOFJFQDKLN-BPCQOVAHSA-N 1 0 219.328 3.675 20 30 BHEDRO C=CCC[C@@H]([NH2+]C1CC(C)C1)c1ccco1 ZINC000336778667 353518601 /nfs/dbraw/zinc/51/86/01/353518601.db2.gz LYYYUOFJFQDKLN-WXRRBKDZSA-N 1 0 219.328 3.675 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000336779631 386512734 /nfs/dbraw/zinc/51/27/34/386512734.db2.gz OYVICBAUKYRFDW-LLVKDONJSA-N 1 0 238.400 3.883 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000336779632 386510774 /nfs/dbraw/zinc/51/07/74/386510774.db2.gz OYVICBAUKYRFDW-NSHDSACASA-N 1 0 238.400 3.883 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(CCC)cs1 ZINC000336780860 353608167 /nfs/dbraw/zinc/60/81/67/353608167.db2.gz SIMGBLGQKCSBCO-LLVKDONJSA-N 1 0 238.400 3.540 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1nc(CCC)cs1 ZINC000336780861 353607752 /nfs/dbraw/zinc/60/77/52/353607752.db2.gz SIMGBLGQKCSBCO-NSHDSACASA-N 1 0 238.400 3.540 20 30 BHEDRO C=C(CC)C[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000336781012 353619116 /nfs/dbraw/zinc/61/91/16/353619116.db2.gz SYYZDPMYFHGNJK-CYBMUJFWSA-N 1 0 238.400 3.633 20 30 BHEDRO C=C(CC)C[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000336781013 353619402 /nfs/dbraw/zinc/61/94/02/353619402.db2.gz SYYZDPMYFHGNJK-ZDUSSCGKSA-N 1 0 238.400 3.633 20 30 BHEDRO CC(C)[N@H+](CCC1CC1)Cc1ccc(C#N)cc1 ZINC000336783533 188183831 /nfs/dbraw/zinc/18/38/31/188183831.db2.gz AMLLVMNXXKOJKC-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000336785422 355850182 /nfs/dbraw/zinc/85/01/82/355850182.db2.gz DJJYVDNECGDINZ-INIZCTEOSA-N 1 0 247.382 3.628 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000336785423 386467671 /nfs/dbraw/zinc/46/76/71/386467671.db2.gz DJJYVDNECGDINZ-MRXNPFEDSA-N 1 0 247.382 3.628 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000336785709 534733890 /nfs/dbraw/zinc/73/38/90/534733890.db2.gz FQIVORACMGVRCG-UHFFFAOYSA-N 1 0 240.350 3.599 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000336790240 166243233 /nfs/dbraw/zinc/24/32/33/166243233.db2.gz WFDMHZAJLUYRSV-INIZCTEOSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000336790241 166243499 /nfs/dbraw/zinc/24/34/99/166243499.db2.gz WFDMHZAJLUYRSV-MRXNPFEDSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc2ncccc2c1 ZINC000336793643 388470699 /nfs/dbraw/zinc/47/06/99/388470699.db2.gz XSVVCSMHSJUYKJ-UHFFFAOYSA-N 1 0 240.350 3.681 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cnc2ccccc2c1 ZINC000337126080 135000070 /nfs/dbraw/zinc/00/00/70/135000070.db2.gz FNBUVVGJBGPGGI-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337317876 135011869 /nfs/dbraw/zinc/01/18/69/135011869.db2.gz XZDOKGBMQVMSMP-GDBMZVCRSA-N 1 0 244.382 3.664 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337317877 135011604 /nfs/dbraw/zinc/01/16/04/135011604.db2.gz XZDOKGBMQVMSMP-GOEBONIOSA-N 1 0 244.382 3.664 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337317878 534736695 /nfs/dbraw/zinc/73/66/95/534736695.db2.gz XZDOKGBMQVMSMP-HOCLYGCPSA-N 1 0 244.382 3.664 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337317879 534735805 /nfs/dbraw/zinc/73/58/05/534735805.db2.gz XZDOKGBMQVMSMP-ZBFHGGJFSA-N 1 0 244.382 3.664 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337332326 135011689 /nfs/dbraw/zinc/01/16/89/135011689.db2.gz ICFAPYNHAJQXGZ-DZKIICNBSA-N 1 0 244.382 3.662 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337332327 135011901 /nfs/dbraw/zinc/01/19/01/135011901.db2.gz ICFAPYNHAJQXGZ-LZWOXQAQSA-N 1 0 244.382 3.662 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337332328 135011607 /nfs/dbraw/zinc/01/16/07/135011607.db2.gz ICFAPYNHAJQXGZ-OFQRWUPVSA-N 1 0 244.382 3.662 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337332329 135011822 /nfs/dbraw/zinc/01/18/22/135011822.db2.gz ICFAPYNHAJQXGZ-SQWLQELKSA-N 1 0 244.382 3.662 20 30 BHEDRO CC[C@@H]1C[C@]1([NH2+]CCCC#N)c1cccc(C)c1 ZINC000337419340 535924139 /nfs/dbraw/zinc/92/41/39/535924139.db2.gz QJXZUTHPETZCTD-GDBMZVCRSA-N 1 0 242.366 3.514 20 30 BHEDRO CC[C@H]1C[C@]1([NH2+]CCCC#N)c1cccc(C)c1 ZINC000337419341 135015767 /nfs/dbraw/zinc/01/57/67/135015767.db2.gz QJXZUTHPETZCTD-GOEBONIOSA-N 1 0 242.366 3.514 20 30 BHEDRO CC[C@H]1C[C@@]1([NH2+]CCCC#N)c1cccc(C)c1 ZINC000337419342 536172908 /nfs/dbraw/zinc/17/29/08/536172908.db2.gz QJXZUTHPETZCTD-HOCLYGCPSA-N 1 0 242.366 3.514 20 30 BHEDRO CC[C@@H]1C[C@@]1([NH2+]CCCC#N)c1cccc(C)c1 ZINC000337419343 135015599 /nfs/dbraw/zinc/01/55/99/135015599.db2.gz QJXZUTHPETZCTD-ZBFHGGJFSA-N 1 0 242.366 3.514 20 30 BHEDRO C=C(C[NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000337447895 135017283 /nfs/dbraw/zinc/01/72/83/135017283.db2.gz HARPWZMWXADTTR-HNNXBMFYSA-N 1 0 227.351 3.622 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000337447898 135016770 /nfs/dbraw/zinc/01/67/70/135016770.db2.gz HARPWZMWXADTTR-OAHLLOKOSA-N 1 0 227.351 3.622 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337476968 135017803 /nfs/dbraw/zinc/01/78/03/135017803.db2.gz PHSARUKHXSJAFW-CHWSQXEVSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337476969 135017776 /nfs/dbraw/zinc/01/77/76/135017776.db2.gz PHSARUKHXSJAFW-OLZOCXBDSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337476971 135017756 /nfs/dbraw/zinc/01/77/56/135017756.db2.gz PHSARUKHXSJAFW-QWHCGFSZSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337476974 135017830 /nfs/dbraw/zinc/01/78/30/135017830.db2.gz PHSARUKHXSJAFW-STQMWFEESA-N 1 0 247.386 3.613 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337491357 166244024 /nfs/dbraw/zinc/24/40/24/166244024.db2.gz WITOOKNKISJYBR-CYBMUJFWSA-N 1 0 247.386 3.615 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337491358 166241255 /nfs/dbraw/zinc/24/12/55/166241255.db2.gz WITOOKNKISJYBR-ZDUSSCGKSA-N 1 0 247.386 3.615 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000337566108 171548523 /nfs/dbraw/zinc/54/85/23/171548523.db2.gz YHJKOPJZLWRHKQ-KCXAZCMYSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000337566109 384525102 /nfs/dbraw/zinc/52/51/02/384525102.db2.gz YHJKOPJZLWRHKQ-RCBQFDQVSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000337566110 171541091 /nfs/dbraw/zinc/54/10/91/171541091.db2.gz YHJKOPJZLWRHKQ-UHOFOFEASA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000337566111 385710262 /nfs/dbraw/zinc/71/02/62/385710262.db2.gz YHJKOPJZLWRHKQ-VBNZEHGJSA-N 1 0 242.366 3.788 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000337656860 135021375 /nfs/dbraw/zinc/02/13/75/135021375.db2.gz GIFPCMFLAVEFEP-NOZJJQNGSA-N 1 0 237.293 3.506 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000337656862 135021156 /nfs/dbraw/zinc/02/11/56/135021156.db2.gz GIFPCMFLAVEFEP-RNCFNFMXSA-N 1 0 237.293 3.506 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000337656864 135021159 /nfs/dbraw/zinc/02/11/59/135021159.db2.gz GIFPCMFLAVEFEP-TVQRCGJNSA-N 1 0 237.293 3.506 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000337656866 135021198 /nfs/dbraw/zinc/02/11/98/135021198.db2.gz GIFPCMFLAVEFEP-ZANVPECISA-N 1 0 237.293 3.506 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccncc1F ZINC000338025488 135028298 /nfs/dbraw/zinc/02/82/98/135028298.db2.gz XJJRONUBXFKBJZ-NEPJUHHUSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccncc1F ZINC000338025491 135028381 /nfs/dbraw/zinc/02/83/81/135028381.db2.gz XJJRONUBXFKBJZ-NWDGAFQWSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccncc1F ZINC000338025495 135028224 /nfs/dbraw/zinc/02/82/24/135028224.db2.gz XJJRONUBXFKBJZ-RYUDHWBXSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccncc1F ZINC000338025498 135028495 /nfs/dbraw/zinc/02/84/95/135028495.db2.gz XJJRONUBXFKBJZ-VXGBXAGGSA-N 1 0 236.334 3.616 20 30 BHEDRO CC/C=C\CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000338348278 385235498 /nfs/dbraw/zinc/23/54/98/385235498.db2.gz NLWJCHZRQMEPNV-DSYXLKISSA-N 1 0 228.339 3.565 20 30 BHEDRO CC/C=C\CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000338348279 385235081 /nfs/dbraw/zinc/23/50/81/385235081.db2.gz NLWJCHZRQMEPNV-ZFDPJTLLSA-N 1 0 228.339 3.565 20 30 BHEDRO C[C@H](C1CCCCC1)[N@H+](C)CCCCC#N ZINC000338364203 135036187 /nfs/dbraw/zinc/03/61/87/135036187.db2.gz BVGZZVAGLWNCNS-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@@H](C1CCCCC1)[N@H+](C)CCCCC#N ZINC000338364204 135036410 /nfs/dbraw/zinc/03/64/10/135036410.db2.gz BVGZZVAGLWNCNS-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000338372027 534754569 /nfs/dbraw/zinc/75/45/69/534754569.db2.gz PFDKZRBBTHQNOJ-NEPJUHHUSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000338372028 534761113 /nfs/dbraw/zinc/76/11/13/534761113.db2.gz PFDKZRBBTHQNOJ-NWDGAFQWSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000338372029 534761686 /nfs/dbraw/zinc/76/16/86/534761686.db2.gz PFDKZRBBTHQNOJ-RYUDHWBXSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000338372030 534753617 /nfs/dbraw/zinc/75/36/17/534753617.db2.gz PFDKZRBBTHQNOJ-VXGBXAGGSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000338543579 350693466 /nfs/dbraw/zinc/69/34/66/350693466.db2.gz ABBBKOWMDHFUMW-UHFFFAOYSA-N 1 0 207.361 3.606 20 30 BHEDRO C=CCC[N@H+](Cc1ccccc1F)C(C)C ZINC000338544393 534774417 /nfs/dbraw/zinc/77/44/17/534774417.db2.gz NVIZETMEXNULMD-UHFFFAOYSA-N 1 0 221.319 3.612 20 30 BHEDRO C=CCC[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000338544612 135038711 /nfs/dbraw/zinc/03/87/11/135038711.db2.gz RGAUYMRBUYEDHN-INIZCTEOSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCC[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000338544613 135039089 /nfs/dbraw/zinc/03/90/89/135039089.db2.gz RGAUYMRBUYEDHN-MRXNPFEDSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000338545037 135039505 /nfs/dbraw/zinc/03/95/05/135039505.db2.gz GIBKTDRUZROIQV-INIZCTEOSA-N 1 0 227.351 3.714 20 30 BHEDRO C=CCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000338545038 135039462 /nfs/dbraw/zinc/03/94/62/135039462.db2.gz GIBKTDRUZROIQV-MRXNPFEDSA-N 1 0 227.351 3.714 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000338545874 534769968 /nfs/dbraw/zinc/76/99/68/534769968.db2.gz CQIZHMOWRRVZGL-JTQLQIEISA-N 1 0 225.282 3.534 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000338545875 534769666 /nfs/dbraw/zinc/76/96/66/534769666.db2.gz CQIZHMOWRRVZGL-SNVBAGLBSA-N 1 0 225.282 3.534 20 30 BHEDRO C=CCC[N@H+](Cc1cccc(F)c1)C(C)C ZINC000338545902 534774153 /nfs/dbraw/zinc/77/41/53/534774153.db2.gz DAHKYNBQDRODDA-UHFFFAOYSA-N 1 0 221.319 3.612 20 30 BHEDRO C=CCC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000338546168 534773896 /nfs/dbraw/zinc/77/38/96/534773896.db2.gz KPIZIZAXGPOXBH-UHFFFAOYSA-N 1 0 215.340 3.536 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000338547116 135039053 /nfs/dbraw/zinc/03/90/53/135039053.db2.gz RAZLVTCMBMMEPR-AWEZNQCLSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000338547121 135039387 /nfs/dbraw/zinc/03/93/87/135039387.db2.gz RAZLVTCMBMMEPR-CQSZACIVSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCC[N@H+](Cc1cccs1)C(C)C ZINC000338547449 534773650 /nfs/dbraw/zinc/77/36/50/534773650.db2.gz OITFIXRVTNHUNM-UHFFFAOYSA-N 1 0 209.358 3.535 20 30 BHEDRO C=CCC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000338548170 534774103 /nfs/dbraw/zinc/77/41/03/534774103.db2.gz ZNXYIJRYNZSULI-UHFFFAOYSA-N 1 0 221.319 3.612 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000338548571 534771272 /nfs/dbraw/zinc/77/12/72/534771272.db2.gz JVEKIIXQRPEKOW-JTQLQIEISA-N 1 0 225.282 3.534 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000338548572 534770048 /nfs/dbraw/zinc/77/00/48/534770048.db2.gz JVEKIIXQRPEKOW-SNVBAGLBSA-N 1 0 225.282 3.534 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000338549326 135038997 /nfs/dbraw/zinc/03/89/97/135038997.db2.gz QSKINDFXKOOBTK-GXTWGEPZSA-N 1 0 233.355 3.937 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000338549327 135039080 /nfs/dbraw/zinc/03/90/80/135039080.db2.gz QSKINDFXKOOBTK-JSGCOSHPSA-N 1 0 233.355 3.937 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000338549328 135039556 /nfs/dbraw/zinc/03/95/56/135039556.db2.gz QSKINDFXKOOBTK-OCCSQVGLSA-N 1 0 233.355 3.937 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000338549329 135039027 /nfs/dbraw/zinc/03/90/27/135039027.db2.gz QSKINDFXKOOBTK-TZMCWYRMSA-N 1 0 233.355 3.937 20 30 BHEDRO C=CCC[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000338561929 166261421 /nfs/dbraw/zinc/26/14/21/166261421.db2.gz CVEHGURFPBEIAO-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CCC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000338565574 166262012 /nfs/dbraw/zinc/26/20/12/166262012.db2.gz YTQCVNAJJLUIBI-UHFFFAOYSA-N 1 0 249.304 3.630 20 30 BHEDRO C=CCC[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000338566182 135040634 /nfs/dbraw/zinc/04/06/34/135040634.db2.gz GDLHYUDRSQKWTE-HNNXBMFYSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCC[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000338566183 135041088 /nfs/dbraw/zinc/04/10/88/135041088.db2.gz GDLHYUDRSQKWTE-OAHLLOKOSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCN(Cc1sccc1Cl)C1CC1 ZINC000338566319 135040524 /nfs/dbraw/zinc/04/05/24/135040524.db2.gz DYHSTQDSOBGBLQ-UHFFFAOYSA-N 1 0 227.760 3.552 20 30 BHEDRO C=CCC[NH+]1CCC(c2ccsc2)CC1 ZINC000338568903 135040616 /nfs/dbraw/zinc/04/06/16/135040616.db2.gz AVBPXNWMZRQXSZ-UHFFFAOYSA-N 1 0 221.369 3.504 20 30 BHEDRO C=CCC[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000338568959 135040435 /nfs/dbraw/zinc/04/04/35/135040435.db2.gz OUHCSOLIXJWREM-GFCCVEGCSA-N 1 0 223.385 3.577 20 30 BHEDRO C=CCC[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000338568960 135040629 /nfs/dbraw/zinc/04/06/29/135040629.db2.gz OUHCSOLIXJWREM-LBPRGKRZSA-N 1 0 223.385 3.577 20 30 BHEDRO C=CCC[NH2+][C@@H](CCC)c1ccc(F)cc1F ZINC000338569759 135041151 /nfs/dbraw/zinc/04/11/51/135041151.db2.gz WEQMRNWBVDBMHB-AWEZNQCLSA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCC[NH2+][C@H](CCC)c1ccc(F)cc1F ZINC000338569761 135040940 /nfs/dbraw/zinc/04/09/40/135040940.db2.gz WEQMRNWBVDBMHB-CQSZACIVSA-N 1 0 239.309 3.972 20 30 BHEDRO Cc1ccc(C)c([C@H](C)[NH2+]CCCCC#N)c1 ZINC000338731515 135044988 /nfs/dbraw/zinc/04/49/88/135044988.db2.gz BAWMVRFUOZTEBD-AWEZNQCLSA-N 1 0 230.355 3.648 20 30 BHEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCCCC#N)c1 ZINC000338731516 135044754 /nfs/dbraw/zinc/04/47/54/135044754.db2.gz BAWMVRFUOZTEBD-CQSZACIVSA-N 1 0 230.355 3.648 20 30 BHEDRO CC(C)C[N@H+](CCCCC#N)Cc1ccccc1 ZINC000338732302 135045016 /nfs/dbraw/zinc/04/50/16/135045016.db2.gz HSGKXSRZDIXOCE-UHFFFAOYSA-N 1 0 244.382 3.838 20 30 BHEDRO Cc1ccccc1C[N@H+](CCCCC#N)C1CC1 ZINC000338736777 135044552 /nfs/dbraw/zinc/04/45/52/135044552.db2.gz UAISESUDWMELSS-UHFFFAOYSA-N 1 0 242.366 3.653 20 30 BHEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCCC#N)c1 ZINC000338736978 135044701 /nfs/dbraw/zinc/04/47/01/135044701.db2.gz WLZHIEXETNCVSW-HNNXBMFYSA-N 1 0 244.382 3.990 20 30 BHEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCCC#N)c1 ZINC000338736979 135044570 /nfs/dbraw/zinc/04/45/70/135044570.db2.gz WLZHIEXETNCVSW-OAHLLOKOSA-N 1 0 244.382 3.990 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccc(C(C)C)nc1C ZINC000338906586 534829033 /nfs/dbraw/zinc/82/90/33/534829033.db2.gz WNCJKZPUZOGDKW-UHFFFAOYSA-N 1 0 244.382 3.687 20 30 BHEDRO C=C1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000338983498 135050260 /nfs/dbraw/zinc/05/02/60/135050260.db2.gz YEPLCPFMGAJWLP-UHFFFAOYSA-N 1 0 244.382 3.665 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(C(C)C)nc1C ZINC000339000648 534708057 /nfs/dbraw/zinc/70/80/57/534708057.db2.gz BTZUJNDQBJPFIM-UHFFFAOYSA-N 1 0 246.398 3.911 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(C(C)C)nc1C)C1CC1 ZINC000339062490 135055246 /nfs/dbraw/zinc/05/52/46/135055246.db2.gz FMMKCQWCNKFZOG-UHFFFAOYSA-N 1 0 244.382 3.664 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(C)cc1 ZINC000339064159 535940691 /nfs/dbraw/zinc/94/06/91/535940691.db2.gz RUAUFCHUXIJFII-BMFZPTHFSA-N 1 0 242.366 3.728 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 ZINC000339064161 135056020 /nfs/dbraw/zinc/05/60/20/135056020.db2.gz RUAUFCHUXIJFII-BPUTZDHNSA-N 1 0 242.366 3.728 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 ZINC000339064162 535940169 /nfs/dbraw/zinc/94/01/69/535940169.db2.gz RUAUFCHUXIJFII-IMJJTQAJSA-N 1 0 242.366 3.728 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(C)cc1 ZINC000339064164 135056078 /nfs/dbraw/zinc/05/60/78/135056078.db2.gz RUAUFCHUXIJFII-KBMXLJTQSA-N 1 0 242.366 3.728 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(C)C)nc1C ZINC000339078326 135056747 /nfs/dbraw/zinc/05/67/47/135056747.db2.gz RNVCRJDLPYNWTN-UHFFFAOYSA-N 1 0 232.371 3.521 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000339082241 383895032 /nfs/dbraw/zinc/89/50/32/383895032.db2.gz DXKCNBYUFMGNDW-MDZLAQPJSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000339082243 176214457 /nfs/dbraw/zinc/21/44/57/176214457.db2.gz DXKCNBYUFMGNDW-NQBHXWOUSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000339082244 383894227 /nfs/dbraw/zinc/89/42/27/383894227.db2.gz DXKCNBYUFMGNDW-NTZNESFSSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000339082246 176234037 /nfs/dbraw/zinc/23/40/37/176234037.db2.gz DXKCNBYUFMGNDW-WZRBSPASSA-N 1 0 246.329 3.537 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000339116328 135061815 /nfs/dbraw/zinc/06/18/15/135061815.db2.gz KXEPSTVKOUXRKO-UHFFFAOYSA-N 1 0 246.398 3.775 20 30 BHEDRO C=CC[N@@H+](CCC#N)C[C@H](C)C1CCCCC1 ZINC000339209563 135066909 /nfs/dbraw/zinc/06/69/09/135066909.db2.gz BPQYZFPEZLSVEJ-AWEZNQCLSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[N@@H+](CCC#N)C[C@@H](C)C1CCCCC1 ZINC000339209564 135066502 /nfs/dbraw/zinc/06/65/02/135066502.db2.gz BPQYZFPEZLSVEJ-CQSZACIVSA-N 1 0 234.387 3.604 20 30 BHEDRO C=C(C[NH2+]Cc1ccsc1C)c1ccccc1 ZINC000339210033 135066905 /nfs/dbraw/zinc/06/69/05/135066905.db2.gz JFXJKJUFJKHHEG-UHFFFAOYSA-N 1 0 243.375 3.860 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccsc1C ZINC000339387076 343699457 /nfs/dbraw/zinc/69/94/57/343699457.db2.gz HHRIRZXBRYAIMC-GFCCVEGCSA-N 1 0 209.358 3.501 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccsc1C ZINC000339387077 343699342 /nfs/dbraw/zinc/69/93/42/343699342.db2.gz HHRIRZXBRYAIMC-LBPRGKRZSA-N 1 0 209.358 3.501 20 30 BHEDRO CC(C)(C)C1CC([NH2+]CC(C)(C)CCC#N)C1 ZINC000339471332 534550992 /nfs/dbraw/zinc/55/09/92/534550992.db2.gz YBOMBPVWGGOABQ-UHFFFAOYSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCC1(C)C ZINC000339574786 343701615 /nfs/dbraw/zinc/70/16/15/343701615.db2.gz JCPKZHSTBJMRRI-CYBMUJFWSA-N 1 0 236.403 3.732 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC1(C)C ZINC000339574787 535005520 /nfs/dbraw/zinc/00/55/20/535005520.db2.gz JCPKZHSTBJMRRI-ZDUSSCGKSA-N 1 0 236.403 3.732 20 30 BHEDRO CCCC[N@H+](CCC#N)[C@H]1CCC[C@H](C)C1 ZINC000339642873 135076499 /nfs/dbraw/zinc/07/64/99/135076499.db2.gz BZHYIWUDCRGNJQ-KBPBESRZSA-N 1 0 222.376 3.581 20 30 BHEDRO CCCC[N@H+](CCC#N)[C@H]1CCC[C@@H](C)C1 ZINC000339642874 135076407 /nfs/dbraw/zinc/07/64/07/135076407.db2.gz BZHYIWUDCRGNJQ-KGLIPLIRSA-N 1 0 222.376 3.581 20 30 BHEDRO CCCC[N@H+](CCC#N)[C@@H]1CCC[C@H](C)C1 ZINC000339642875 135076826 /nfs/dbraw/zinc/07/68/26/135076826.db2.gz BZHYIWUDCRGNJQ-UONOGXRCSA-N 1 0 222.376 3.581 20 30 BHEDRO CCCC[N@H+](CCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000339642876 135076814 /nfs/dbraw/zinc/07/68/14/135076814.db2.gz BZHYIWUDCRGNJQ-ZIAGYGMSSA-N 1 0 222.376 3.581 20 30 BHEDRO CCCC[N@H+](CCCC#N)[C@H]1CCC[C@@H](C)C1 ZINC000339649847 168806160 /nfs/dbraw/zinc/80/61/60/168806160.db2.gz VFNFAZMSEPLTGM-CABCVRRESA-N 1 0 236.403 3.971 20 30 BHEDRO CCCC[N@H+](CCCC#N)[C@H]1CCC[C@H](C)C1 ZINC000339649851 386506037 /nfs/dbraw/zinc/50/60/37/386506037.db2.gz VFNFAZMSEPLTGM-GJZGRUSLSA-N 1 0 236.403 3.971 20 30 BHEDRO CCCC[N@H+](CCCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000339649860 386507153 /nfs/dbraw/zinc/50/71/53/386507153.db2.gz VFNFAZMSEPLTGM-HUUCEWRRSA-N 1 0 236.403 3.971 20 30 BHEDRO CCCC[N@H+](CCCC#N)[C@@H]1CCC[C@H](C)C1 ZINC000339649861 386505586 /nfs/dbraw/zinc/50/55/86/386505586.db2.gz VFNFAZMSEPLTGM-LSDHHAIUSA-N 1 0 236.403 3.971 20 30 BHEDRO CCCC[N@H+](CCCC#N)C1CCCCC1 ZINC000339795473 135082024 /nfs/dbraw/zinc/08/20/24/135082024.db2.gz JDZIGXSQVBAHJF-UHFFFAOYSA-N 1 0 222.376 3.725 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1cccc(C2CC2)c1 ZINC000340234215 136287637 /nfs/dbraw/zinc/28/76/37/136287637.db2.gz HINNKGZVZJIFTE-CYBMUJFWSA-N 1 0 242.366 3.908 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1cccc(C2CC2)c1 ZINC000340234218 136287608 /nfs/dbraw/zinc/28/76/08/136287608.db2.gz HINNKGZVZJIFTE-ZDUSSCGKSA-N 1 0 242.366 3.908 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340263459 343708120 /nfs/dbraw/zinc/70/81/20/343708120.db2.gz WEPHGHYLWOPUFU-NEPJUHHUSA-N 1 0 215.340 3.789 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340263460 343707930 /nfs/dbraw/zinc/70/79/30/343707930.db2.gz WEPHGHYLWOPUFU-NWDGAFQWSA-N 1 0 215.340 3.789 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340263461 343708178 /nfs/dbraw/zinc/70/81/78/343708178.db2.gz WEPHGHYLWOPUFU-RYUDHWBXSA-N 1 0 215.340 3.789 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340263462 343707981 /nfs/dbraw/zinc/70/79/81/343707981.db2.gz WEPHGHYLWOPUFU-VXGBXAGGSA-N 1 0 215.340 3.789 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC1(OC)CCC1 ZINC000340424891 534552760 /nfs/dbraw/zinc/55/27/60/534552760.db2.gz UFWHISTXVCAPPM-CYBMUJFWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000340424892 534552724 /nfs/dbraw/zinc/55/27/24/534552724.db2.gz UFWHISTXVCAPPM-ZDUSSCGKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC12CCC2 ZINC000340426617 388034218 /nfs/dbraw/zinc/03/42/18/388034218.db2.gz GQKADCJTYCQHNT-GFCCVEGCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC12CCC2 ZINC000340426618 534555591 /nfs/dbraw/zinc/55/55/91/534555591.db2.gz GQKADCJTYCQHNT-LBPRGKRZSA-N 1 0 207.361 3.511 20 30 BHEDRO CC[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340436564 171348046 /nfs/dbraw/zinc/34/80/46/171348046.db2.gz RTUFJIWUWNDWRL-DZGCQCFKSA-N 1 0 230.355 3.810 20 30 BHEDRO CC[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340436575 170755850 /nfs/dbraw/zinc/75/58/50/170755850.db2.gz RTUFJIWUWNDWRL-HIFRSBDPSA-N 1 0 230.355 3.810 20 30 BHEDRO CC[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340436576 386860253 /nfs/dbraw/zinc/86/02/53/386860253.db2.gz RTUFJIWUWNDWRL-UKRRQHHQSA-N 1 0 230.355 3.810 20 30 BHEDRO CC[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340436577 171346557 /nfs/dbraw/zinc/34/65/57/171346557.db2.gz RTUFJIWUWNDWRL-ZFWWWQNUSA-N 1 0 230.355 3.810 20 30 BHEDRO CC1CC([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000340445104 135184583 /nfs/dbraw/zinc/18/45/83/135184583.db2.gz KEIWFCQGTSRLDR-AVVWSFFYSA-N 1 0 242.366 3.810 20 30 BHEDRO CC1CC([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000340445105 135184265 /nfs/dbraw/zinc/18/42/65/135184265.db2.gz KEIWFCQGTSRLDR-BCLQGDPASA-N 1 0 242.366 3.810 20 30 BHEDRO N#CCCC[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000340445537 135184722 /nfs/dbraw/zinc/18/47/22/135184722.db2.gz FGWZMXNUJJLFMM-INIZCTEOSA-N 1 0 242.366 3.954 20 30 BHEDRO N#CCCC[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000340445541 135184360 /nfs/dbraw/zinc/18/43/60/135184360.db2.gz FGWZMXNUJJLFMM-MRXNPFEDSA-N 1 0 242.366 3.954 20 30 BHEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CC1 ZINC000340446034 135184846 /nfs/dbraw/zinc/18/48/46/135184846.db2.gz NEKSGEFQUNGBGB-BBRMVZONSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CC1 ZINC000340446035 135184400 /nfs/dbraw/zinc/18/44/00/135184400.db2.gz NEKSGEFQUNGBGB-CJNGLKHVSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CC1 ZINC000340446036 135184273 /nfs/dbraw/zinc/18/42/73/135184273.db2.gz NEKSGEFQUNGBGB-CZUORRHYSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CC1 ZINC000340446037 135184624 /nfs/dbraw/zinc/18/46/24/135184624.db2.gz NEKSGEFQUNGBGB-XJKSGUPXSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCC1(COC)CCC1 ZINC000340447065 166301390 /nfs/dbraw/zinc/30/13/90/166301390.db2.gz RFHYQATXCTXTPY-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCC1(COC)CCC1 ZINC000340447075 166295454 /nfs/dbraw/zinc/29/54/54/166295454.db2.gz RFHYQATXCTXTPY-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000340461697 135185754 /nfs/dbraw/zinc/18/57/54/135185754.db2.gz RYRCVELZSURGPD-CYBMUJFWSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000340461698 135185729 /nfs/dbraw/zinc/18/57/29/135185729.db2.gz RYRCVELZSURGPD-ZDUSSCGKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCC[C@H]([NH2+]CC[C@@H](C)F)c1ccco1 ZINC000340465751 388491093 /nfs/dbraw/zinc/49/10/93/388491093.db2.gz XLRLLOGIRYCZSH-NEPJUHHUSA-N 1 0 225.307 3.625 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC[C@H](C)F)c1ccco1 ZINC000340465752 385064963 /nfs/dbraw/zinc/06/49/63/385064963.db2.gz XLRLLOGIRYCZSH-NWDGAFQWSA-N 1 0 225.307 3.625 20 30 BHEDRO C=CCC[C@H]([NH2+]CC[C@H](C)F)c1ccco1 ZINC000340465753 385066856 /nfs/dbraw/zinc/06/68/56/385066856.db2.gz XLRLLOGIRYCZSH-RYUDHWBXSA-N 1 0 225.307 3.625 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC[C@@H](C)F)c1ccco1 ZINC000340465754 385065974 /nfs/dbraw/zinc/06/59/74/385065974.db2.gz XLRLLOGIRYCZSH-VXGBXAGGSA-N 1 0 225.307 3.625 20 30 BHEDRO CC[C@H]([NH2+]C1(C(C)C)CC1)c1ccc(C#N)cc1 ZINC000340477765 385327436 /nfs/dbraw/zinc/32/74/36/385327436.db2.gz HVLLCKFAYYXMAC-HNNXBMFYSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+]C1(C(C)C)CC1)c1ccc(C#N)cc1 ZINC000340477769 398340673 /nfs/dbraw/zinc/34/06/73/398340673.db2.gz HVLLCKFAYYXMAC-OAHLLOKOSA-N 1 0 242.366 3.788 20 30 BHEDRO CC(C)C1([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000340480142 385891346 /nfs/dbraw/zinc/89/13/46/385891346.db2.gz OPPQDQGNBMQRGY-LLVKDONJSA-N 1 0 246.329 3.537 20 30 BHEDRO CC(C)C1([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000340480143 385330530 /nfs/dbraw/zinc/33/05/30/385330530.db2.gz OPPQDQGNBMQRGY-NSHDSACASA-N 1 0 246.329 3.537 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340505983 352417420 /nfs/dbraw/zinc/41/74/20/352417420.db2.gz SLFIHALUBUNFCO-HNNXBMFYSA-N 1 0 245.366 3.716 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340505991 352417196 /nfs/dbraw/zinc/41/71/96/352417196.db2.gz SLFIHALUBUNFCO-OAHLLOKOSA-N 1 0 245.366 3.716 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000340532300 135191393 /nfs/dbraw/zinc/19/13/93/135191393.db2.gz LGQOEPATSLYKES-ABAIWWIYSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000340532318 135191282 /nfs/dbraw/zinc/19/12/82/135191282.db2.gz LGQOEPATSLYKES-IAQYHMDHSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000340532320 135191172 /nfs/dbraw/zinc/19/11/72/135191172.db2.gz LGQOEPATSLYKES-NHYWBVRUSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000340533116 135191385 /nfs/dbraw/zinc/19/13/85/135191385.db2.gz LGQOEPATSLYKES-XHDPSFHLSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340534993 135190992 /nfs/dbraw/zinc/19/09/92/135190992.db2.gz CPJOMGUXUDNTHJ-DOMZBBRYSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340535000 135191420 /nfs/dbraw/zinc/19/14/20/135191420.db2.gz CPJOMGUXUDNTHJ-IUODEOHRSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340535006 534379524 /nfs/dbraw/zinc/37/95/24/534379524.db2.gz CPJOMGUXUDNTHJ-SWLSCSKDSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340535009 534380480 /nfs/dbraw/zinc/38/04/80/534380480.db2.gz CPJOMGUXUDNTHJ-WFASDCNBSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000340542186 388492592 /nfs/dbraw/zinc/49/25/92/388492592.db2.gz MTAQGARYWDYAOD-BBRMVZONSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000340542187 135438492 /nfs/dbraw/zinc/43/84/92/135438492.db2.gz MTAQGARYWDYAOD-CJNGLKHVSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000340542188 388493071 /nfs/dbraw/zinc/49/30/71/388493071.db2.gz MTAQGARYWDYAOD-CZUORRHYSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000340542189 385086713 /nfs/dbraw/zinc/08/67/13/385086713.db2.gz MTAQGARYWDYAOD-XJKSGUPXSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000340542282 135192222 /nfs/dbraw/zinc/19/22/22/135192222.db2.gz LTIPNHMUYWCIRK-BBRMVZONSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000340542286 135191683 /nfs/dbraw/zinc/19/16/83/135191683.db2.gz LTIPNHMUYWCIRK-CJNGLKHVSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000340542291 135192528 /nfs/dbraw/zinc/19/25/28/135192528.db2.gz LTIPNHMUYWCIRK-CZUORRHYSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000340542296 135192591 /nfs/dbraw/zinc/19/25/91/135192591.db2.gz LTIPNHMUYWCIRK-XJKSGUPXSA-N 1 0 229.367 3.927 20 30 BHEDRO Cc1ccc([C@H](C)[N@H+](C)CCCC#N)c(C)c1 ZINC000340638929 135206532 /nfs/dbraw/zinc/20/65/32/135206532.db2.gz YOGYXFBACPWLKH-AWEZNQCLSA-N 1 0 230.355 3.600 20 30 BHEDRO Cc1ccc([C@@H](C)[N@H+](C)CCCC#N)c(C)c1 ZINC000340638931 135206427 /nfs/dbraw/zinc/20/64/27/135206427.db2.gz YOGYXFBACPWLKH-CQSZACIVSA-N 1 0 230.355 3.600 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000340766585 135229072 /nfs/dbraw/zinc/22/90/72/135229072.db2.gz ZBMIBYPUOBFBOX-GFCCVEGCSA-N 1 0 221.344 3.765 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000340766587 135229043 /nfs/dbraw/zinc/22/90/43/135229043.db2.gz ZBMIBYPUOBFBOX-LBPRGKRZSA-N 1 0 221.344 3.765 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000340833418 135229707 /nfs/dbraw/zinc/22/97/07/135229707.db2.gz MNVBSFFPQVDQPU-AWEZNQCLSA-N 1 0 232.371 3.567 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000340833429 135229926 /nfs/dbraw/zinc/22/99/26/135229926.db2.gz MNVBSFFPQVDQPU-CQSZACIVSA-N 1 0 232.371 3.567 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC2(CCC2)C1 ZINC000340866678 135230534 /nfs/dbraw/zinc/23/05/34/135230534.db2.gz GXIACXPYVTWPPA-CYBMUJFWSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCC2(CCC2)C1 ZINC000340867060 135230677 /nfs/dbraw/zinc/23/06/77/135230677.db2.gz GXIACXPYVTWPPA-ZDUSSCGKSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000340922301 135232079 /nfs/dbraw/zinc/23/20/79/135232079.db2.gz WSFRZDUKZOBVRJ-LLVKDONJSA-N 1 0 238.400 3.628 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1scnc1C ZINC000340922320 135232569 /nfs/dbraw/zinc/23/25/69/135232569.db2.gz WSFRZDUKZOBVRJ-NSHDSACASA-N 1 0 238.400 3.628 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000340939510 135231336 /nfs/dbraw/zinc/23/13/36/135231336.db2.gz LUGZEBIUAPZYPO-GFCCVEGCSA-N 1 0 221.344 3.765 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000340939511 135231048 /nfs/dbraw/zinc/23/10/48/135231048.db2.gz LUGZEBIUAPZYPO-LBPRGKRZSA-N 1 0 221.344 3.765 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000340944573 135231608 /nfs/dbraw/zinc/23/16/08/135231608.db2.gz AGRNLDCDTBNWPQ-LLVKDONJSA-N 1 0 238.400 3.628 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000340944574 135231539 /nfs/dbraw/zinc/23/15/39/135231539.db2.gz AGRNLDCDTBNWPQ-NSHDSACASA-N 1 0 238.400 3.628 20 30 BHEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)C(C)C ZINC000340944929 346616880 /nfs/dbraw/zinc/61/68/80/346616880.db2.gz WWOPYYSCEGLOMA-GFCCVEGCSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)C(C)C ZINC000340944935 346626073 /nfs/dbraw/zinc/62/60/73/346626073.db2.gz WWOPYYSCEGLOMA-LBPRGKRZSA-N 1 0 248.345 3.564 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1cn(C(C)C)nc1C ZINC000341374289 534753090 /nfs/dbraw/zinc/75/30/90/534753090.db2.gz LEZBMEJAJKWUDQ-CYBMUJFWSA-N 1 0 249.402 3.607 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1cn(C(C)C)nc1C ZINC000341374295 534761767 /nfs/dbraw/zinc/76/17/67/534761767.db2.gz LEZBMEJAJKWUDQ-ZDUSSCGKSA-N 1 0 249.402 3.607 20 30 BHEDRO C[C@]1([NH2+]CCCCC#N)CCCc2ccccc21 ZINC000341710039 135242519 /nfs/dbraw/zinc/24/25/19/135242519.db2.gz VSFUGYGXVLAUNC-INIZCTEOSA-N 1 0 242.366 3.522 20 30 BHEDRO C[C@@]1([NH2+]CCCCC#N)CCCc2ccccc21 ZINC000341710040 135242705 /nfs/dbraw/zinc/24/27/05/135242705.db2.gz VSFUGYGXVLAUNC-MRXNPFEDSA-N 1 0 242.366 3.522 20 30 BHEDRO CC(C)(C)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341758754 166592169 /nfs/dbraw/zinc/59/21/69/166592169.db2.gz CNAMHPXWHLBLMS-HNNXBMFYSA-N 1 0 242.366 3.571 20 30 BHEDRO CC(C)(C)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341758755 166591640 /nfs/dbraw/zinc/59/16/40/166591640.db2.gz CNAMHPXWHLBLMS-OAHLLOKOSA-N 1 0 242.366 3.571 20 30 BHEDRO CCC(CC)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341759363 168392575 /nfs/dbraw/zinc/39/25/75/168392575.db2.gz UKWLGOCQWJQHAY-INIZCTEOSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC(CC)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341759364 168390959 /nfs/dbraw/zinc/39/09/59/168390959.db2.gz UKWLGOCQWJQHAY-MRXNPFEDSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341759933 386806535 /nfs/dbraw/zinc/80/65/35/386806535.db2.gz WOMHNRNWXVNYQI-BLLLJJGKSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341759934 386804697 /nfs/dbraw/zinc/80/46/97/386804697.db2.gz WOMHNRNWXVNYQI-LRDDRELGSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341759935 169371225 /nfs/dbraw/zinc/37/12/25/169371225.db2.gz WOMHNRNWXVNYQI-MLGOLLRUSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341759936 169371479 /nfs/dbraw/zinc/37/14/79/169371479.db2.gz WOMHNRNWXVNYQI-WBMJQRKESA-N 1 0 242.366 3.714 20 30 BHEDRO CC(C)CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341760473 166865623 /nfs/dbraw/zinc/86/56/23/166865623.db2.gz ZFFMTUZGYAJJNH-INIZCTEOSA-N 1 0 242.366 3.571 20 30 BHEDRO CC(C)CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341760474 386806351 /nfs/dbraw/zinc/80/63/51/386806351.db2.gz ZFFMTUZGYAJJNH-MRXNPFEDSA-N 1 0 242.366 3.571 20 30 BHEDRO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341761240 188217701 /nfs/dbraw/zinc/21/77/01/188217701.db2.gz OXMCDQLGLANDFU-BLLLJJGKSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341761241 187355724 /nfs/dbraw/zinc/35/57/24/187355724.db2.gz OXMCDQLGLANDFU-LRDDRELGSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341761242 167384170 /nfs/dbraw/zinc/38/41/70/167384170.db2.gz OXMCDQLGLANDFU-MLGOLLRUSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341761243 167385054 /nfs/dbraw/zinc/38/50/54/167385054.db2.gz OXMCDQLGLANDFU-WBMJQRKESA-N 1 0 242.366 3.570 20 30 BHEDRO C=CC[NH2+][C@@H](CCCC)c1ccc(OC)cc1 ZINC000341786190 135243120 /nfs/dbraw/zinc/24/31/20/135243120.db2.gz BWHFWOIBACGDLW-HNNXBMFYSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CC[NH2+][C@H](CCCC)c1ccc(OC)cc1 ZINC000341786191 135243489 /nfs/dbraw/zinc/24/34/89/135243489.db2.gz BWHFWOIBACGDLW-OAHLLOKOSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000341847596 135244045 /nfs/dbraw/zinc/24/40/45/135244045.db2.gz PKHQXNGBUDZONE-AWEZNQCLSA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000341847598 534736069 /nfs/dbraw/zinc/73/60/69/534736069.db2.gz PKHQXNGBUDZONE-CQSZACIVSA-N 1 0 239.309 3.972 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000341852532 534419133 /nfs/dbraw/zinc/41/91/33/534419133.db2.gz KUOPCRMLNZQKSL-AWEZNQCLSA-N 1 0 239.309 3.972 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000341852533 534420029 /nfs/dbraw/zinc/42/00/29/534420029.db2.gz KUOPCRMLNZQKSL-CQSZACIVSA-N 1 0 239.309 3.972 20 30 BHEDRO N#CCCCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000341879483 135243857 /nfs/dbraw/zinc/24/38/57/135243857.db2.gz SSEFQAPELHUDBC-UHFFFAOYSA-N 1 0 248.757 3.613 20 30 BHEDRO CC(C)CC[N@H+](CCC#N)CCC(C)(C)C ZINC000341887176 135243784 /nfs/dbraw/zinc/24/37/84/135243784.db2.gz YBRYCOOFVBDGSS-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO CC(C)(C)CC[N@H+](CCC#N)CC(C)(C)C ZINC000341888406 135243971 /nfs/dbraw/zinc/24/39/71/135243971.db2.gz JPTWFBIQBQNVPT-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCOCC)c1ccccc1 ZINC000341935336 166301618 /nfs/dbraw/zinc/30/16/18/166301618.db2.gz ZCAOYDSQCXIYQT-INIZCTEOSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCOCC)c1ccccc1 ZINC000341935339 166295088 /nfs/dbraw/zinc/29/50/88/166295088.db2.gz ZCAOYDSQCXIYQT-MRXNPFEDSA-N 1 0 247.382 3.710 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)cc(C)c1F ZINC000341946839 178225035 /nfs/dbraw/zinc/22/50/35/178225035.db2.gz RNFVCIGOPYXVME-CYBMUJFWSA-N 1 0 248.345 3.787 20 30 BHEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)cc(C)c1F ZINC000341946840 178246844 /nfs/dbraw/zinc/24/68/44/178246844.db2.gz RNFVCIGOPYXVME-ZDUSSCGKSA-N 1 0 248.345 3.787 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000341977333 534419807 /nfs/dbraw/zinc/41/98/07/534419807.db2.gz BCPJXCFXSWBFEI-AWEZNQCLSA-N 1 0 239.309 3.972 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000341977334 534420556 /nfs/dbraw/zinc/42/05/56/534420556.db2.gz BCPJXCFXSWBFEI-CQSZACIVSA-N 1 0 239.309 3.972 20 30 BHEDRO CC[N@H+](Cc1ccc(CC#N)cc1)C1CCCC1 ZINC000341987156 385115978 /nfs/dbraw/zinc/11/59/78/385115978.db2.gz GVGFBMHWOZMLKV-UHFFFAOYSA-N 1 0 242.366 3.517 20 30 BHEDRO C=C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000341992354 385915629 /nfs/dbraw/zinc/91/56/29/385915629.db2.gz IJWKBFZFZQNRBD-GFCCVEGCSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000341992358 385916085 /nfs/dbraw/zinc/91/60/85/385916085.db2.gz IJWKBFZFZQNRBD-LBPRGKRZSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000341997526 534736291 /nfs/dbraw/zinc/73/62/91/534736291.db2.gz UCMMJOODXFPFKQ-CQSZACIVSA-N 1 0 239.309 3.972 20 30 BHEDRO C=C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000342000080 534467398 /nfs/dbraw/zinc/46/73/98/534467398.db2.gz YOEPAIZCDKWNEM-GFCCVEGCSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000342000081 135245273 /nfs/dbraw/zinc/24/52/73/135245273.db2.gz YOEPAIZCDKWNEM-LBPRGKRZSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000342016255 534468356 /nfs/dbraw/zinc/46/83/56/534468356.db2.gz WRTZZQQLRYSNJA-GFCCVEGCSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000342016257 135245549 /nfs/dbraw/zinc/24/55/49/135245549.db2.gz WRTZZQQLRYSNJA-LBPRGKRZSA-N 1 0 219.303 3.539 20 30 BHEDRO Cc1ccccc1[C@H](C)[N@@H+](CCC#N)CC(C)C ZINC000342051317 135246688 /nfs/dbraw/zinc/24/66/88/135246688.db2.gz SERLZPJKSQIUMT-HNNXBMFYSA-N 1 0 244.382 3.928 20 30 BHEDRO Cc1ccccc1[C@@H](C)[N@@H+](CCC#N)CC(C)C ZINC000342051319 135246887 /nfs/dbraw/zinc/24/68/87/135246887.db2.gz SERLZPJKSQIUMT-OAHLLOKOSA-N 1 0 244.382 3.928 20 30 BHEDRO CC/C=C/CC[N@H+](CCC#N)CCC(C)C ZINC000342183202 135250541 /nfs/dbraw/zinc/25/05/41/135250541.db2.gz FCDCNPXPABKHFN-AATRIKPKSA-N 1 0 222.376 3.604 20 30 BHEDRO CC/C=C\CC[N@H+](CCC#N)CCC(C)C ZINC000342183203 135250827 /nfs/dbraw/zinc/25/08/27/135250827.db2.gz FCDCNPXPABKHFN-WAYWQWQTSA-N 1 0 222.376 3.604 20 30 BHEDRO N#CCCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342184220 135250236 /nfs/dbraw/zinc/25/02/36/135250236.db2.gz RAUDUXWEJDJELW-UHFFFAOYSA-N 1 0 234.387 3.773 20 30 BHEDRO CC/C=C\CC[N@H+](CCC#N)CC(C)(C)C ZINC000342201213 346557321 /nfs/dbraw/zinc/55/73/21/346557321.db2.gz BNMRGYQXENHUBV-SREVYHEPSA-N 1 0 222.376 3.604 20 30 BHEDRO C=CC[NH2+][C@@H](CC(C)C)c1ccccc1OCC ZINC000342230231 135253749 /nfs/dbraw/zinc/25/37/49/135253749.db2.gz MGOPVMUDPBTRCR-HNNXBMFYSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CC[NH2+][C@H](CC(C)C)c1ccccc1OCC ZINC000342230241 135253984 /nfs/dbraw/zinc/25/39/84/135253984.db2.gz MGOPVMUDPBTRCR-OAHLLOKOSA-N 1 0 247.382 3.948 20 30 BHEDRO Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1C ZINC000342278317 135260251 /nfs/dbraw/zinc/26/02/51/135260251.db2.gz DBNRERDMARMIPE-UHFFFAOYSA-N 1 0 244.382 3.723 20 30 BHEDRO Cc1ccc(F)cc1C[NH2+]CC(C)(C)CCC#N ZINC000342279281 135255384 /nfs/dbraw/zinc/25/53/84/135255384.db2.gz DHYXDZKJYLFSJC-UHFFFAOYSA-N 1 0 248.345 3.554 20 30 BHEDRO Cc1cc(F)ccc1C[NH2+]CC(C)(C)CCC#N ZINC000342294507 135257309 /nfs/dbraw/zinc/25/73/09/135257309.db2.gz HLWFCHHTAPMPFI-UHFFFAOYSA-N 1 0 248.345 3.554 20 30 BHEDRO Cc1cc(C)cc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000342302144 135258213 /nfs/dbraw/zinc/25/82/13/135258213.db2.gz NMNFPEOAFWNCAY-UHFFFAOYSA-N 1 0 244.382 3.723 20 30 BHEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000342305533 135258193 /nfs/dbraw/zinc/25/81/93/135258193.db2.gz VVMWYWOCBUUDPQ-CABCVRRESA-N 1 0 248.414 3.898 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000342305541 535242977 /nfs/dbraw/zinc/24/29/77/535242977.db2.gz VVMWYWOCBUUDPQ-GJZGRUSLSA-N 1 0 248.414 3.898 20 30 BHEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000342305544 135258286 /nfs/dbraw/zinc/25/82/86/135258286.db2.gz VVMWYWOCBUUDPQ-HUUCEWRRSA-N 1 0 248.414 3.898 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000342305546 135257729 /nfs/dbraw/zinc/25/77/29/135257729.db2.gz VVMWYWOCBUUDPQ-LSDHHAIUSA-N 1 0 248.414 3.898 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CC1CCCCCC1 ZINC000342310509 365542661 /nfs/dbraw/zinc/54/26/61/365542661.db2.gz YAGQFFPNZSBZSR-UHFFFAOYSA-N 1 0 236.403 3.876 20 30 BHEDRO Cc1cccc(C)c1[C@H](C)[NH2+]CCCCC#N ZINC000342479932 135272129 /nfs/dbraw/zinc/27/21/29/135272129.db2.gz GNNUMYJLZPEEJS-AWEZNQCLSA-N 1 0 230.355 3.648 20 30 BHEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCCCC#N ZINC000342479939 135272418 /nfs/dbraw/zinc/27/24/18/135272418.db2.gz GNNUMYJLZPEEJS-CQSZACIVSA-N 1 0 230.355 3.648 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000342570028 534388385 /nfs/dbraw/zinc/38/83/85/534388385.db2.gz NZTLHYWRKICAEX-AWEZNQCLSA-N 1 0 249.354 3.529 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000342570029 534385462 /nfs/dbraw/zinc/38/54/62/534385462.db2.gz NZTLHYWRKICAEX-CQSZACIVSA-N 1 0 249.354 3.529 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(C#N)cc1F ZINC000342604195 135301937 /nfs/dbraw/zinc/30/19/37/135301937.db2.gz YPUXFZGXZUZHHY-HZMBPMFUSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(C#N)cc1F ZINC000342604196 135301618 /nfs/dbraw/zinc/30/16/18/135301618.db2.gz YPUXFZGXZUZHHY-IINYFYTJSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(C#N)cc1F ZINC000342604197 135301830 /nfs/dbraw/zinc/30/18/30/135301830.db2.gz YPUXFZGXZUZHHY-QMTHXVAHSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(C#N)cc1F ZINC000342604198 135302257 /nfs/dbraw/zinc/30/22/57/135302257.db2.gz YPUXFZGXZUZHHY-YGRLFVJLSA-N 1 0 246.329 3.537 20 30 BHEDRO CCC1CC([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000342701328 135306918 /nfs/dbraw/zinc/30/69/18/135306918.db2.gz RXTWJCRCVZAECV-AVVWSFFYSA-N 1 0 242.366 3.810 20 30 BHEDRO CCC1CC([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000342701329 135307272 /nfs/dbraw/zinc/30/72/72/135307272.db2.gz RXTWJCRCVZAECV-BCLQGDPASA-N 1 0 242.366 3.810 20 30 BHEDRO CC(C)[N@H+](Cc1ccc(CC#N)cc1)C1CCC1 ZINC000342722810 535090631 /nfs/dbraw/zinc/09/06/31/535090631.db2.gz ISZGDWXEQNNCJM-UHFFFAOYSA-N 1 0 242.366 3.516 20 30 BHEDRO CCCC1CCC(C[N@H+](C)[C@@H](C)CC#N)CC1 ZINC000342747242 534917453 /nfs/dbraw/zinc/91/74/53/534917453.db2.gz VTYGLXCQSSDQHX-NFOMZHRRSA-N 1 0 236.403 3.827 20 30 BHEDRO CCCC1CCC(C[N@H+](C)[C@H](C)CC#N)CC1 ZINC000342747243 534917045 /nfs/dbraw/zinc/91/70/45/534917045.db2.gz VTYGLXCQSSDQHX-WLYUNCDWSA-N 1 0 236.403 3.827 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343102746 133621998 /nfs/dbraw/zinc/62/19/98/133621998.db2.gz MWGOHYUVNYWONE-AWEZNQCLSA-N 1 0 248.757 3.611 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343102759 133622353 /nfs/dbraw/zinc/62/23/53/133622353.db2.gz MWGOHYUVNYWONE-CQSZACIVSA-N 1 0 248.757 3.611 20 30 BHEDRO Cc1ccc([C@H](C)[N@H+](C)CC2(C#N)CC2)c(C)c1 ZINC000343145685 135360392 /nfs/dbraw/zinc/36/03/92/135360392.db2.gz WTODKNCUOAUTKB-AWEZNQCLSA-N 1 0 242.366 3.600 20 30 BHEDRO Cc1ccc([C@@H](C)[N@H+](C)CC2(C#N)CC2)c(C)c1 ZINC000343145686 135360572 /nfs/dbraw/zinc/36/05/72/135360572.db2.gz WTODKNCUOAUTKB-CQSZACIVSA-N 1 0 242.366 3.600 20 30 BHEDRO Cc1ccc(C[N@H+](CC2(C#N)CC2)C(C)C)s1 ZINC000343150928 135361706 /nfs/dbraw/zinc/36/17/06/135361706.db2.gz RZMZQJJZAPPPCY-UHFFFAOYSA-N 1 0 248.395 3.571 20 30 BHEDRO CCC1CCC([N@H+](CC2(C#N)CC2)C2CC2)CC1 ZINC000343157351 135362813 /nfs/dbraw/zinc/36/28/13/135362813.db2.gz HCSNTKZZHQGODT-UHFFFAOYSA-N 1 0 246.398 3.723 20 30 BHEDRO CC[C@H](C)[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000343246944 386624500 /nfs/dbraw/zinc/62/45/00/386624500.db2.gz IZCJJLRQBODEPR-AWEZNQCLSA-N 1 0 242.366 3.591 20 30 BHEDRO CC[C@@H](C)[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000343246950 386624262 /nfs/dbraw/zinc/62/42/62/386624262.db2.gz IZCJJLRQBODEPR-CQSZACIVSA-N 1 0 242.366 3.591 20 30 BHEDRO N#CC1(C[N@@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000343313443 353628740 /nfs/dbraw/zinc/62/87/40/353628740.db2.gz ICJCDFYNTJJRGN-UHFFFAOYSA-N 1 0 246.398 3.727 20 30 BHEDRO CC(C)(C)[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000343315370 353641418 /nfs/dbraw/zinc/64/14/18/353641418.db2.gz PPKMNWOHRKFEHX-UHFFFAOYSA-N 1 0 242.366 3.591 20 30 BHEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CC1(C#N)CC1 ZINC000343316496 353654599 /nfs/dbraw/zinc/65/45/99/353654599.db2.gz SLCDPHINGXQCJB-HNNXBMFYSA-N 1 0 242.366 3.619 20 30 BHEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CC1(C#N)CC1 ZINC000343316502 353654588 /nfs/dbraw/zinc/65/45/88/353654588.db2.gz SLCDPHINGXQCJB-OAHLLOKOSA-N 1 0 242.366 3.619 20 30 BHEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000343321214 353679193 /nfs/dbraw/zinc/67/91/93/353679193.db2.gz FMKAKJCOASUEPT-AWEZNQCLSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000343321220 353679146 /nfs/dbraw/zinc/67/91/46/353679146.db2.gz FMKAKJCOASUEPT-CQSZACIVSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CCC[N@@H+](C)Cc1c(C)oc2ccccc21 ZINC000343443789 353890334 /nfs/dbraw/zinc/89/03/34/353890334.db2.gz OHGSPNGOYXFSGC-UHFFFAOYSA-N 1 0 229.323 3.749 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000343451288 353893084 /nfs/dbraw/zinc/89/30/84/353893084.db2.gz XTNMPWACMXRRAK-UHFFFAOYSA-N 1 0 233.286 3.580 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000343454550 353894700 /nfs/dbraw/zinc/89/47/00/353894700.db2.gz KJLRPGRQVHRAQU-KKUMJFAQSA-N 1 0 244.382 3.580 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000343454640 353894210 /nfs/dbraw/zinc/89/42/10/353894210.db2.gz KJLRPGRQVHRAQU-RRFJBIMHSA-N 1 0 244.382 3.580 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000343454646 353894247 /nfs/dbraw/zinc/89/42/47/353894247.db2.gz KJLRPGRQVHRAQU-SOUVJXGZSA-N 1 0 244.382 3.580 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000343454650 353894315 /nfs/dbraw/zinc/89/43/15/353894315.db2.gz KJLRPGRQVHRAQU-ZNMIVQPWSA-N 1 0 244.382 3.580 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000343470999 353899684 /nfs/dbraw/zinc/89/96/84/353899684.db2.gz OVTJAYLXQIEDQY-UHFFFAOYSA-N 1 0 240.350 3.551 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000343485192 353906233 /nfs/dbraw/zinc/90/62/33/353906233.db2.gz GQXHNOWRFFQCSB-GFCCVEGCSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000343485195 353906109 /nfs/dbraw/zinc/90/61/09/353906109.db2.gz GQXHNOWRFFQCSB-LBPRGKRZSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cccc(SCC)c1 ZINC000343491656 353909395 /nfs/dbraw/zinc/90/93/95/353909395.db2.gz OAEOKAUKNMSOON-UHFFFAOYSA-N 1 0 235.396 3.807 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000343507501 353922061 /nfs/dbraw/zinc/92/20/61/353922061.db2.gz OXYQFHFQQXRUKJ-CVEARBPZSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000343507532 353921995 /nfs/dbraw/zinc/92/19/95/353921995.db2.gz OXYQFHFQQXRUKJ-HOTGVXAUSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000343507534 353922273 /nfs/dbraw/zinc/92/22/73/353922273.db2.gz OXYQFHFQQXRUKJ-HZPDHXFCSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000343507537 534380320 /nfs/dbraw/zinc/38/03/20/534380320.db2.gz OXYQFHFQQXRUKJ-JKSUJKDBSA-N 1 0 242.366 3.954 20 30 BHEDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343548046 388501108 /nfs/dbraw/zinc/50/11/08/388501108.db2.gz HZEQHDNKDJZWEA-AWEZNQCLSA-N 1 0 242.366 3.517 20 30 BHEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343548048 388500849 /nfs/dbraw/zinc/50/08/49/388500849.db2.gz HZEQHDNKDJZWEA-CQSZACIVSA-N 1 0 242.366 3.517 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343561547 353935131 /nfs/dbraw/zinc/93/51/31/353935131.db2.gz IOWVEJLEEUCHNO-HNNXBMFYSA-N 1 0 240.350 3.587 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343561549 353935101 /nfs/dbraw/zinc/93/51/01/353935101.db2.gz IOWVEJLEEUCHNO-OAHLLOKOSA-N 1 0 240.350 3.587 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000343565843 353936290 /nfs/dbraw/zinc/93/62/90/353936290.db2.gz RHWMVJZVADWVSO-CYBMUJFWSA-N 1 0 248.757 3.684 20 30 BHEDRO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000343565844 353935685 /nfs/dbraw/zinc/93/56/85/353935685.db2.gz RHWMVJZVADWVSO-ZDUSSCGKSA-N 1 0 248.757 3.684 20 30 BHEDRO CC(C)C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343568027 353936906 /nfs/dbraw/zinc/93/69/06/353936906.db2.gz XULPZZXJMSNNBE-HNNXBMFYSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343568030 353936842 /nfs/dbraw/zinc/93/68/42/353936842.db2.gz XULPZZXJMSNNBE-OAHLLOKOSA-N 1 0 242.366 3.667 20 30 BHEDRO Cc1ccccc1[C@@H]([NH2+]CC1(C#N)CC1)C(C)C ZINC000343582502 353939903 /nfs/dbraw/zinc/93/99/03/353939903.db2.gz PQPNVRIRSWDQJW-HNNXBMFYSA-N 1 0 242.366 3.586 20 30 BHEDRO Cc1ccccc1[C@H]([NH2+]CC1(C#N)CC1)C(C)C ZINC000343582508 353939866 /nfs/dbraw/zinc/93/98/66/353939866.db2.gz PQPNVRIRSWDQJW-OAHLLOKOSA-N 1 0 242.366 3.586 20 30 BHEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343707315 388502301 /nfs/dbraw/zinc/50/23/01/388502301.db2.gz HSAOHUMNRNAACI-BBRMVZONSA-N 1 0 242.366 3.516 20 30 BHEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343707316 385232313 /nfs/dbraw/zinc/23/23/13/385232313.db2.gz HSAOHUMNRNAACI-CJNGLKHVSA-N 1 0 242.366 3.516 20 30 BHEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343707317 385230526 /nfs/dbraw/zinc/23/05/26/385230526.db2.gz HSAOHUMNRNAACI-CZUORRHYSA-N 1 0 242.366 3.516 20 30 BHEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343707318 385230340 /nfs/dbraw/zinc/23/03/40/385230340.db2.gz HSAOHUMNRNAACI-XJKSGUPXSA-N 1 0 242.366 3.516 20 30 BHEDRO CC(C)CC1(C)CC[NH+](CCCCC#N)CC1 ZINC000343961659 354074469 /nfs/dbraw/zinc/07/44/69/354074469.db2.gz JPLHRMPNFOFAFG-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)c2ccccc21 ZINC000344088278 354137755 /nfs/dbraw/zinc/13/77/55/354137755.db2.gz QBTYAJJNAOEJBV-DOMZBBRYSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)c2ccccc21 ZINC000344088284 354138182 /nfs/dbraw/zinc/13/81/82/354138182.db2.gz QBTYAJJNAOEJBV-IUODEOHRSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)c2ccccc21 ZINC000344088287 354138031 /nfs/dbraw/zinc/13/80/31/354138031.db2.gz QBTYAJJNAOEJBV-SWLSCSKDSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)c2ccccc21 ZINC000344088289 354137871 /nfs/dbraw/zinc/13/78/71/354137871.db2.gz QBTYAJJNAOEJBV-WFASDCNBSA-N 1 0 240.350 3.518 20 30 BHEDRO C=CCC[N@@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000344155183 354156821 /nfs/dbraw/zinc/15/68/21/354156821.db2.gz KDOZYWLTYVZXLK-UHFFFAOYSA-N 1 0 235.293 3.615 20 30 BHEDRO CC1CCC(C)([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000344220927 343378979 /nfs/dbraw/zinc/37/89/79/343378979.db2.gz POPHCIWMQGCOER-UHFFFAOYSA-N 1 0 242.366 3.617 20 30 BHEDRO C[C@@H](CCc1ccccc1)C[NH2+]CCCCC#N ZINC000344256984 354191564 /nfs/dbraw/zinc/19/15/64/354191564.db2.gz HDCFPRXPRSPIBJ-HNNXBMFYSA-N 1 0 244.382 3.539 20 30 BHEDRO C[C@H](CCc1ccccc1)C[NH2+]CCCCC#N ZINC000344256987 354191501 /nfs/dbraw/zinc/19/15/01/354191501.db2.gz HDCFPRXPRSPIBJ-OAHLLOKOSA-N 1 0 244.382 3.539 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCCc2occc2C1 ZINC000344257250 354191455 /nfs/dbraw/zinc/19/14/55/354191455.db2.gz IXGAGNDVFGBZTO-CYBMUJFWSA-N 1 0 233.355 3.773 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCCc2occc2C1 ZINC000344257303 354191481 /nfs/dbraw/zinc/19/14/81/354191481.db2.gz IXGAGNDVFGBZTO-ZDUSSCGKSA-N 1 0 233.355 3.773 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344281014 354200729 /nfs/dbraw/zinc/20/07/29/354200729.db2.gz ABQSQPAVKMDFRV-ABAIWWIYSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344281024 354200640 /nfs/dbraw/zinc/20/06/40/354200640.db2.gz ABQSQPAVKMDFRV-IAQYHMDHSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344281025 354200574 /nfs/dbraw/zinc/20/05/74/354200574.db2.gz ABQSQPAVKMDFRV-NHYWBVRUSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344281026 354200464 /nfs/dbraw/zinc/20/04/64/354200464.db2.gz ABQSQPAVKMDFRV-XHDPSFHLSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000344281048 534761123 /nfs/dbraw/zinc/76/11/23/534761123.db2.gz AGWYXIGSHORCJO-KBPBESRZSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000344281051 534753488 /nfs/dbraw/zinc/75/34/88/534753488.db2.gz AGWYXIGSHORCJO-KGLIPLIRSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000344281052 354201352 /nfs/dbraw/zinc/20/13/52/354201352.db2.gz AGWYXIGSHORCJO-UONOGXRCSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000344281054 354201399 /nfs/dbraw/zinc/20/13/99/354201399.db2.gz AGWYXIGSHORCJO-ZIAGYGMSSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000344292740 388505982 /nfs/dbraw/zinc/50/59/82/388505982.db2.gz GJQBEDAHZANZBF-NEPJUHHUSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000344292741 388506219 /nfs/dbraw/zinc/50/62/19/388506219.db2.gz GJQBEDAHZANZBF-NWDGAFQWSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000344292742 388506334 /nfs/dbraw/zinc/50/63/34/388506334.db2.gz GJQBEDAHZANZBF-RYUDHWBXSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000344292743 388505690 /nfs/dbraw/zinc/50/56/90/388505690.db2.gz GJQBEDAHZANZBF-VXGBXAGGSA-N 1 0 236.334 3.616 20 30 BHEDRO CC#CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344321735 354245905 /nfs/dbraw/zinc/24/59/05/354245905.db2.gz JRHKUGVJYJWPGH-INIZCTEOSA-N 1 0 227.351 3.531 20 30 BHEDRO CC#CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344321736 354246210 /nfs/dbraw/zinc/24/62/10/354246210.db2.gz JRHKUGVJYJWPGH-MRXNPFEDSA-N 1 0 227.351 3.531 20 30 BHEDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCC#N ZINC000344324267 354247424 /nfs/dbraw/zinc/24/74/24/354247424.db2.gz KDBPUBLJSKRYNI-BENRWUELSA-N 1 0 248.757 3.637 20 30 BHEDRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCC#N ZINC000344324273 354247458 /nfs/dbraw/zinc/24/74/58/354247458.db2.gz KDBPUBLJSKRYNI-ZRDIBKRKSA-N 1 0 248.757 3.637 20 30 BHEDRO CC(C)(C)[C@H]1CCC[C@H]([NH2+]CCCC#N)CC1 ZINC000344332720 135763314 /nfs/dbraw/zinc/76/33/14/135763314.db2.gz ZHZWWBXQCOBHNS-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CCCC#N)CC1 ZINC000344332723 354228518 /nfs/dbraw/zinc/22/85/18/354228518.db2.gz ZHZWWBXQCOBHNS-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CCCC#N)CC1 ZINC000344332724 354228750 /nfs/dbraw/zinc/22/87/50/354228750.db2.gz ZHZWWBXQCOBHNS-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CCCC#N)CC1 ZINC000344332726 354228447 /nfs/dbraw/zinc/22/84/47/354228447.db2.gz ZHZWWBXQCOBHNS-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000344347939 354238571 /nfs/dbraw/zinc/23/85/71/354238571.db2.gz HVYFLCXFVZHIQE-QLFBSQMISA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000344347942 354238522 /nfs/dbraw/zinc/23/85/22/354238522.db2.gz HVYFLCXFVZHIQE-RBSFLKMASA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000344347945 354238458 /nfs/dbraw/zinc/23/84/58/354238458.db2.gz HVYFLCXFVZHIQE-RRFJBIMHSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000344347949 354238815 /nfs/dbraw/zinc/23/88/15/354238815.db2.gz HVYFLCXFVZHIQE-SOUVJXGZSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)C1CCC(C[NH2+]CCCC#N)CC1 ZINC000344354041 135766141 /nfs/dbraw/zinc/76/61/41/135766141.db2.gz JZBNLRYGCWBCSV-UHFFFAOYSA-N 1 0 236.403 3.732 20 30 BHEDRO C=CCCC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000344591979 354321221 /nfs/dbraw/zinc/32/12/21/354321221.db2.gz ZDZSYKPUMBNQTE-UHFFFAOYSA-N 1 0 246.398 3.708 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000344634269 354332215 /nfs/dbraw/zinc/33/22/15/354332215.db2.gz SAHGTJDILQVZQO-CABCVRRESA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000344634270 354332376 /nfs/dbraw/zinc/33/23/76/354332376.db2.gz SAHGTJDILQVZQO-GJZGRUSLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000344634271 535007299 /nfs/dbraw/zinc/00/72/99/535007299.db2.gz SAHGTJDILQVZQO-HUUCEWRRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000344634272 354332362 /nfs/dbraw/zinc/33/23/62/354332362.db2.gz SAHGTJDILQVZQO-LSDHHAIUSA-N 1 0 248.414 3.875 20 30 BHEDRO CCCC1(C[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC000344767265 135464954 /nfs/dbraw/zinc/46/49/54/135464954.db2.gz BLVWFNNBAHWUCH-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO CCCC1(C[NH2+]Cc2cccc(C#N)c2)CCC1 ZINC000344830824 384078025 /nfs/dbraw/zinc/07/80/25/384078025.db2.gz VOQOOLUKCIWAJY-UHFFFAOYSA-N 1 0 242.366 3.618 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)CCC(C)(C)C#N ZINC000345733181 354747536 /nfs/dbraw/zinc/74/75/36/354747536.db2.gz KFIRDKQHYYYTTB-UHFFFAOYSA-N 1 0 249.402 3.578 20 30 BHEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(C)cc1 ZINC000345955603 535899014 /nfs/dbraw/zinc/89/90/14/535899014.db2.gz STVLOPQRRCYHPW-HNNXBMFYSA-N 1 0 244.382 3.976 20 30 BHEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(C)cc1 ZINC000345955604 354819991 /nfs/dbraw/zinc/81/99/91/354819991.db2.gz STVLOPQRRCYHPW-OAHLLOKOSA-N 1 0 244.382 3.976 20 30 BHEDRO C[C@H]([N@H+](CCC#N)Cc1ccccc1)C(C)(C)C ZINC000346028655 354830178 /nfs/dbraw/zinc/83/01/78/354830178.db2.gz HFLKMUHVIJSQAQ-AWEZNQCLSA-N 1 0 244.382 3.837 20 30 BHEDRO C[C@@H]([N@H+](CCC#N)Cc1ccccc1)C(C)(C)C ZINC000346028664 354829972 /nfs/dbraw/zinc/82/99/72/354829972.db2.gz HFLKMUHVIJSQAQ-CQSZACIVSA-N 1 0 244.382 3.837 20 30 BHEDRO C[N@H+](CCC#N)CC1CCC(C(C)(C)C)CC1 ZINC000346136216 354870243 /nfs/dbraw/zinc/87/02/43/354870243.db2.gz HARNKOOKSDJQIZ-UHFFFAOYSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346166160 387504877 /nfs/dbraw/zinc/50/48/77/387504877.db2.gz FDABRBXMXCOFAL-GHMZBOCLSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346166162 387505230 /nfs/dbraw/zinc/50/52/30/387505230.db2.gz FDABRBXMXCOFAL-MNOVXSKESA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346166164 387504992 /nfs/dbraw/zinc/50/49/92/387504992.db2.gz FDABRBXMXCOFAL-QWRGUYRKSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(C#N)c(F)c1 ZINC000346166165 387505026 /nfs/dbraw/zinc/50/50/26/387505026.db2.gz FDABRBXMXCOFAL-WDEREUQCSA-N 1 0 246.329 3.537 20 30 BHEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCC#N)c1 ZINC000346297028 354877927 /nfs/dbraw/zinc/87/79/27/354877927.db2.gz QYEFBXGKOWTBIP-AWEZNQCLSA-N 1 0 230.355 3.600 20 30 BHEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCC#N)c1 ZINC000346297029 354877949 /nfs/dbraw/zinc/87/79/49/354877949.db2.gz QYEFBXGKOWTBIP-CQSZACIVSA-N 1 0 230.355 3.600 20 30 BHEDRO C[N@H+](C[C@H]1CC=CCC1)CC(C)(C)CCC#N ZINC000346315806 354893715 /nfs/dbraw/zinc/89/37/15/354893715.db2.gz AMVCPQAEVZTREO-AWEZNQCLSA-N 1 0 234.387 3.604 20 30 BHEDRO C[N@H+](C[C@@H]1CC=CCC1)CC(C)(C)CCC#N ZINC000346315809 354893891 /nfs/dbraw/zinc/89/38/91/354893891.db2.gz AMVCPQAEVZTREO-CQSZACIVSA-N 1 0 234.387 3.604 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000346323975 354896488 /nfs/dbraw/zinc/89/64/88/354896488.db2.gz NCGSJWYEHNXCHW-UHFFFAOYSA-N 1 0 240.350 3.551 20 30 BHEDRO C[C@H]1C[N@H+](CC(C)(C)CCC#N)CC(C)(C)C1 ZINC000346339312 386194793 /nfs/dbraw/zinc/19/47/93/386194793.db2.gz SBBIHILLRCLRRB-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)CC(C)(C)C1 ZINC000346339314 386193927 /nfs/dbraw/zinc/19/39/27/386193927.db2.gz SBBIHILLRCLRRB-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)(C)[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000346359318 354916991 /nfs/dbraw/zinc/91/69/91/354916991.db2.gz HVTLEECCJYFHPC-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)(C)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000346359321 354917022 /nfs/dbraw/zinc/91/70/22/354917022.db2.gz HVTLEECCJYFHPC-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO CCC1(CC)CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000346486503 354958610 /nfs/dbraw/zinc/95/86/10/354958610.db2.gz KXDKXYCAPYRNKT-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CCC[N@H+](CCC#N)[C@@H](CC)c1ccccc1 ZINC000346589572 354986048 /nfs/dbraw/zinc/98/60/48/354986048.db2.gz COPFHIPVNPYNQF-HNNXBMFYSA-N 1 0 230.355 3.763 20 30 BHEDRO CCC[N@H+](CCC#N)[C@H](CC)c1ccccc1 ZINC000346589588 354985582 /nfs/dbraw/zinc/98/55/82/354985582.db2.gz COPFHIPVNPYNQF-OAHLLOKOSA-N 1 0 230.355 3.763 20 30 BHEDRO CCC[N@H+](CCCC#N)[C@H]1CCc2ccccc21 ZINC000346597819 354988356 /nfs/dbraw/zinc/98/83/56/354988356.db2.gz WOWPHMOUVFJHOB-INIZCTEOSA-N 1 0 242.366 3.690 20 30 BHEDRO CCC[N@H+](CCCC#N)[C@@H]1CCc2ccccc21 ZINC000346597820 354988372 /nfs/dbraw/zinc/98/83/72/354988372.db2.gz WOWPHMOUVFJHOB-MRXNPFEDSA-N 1 0 242.366 3.690 20 30 BHEDRO Cc1cccc(C[N@@H+](CCCC#N)CC(C)C)c1 ZINC000346735250 355089676 /nfs/dbraw/zinc/08/96/76/355089676.db2.gz QSKVMCUYKQRDER-UHFFFAOYSA-N 1 0 244.382 3.757 20 30 BHEDRO CC(C)C[N@H+](CCCC#N)Cc1ccccc1F ZINC000346772672 135972735 /nfs/dbraw/zinc/97/27/35/135972735.db2.gz AFHMFXIBRWZBDN-UHFFFAOYSA-N 1 0 248.345 3.587 20 30 BHEDRO C=C(C[NH2+][C@H](C)c1cncs1)c1ccccc1 ZINC000346781210 355114902 /nfs/dbraw/zinc/11/49/02/355114902.db2.gz QAHUHFSHAGYZNQ-GFCCVEGCSA-N 1 0 244.363 3.507 20 30 BHEDRO C=C(C[NH2+][C@@H](C)c1cncs1)c1ccccc1 ZINC000346781211 355114908 /nfs/dbraw/zinc/11/49/08/355114908.db2.gz QAHUHFSHAGYZNQ-LBPRGKRZSA-N 1 0 244.363 3.507 20 30 BHEDRO CCSc1ccccc1[C@@H](C)[NH2+]CCCC#N ZINC000346791685 355106784 /nfs/dbraw/zinc/10/67/84/355106784.db2.gz JYFCHAMLNZDESG-GFCCVEGCSA-N 1 0 248.395 3.753 20 30 BHEDRO CCSc1ccccc1[C@H](C)[NH2+]CCCC#N ZINC000346791687 355106743 /nfs/dbraw/zinc/10/67/43/355106743.db2.gz JYFCHAMLNZDESG-LBPRGKRZSA-N 1 0 248.395 3.753 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1ccccc1C(C)(C)C ZINC000346806137 355110375 /nfs/dbraw/zinc/11/03/75/355110375.db2.gz JKRDRBRFSMHSEQ-CYBMUJFWSA-N 1 0 244.382 3.938 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1ccccc1C(C)(C)C ZINC000346806139 355110327 /nfs/dbraw/zinc/11/03/27/355110327.db2.gz JKRDRBRFSMHSEQ-ZDUSSCGKSA-N 1 0 244.382 3.938 20 30 BHEDRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCC#N)cc1 ZINC000346823682 355125880 /nfs/dbraw/zinc/12/58/80/355125880.db2.gz HOEKUWCEGYVPRB-CVEARBPZSA-N 1 0 242.366 3.525 20 30 BHEDRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCC#N)cc1 ZINC000346823687 355125848 /nfs/dbraw/zinc/12/58/48/355125848.db2.gz HOEKUWCEGYVPRB-HOTGVXAUSA-N 1 0 242.366 3.525 20 30 BHEDRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCCC#N)cc1 ZINC000346823691 355126157 /nfs/dbraw/zinc/12/61/57/355126157.db2.gz HOEKUWCEGYVPRB-HZPDHXFCSA-N 1 0 242.366 3.525 20 30 BHEDRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCC#N)cc1 ZINC000346823695 135975032 /nfs/dbraw/zinc/97/50/32/135975032.db2.gz HOEKUWCEGYVPRB-JKSUJKDBSA-N 1 0 242.366 3.525 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1cc2c(s1)CCCC2 ZINC000346834253 355130669 /nfs/dbraw/zinc/13/06/69/355130669.db2.gz OCQXQSSGOIQMBK-LLVKDONJSA-N 1 0 248.395 3.581 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1cc2c(s1)CCCC2 ZINC000346835005 355130799 /nfs/dbraw/zinc/13/07/99/355130799.db2.gz OCQXQSSGOIQMBK-NSHDSACASA-N 1 0 248.395 3.581 20 30 BHEDRO Cc1ccc(F)c(C[N@H+](C)CCC(C)(C)C#N)c1 ZINC000347127584 386237150 /nfs/dbraw/zinc/23/71/50/386237150.db2.gz LVHKFJCFUDSULA-UHFFFAOYSA-N 1 0 248.345 3.506 20 30 BHEDRO Cc1cc(C[N@H+](C)CCC(C)(C)C#N)ccc1F ZINC000347128167 386238234 /nfs/dbraw/zinc/23/82/34/386238234.db2.gz WLIHOCIKRNKJHC-UHFFFAOYSA-N 1 0 248.345 3.506 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000347177425 386269239 /nfs/dbraw/zinc/26/92/39/386269239.db2.gz XFVPEJWGMBBJMD-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC000347311626 387320430 /nfs/dbraw/zinc/32/04/30/387320430.db2.gz PCMGAYRYUNEEGS-HNNXBMFYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000347311627 387320650 /nfs/dbraw/zinc/32/06/50/387320650.db2.gz PCMGAYRYUNEEGS-OAHLLOKOSA-N 1 0 242.366 3.569 20 30 BHEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000347318529 387330977 /nfs/dbraw/zinc/33/09/77/387330977.db2.gz XBFGWVKBMQNIJO-HNNXBMFYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000347318536 133825667 /nfs/dbraw/zinc/82/56/67/133825667.db2.gz XBFGWVKBMQNIJO-OAHLLOKOSA-N 1 0 242.366 3.569 20 30 BHEDRO C=CCCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000347455647 386413480 /nfs/dbraw/zinc/41/34/80/386413480.db2.gz RVHBHUURFJLYSR-UHFFFAOYSA-N 1 0 221.731 3.622 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC1(C#N)CC1 ZINC000347456348 386412156 /nfs/dbraw/zinc/41/21/56/386412156.db2.gz DXAXIBVNYQTMTM-HNNXBMFYSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@H](c1ccccc1)[N@H+](CC)CC1(C#N)CC1 ZINC000347456349 386411124 /nfs/dbraw/zinc/41/11/24/386411124.db2.gz DXAXIBVNYQTMTM-OAHLLOKOSA-N 1 0 242.366 3.763 20 30 BHEDRO C=C(C)CCN1Cc2cccc(Cl)c2C1 ZINC000347463055 386414903 /nfs/dbraw/zinc/41/49/03/386414903.db2.gz VDMPPCYWLMCTEH-UHFFFAOYSA-N 1 0 221.731 3.622 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000347476924 386435673 /nfs/dbraw/zinc/43/56/73/386435673.db2.gz JRRVJBRONSZXCV-HNNXBMFYSA-N 1 0 246.398 3.725 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000347476925 386436591 /nfs/dbraw/zinc/43/65/91/386436591.db2.gz JRRVJBRONSZXCV-OAHLLOKOSA-N 1 0 246.398 3.725 20 30 BHEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CC2(C#N)CC2)c1 ZINC000347497350 386424808 /nfs/dbraw/zinc/42/48/08/386424808.db2.gz YTJFSBJFUHJLTN-AWEZNQCLSA-N 1 0 242.366 3.600 20 30 BHEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CC2(C#N)CC2)c1 ZINC000347497353 386425394 /nfs/dbraw/zinc/42/53/94/386425394.db2.gz YTJFSBJFUHJLTN-CQSZACIVSA-N 1 0 242.366 3.600 20 30 BHEDRO CC(C)C[C@@H]([NH2+]CC1(C#N)CC1)c1cccs1 ZINC000347620081 355237453 /nfs/dbraw/zinc/23/74/53/355237453.db2.gz XVVSQDZJYIDMKK-GFCCVEGCSA-N 1 0 248.395 3.729 20 30 BHEDRO CC(C)C[C@H]([NH2+]CC1(C#N)CC1)c1cccs1 ZINC000347620082 355237571 /nfs/dbraw/zinc/23/75/71/355237571.db2.gz XVVSQDZJYIDMKK-LBPRGKRZSA-N 1 0 248.395 3.729 20 30 BHEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCCC#N ZINC000347623344 355238262 /nfs/dbraw/zinc/23/82/62/355238262.db2.gz XRRPIIARVMAIRS-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCCC#N ZINC000347623345 355238242 /nfs/dbraw/zinc/23/82/42/355238242.db2.gz XRRPIIARVMAIRS-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCCC#N ZINC000347623347 355238176 /nfs/dbraw/zinc/23/81/76/355238176.db2.gz XRRPIIARVMAIRS-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCCC#N ZINC000347623348 355238089 /nfs/dbraw/zinc/23/80/89/355238089.db2.gz XRRPIIARVMAIRS-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[N@@H+](CCC#N)CCCC1CCCCC1 ZINC000347644977 136000223 /nfs/dbraw/zinc/00/02/23/136000223.db2.gz DBKFIUOUFDXORP-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccc2occc2c1 ZINC000347646275 534829879 /nfs/dbraw/zinc/82/98/79/534829879.db2.gz DWJJOSLGPHANSL-UHFFFAOYSA-N 1 0 227.307 3.607 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1)CC1(SC)CC1 ZINC000347650807 136001202 /nfs/dbraw/zinc/00/12/02/136001202.db2.gz ODOUFUUCMCRCII-UHFFFAOYSA-N 1 0 247.407 3.570 20 30 BHEDRO CC[N@H+](CCC#N)CCC1CCCCCC1 ZINC000347655826 136002022 /nfs/dbraw/zinc/00/20/22/136002022.db2.gz RGUFFLPDVJQETR-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO C[C@H](CC#N)[N@H+](C)CCCC1CCCCC1 ZINC000347768850 136008825 /nfs/dbraw/zinc/00/88/25/136008825.db2.gz HJUKXMOGLMOOHK-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@@H](CC#N)[N@H+](C)CCCC1CCCCC1 ZINC000347768852 136008935 /nfs/dbraw/zinc/00/89/35/136008935.db2.gz HJUKXMOGLMOOHK-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@H](CC#N)[N@H+](C)CCC1CCCCCC1 ZINC000347785568 136009784 /nfs/dbraw/zinc/00/97/84/136009784.db2.gz QRMFWGHOAFPUBE-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@@H](CC#N)[N@H+](C)CCC1CCCCCC1 ZINC000347785572 136009730 /nfs/dbraw/zinc/00/97/30/136009730.db2.gz QRMFWGHOAFPUBE-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C=C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347795730 136010474 /nfs/dbraw/zinc/01/04/74/136010474.db2.gz XDFZLIUEFWYWKX-UHFFFAOYSA-N 1 0 227.307 3.585 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347809615 534530054 /nfs/dbraw/zinc/53/00/54/534530054.db2.gz JAHQBCIFRCFESZ-UHFFFAOYSA-N 1 0 241.334 3.831 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc2occc2c1 ZINC000347869986 534710277 /nfs/dbraw/zinc/71/02/77/534710277.db2.gz FJBLTQDBFHRRMK-UHFFFAOYSA-N 1 0 229.323 3.831 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000348028908 534875619 /nfs/dbraw/zinc/87/56/19/534875619.db2.gz DASNIUOMPRDFJZ-INIZCTEOSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCOCCC[NH2+][C@H](CCC)c1ccccc1 ZINC000348028909 534875416 /nfs/dbraw/zinc/87/54/16/534875416.db2.gz DASNIUOMPRDFJZ-MRXNPFEDSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000348047865 534875575 /nfs/dbraw/zinc/87/55/75/534875575.db2.gz LRRWLFDNYYOXSX-INIZCTEOSA-N 1 0 247.382 3.628 20 30 BHEDRO C=CCOCCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000348047870 534875436 /nfs/dbraw/zinc/87/54/36/534875436.db2.gz LRRWLFDNYYOXSX-MRXNPFEDSA-N 1 0 247.382 3.628 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000348049027 136030470 /nfs/dbraw/zinc/03/04/70/136030470.db2.gz IAXRDCIBMXYQIX-UHFFFAOYSA-N 1 0 225.282 3.632 20 30 BHEDRO C=CC[N@@H+](Cc1cccc(C(F)F)c1)C1CC1 ZINC000348056159 136031872 /nfs/dbraw/zinc/03/18/72/136031872.db2.gz NUEMOINXERUCSY-UHFFFAOYSA-N 1 0 237.293 3.775 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000348183344 534693629 /nfs/dbraw/zinc/69/36/29/534693629.db2.gz BBAADMGMHOXYDR-INIZCTEOSA-N 1 0 244.382 3.879 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000348183345 534693811 /nfs/dbraw/zinc/69/38/11/534693811.db2.gz BBAADMGMHOXYDR-MRXNPFEDSA-N 1 0 244.382 3.879 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000348204690 136234553 /nfs/dbraw/zinc/23/45/53/136234553.db2.gz HTVQMGHAAXRVJJ-AWEZNQCLSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000348204691 534796909 /nfs/dbraw/zinc/79/69/09/534796909.db2.gz HTVQMGHAAXRVJJ-CQSZACIVSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(C)(C)CCC#N ZINC000348206480 136054211 /nfs/dbraw/zinc/05/42/11/136054211.db2.gz LUGHBDQEODZPAE-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(C)(C)CCC#N ZINC000348206487 136053990 /nfs/dbraw/zinc/05/39/90/136053990.db2.gz LUGHBDQEODZPAE-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000348206491 136054166 /nfs/dbraw/zinc/05/41/66/136054166.db2.gz LUGHBDQEODZPAE-WDNDVIMCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C1CCC2(CC2)CC1 ZINC000348206894 535005288 /nfs/dbraw/zinc/00/52/88/535005288.db2.gz MVQLSXIFZGPLJT-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000348213395 136045650 /nfs/dbraw/zinc/04/56/50/136045650.db2.gz JLIDTVKHPAYYCN-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000348213396 136045544 /nfs/dbraw/zinc/04/55/44/136045544.db2.gz JLIDTVKHPAYYCN-OLZOCXBDSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000348213397 136045606 /nfs/dbraw/zinc/04/56/06/136045606.db2.gz JLIDTVKHPAYYCN-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000348213398 535097982 /nfs/dbraw/zinc/09/79/82/535097982.db2.gz JLIDTVKHPAYYCN-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)o1 ZINC000348218230 136046558 /nfs/dbraw/zinc/04/65/58/136046558.db2.gz RFHCNDHNULRKIA-GFCCVEGCSA-N 1 0 248.370 3.823 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)o1 ZINC000348218231 136046682 /nfs/dbraw/zinc/04/66/82/136046682.db2.gz RFHCNDHNULRKIA-LBPRGKRZSA-N 1 0 248.370 3.823 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CCC#N)oc1C ZINC000348228119 136046923 /nfs/dbraw/zinc/04/69/23/136046923.db2.gz OPTBTCCEWHQUGO-GFCCVEGCSA-N 1 0 248.370 3.877 20 30 BHEDRO Cc1cc([C@H](C)[NH2+]CC(C)(C)CCC#N)oc1C ZINC000348228121 136046903 /nfs/dbraw/zinc/04/69/03/136046903.db2.gz OPTBTCCEWHQUGO-LBPRGKRZSA-N 1 0 248.370 3.877 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC12CCCC2 ZINC000348239685 535006670 /nfs/dbraw/zinc/00/66/70/535006670.db2.gz BRNYXLQXSLNOFF-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC12CCCC2 ZINC000348239691 535006985 /nfs/dbraw/zinc/00/69/85/535006985.db2.gz BRNYXLQXSLNOFF-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000348244225 136056206 /nfs/dbraw/zinc/05/62/06/136056206.db2.gz NAWVPCAEVDVECA-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000348244229 136056336 /nfs/dbraw/zinc/05/63/36/136056336.db2.gz NAWVPCAEVDVECA-OLZOCXBDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000348244235 136056269 /nfs/dbraw/zinc/05/62/69/136056269.db2.gz NAWVPCAEVDVECA-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000348244240 136056380 /nfs/dbraw/zinc/05/63/80/136056380.db2.gz NAWVPCAEVDVECA-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CC1CCCC1)[NH2+]CC(C)(C)CCC#N ZINC000348246989 136056881 /nfs/dbraw/zinc/05/68/81/136056881.db2.gz SOKPJGOUAIZKEL-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H](CC1CCCC1)[NH2+]CC(C)(C)CCC#N ZINC000348246996 136056738 /nfs/dbraw/zinc/05/67/38/136056738.db2.gz SOKPJGOUAIZKEL-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CC[N@H+](Cc1ccc2occc2c1)C1CC1 ZINC000348263770 136058085 /nfs/dbraw/zinc/05/80/85/136058085.db2.gz VGVGHXQHHJTCGJ-UHFFFAOYSA-N 1 0 227.307 3.583 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(C#N)cc1 ZINC000348270680 136058783 /nfs/dbraw/zinc/05/87/83/136058783.db2.gz GXPLQOGNSUIBAA-CABCVRRESA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(C#N)cc1 ZINC000348270689 136058855 /nfs/dbraw/zinc/05/88/55/136058855.db2.gz GXPLQOGNSUIBAA-GJZGRUSLSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(C#N)cc1 ZINC000348270691 535808173 /nfs/dbraw/zinc/80/81/73/535808173.db2.gz GXPLQOGNSUIBAA-HUUCEWRRSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(C#N)cc1 ZINC000348270693 535932701 /nfs/dbraw/zinc/93/27/01/535932701.db2.gz GXPLQOGNSUIBAA-LSDHHAIUSA-N 1 0 242.366 3.788 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000348304693 136065555 /nfs/dbraw/zinc/06/55/55/136065555.db2.gz ICLVCTWNMYAELT-INIZCTEOSA-N 1 0 247.382 3.710 20 30 BHEDRO C=C(C)C[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000348304695 136065413 /nfs/dbraw/zinc/06/54/13/136065413.db2.gz ICLVCTWNMYAELT-MRXNPFEDSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccco1 ZINC000348317171 136068504 /nfs/dbraw/zinc/06/85/04/136068504.db2.gz JARSHAOAZTWRRP-AGIUHOORSA-N 1 0 237.318 3.767 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccco1 ZINC000348317172 136068657 /nfs/dbraw/zinc/06/86/57/136068657.db2.gz JARSHAOAZTWRRP-AVGNSLFASA-N 1 0 237.318 3.767 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccco1 ZINC000348317174 136068819 /nfs/dbraw/zinc/06/88/19/136068819.db2.gz JARSHAOAZTWRRP-UPJWGTAASA-N 1 0 237.318 3.767 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccco1 ZINC000348317175 136068626 /nfs/dbraw/zinc/06/86/26/136068626.db2.gz JARSHAOAZTWRRP-XQQFMLRXSA-N 1 0 237.318 3.767 20 30 BHEDRO N#CCC1(C[NH2+]CCCC2CCCCC2)CC1 ZINC000348348578 136071701 /nfs/dbraw/zinc/07/17/01/136071701.db2.gz ATPIDNVQUFRMKM-UHFFFAOYSA-N 1 0 234.387 3.630 20 30 BHEDRO N#CCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC000348388132 136079279 /nfs/dbraw/zinc/07/92/79/136079279.db2.gz NDRUMCQXFMPXHM-UHFFFAOYSA-N 1 0 234.387 3.630 20 30 BHEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1F ZINC000348409846 535897616 /nfs/dbraw/zinc/89/76/16/535897616.db2.gz UQAVUIBKXLEMTN-AWEZNQCLSA-N 1 0 246.329 3.560 20 30 BHEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1F ZINC000348409847 535803076 /nfs/dbraw/zinc/80/30/76/535803076.db2.gz UQAVUIBKXLEMTN-CQSZACIVSA-N 1 0 246.329 3.560 20 30 BHEDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000348414393 535823838 /nfs/dbraw/zinc/82/38/38/535823838.db2.gz ROCXZUQSMMOFAH-BMFZPTHFSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@@H]1CC[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000348414397 535824951 /nfs/dbraw/zinc/82/49/51/535824951.db2.gz ROCXZUQSMMOFAH-FVQBIDKESA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000348414400 535823716 /nfs/dbraw/zinc/82/37/16/535823716.db2.gz ROCXZUQSMMOFAH-KBMXLJTQSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000348414404 136077744 /nfs/dbraw/zinc/07/77/44/136077744.db2.gz ROCXZUQSMMOFAH-VNQPRFMTSA-N 1 0 242.366 3.810 20 30 BHEDRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000349322034 136341177 /nfs/dbraw/zinc/34/11/77/136341177.db2.gz LKDSQNQXFZVZEC-BMFZPTHFSA-N 1 0 242.366 3.810 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000349322042 136341353 /nfs/dbraw/zinc/34/13/53/136341353.db2.gz LKDSQNQXFZVZEC-BPUTZDHNSA-N 1 0 242.366 3.810 20 30 BHEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000349322043 136341324 /nfs/dbraw/zinc/34/13/24/136341324.db2.gz LKDSQNQXFZVZEC-IMJJTQAJSA-N 1 0 242.366 3.810 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000349322044 136341108 /nfs/dbraw/zinc/34/11/08/136341108.db2.gz LKDSQNQXFZVZEC-KBMXLJTQSA-N 1 0 242.366 3.810 20 30 BHEDRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCC#N ZINC000349326088 136341540 /nfs/dbraw/zinc/34/15/40/136341540.db2.gz SQNDVDQQOBYRGJ-HNNXBMFYSA-N 1 0 242.366 3.574 20 30 BHEDRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCC#N ZINC000349326094 136341672 /nfs/dbraw/zinc/34/16/72/136341672.db2.gz SQNDVDQQOBYRGJ-OAHLLOKOSA-N 1 0 242.366 3.574 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000349344687 534693712 /nfs/dbraw/zinc/69/37/12/534693712.db2.gz TUJOVVJSKAPMLR-HNNXBMFYSA-N 1 0 245.366 3.846 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000349344688 534694971 /nfs/dbraw/zinc/69/49/71/534694971.db2.gz TUJOVVJSKAPMLR-OAHLLOKOSA-N 1 0 245.366 3.846 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000349354191 534694252 /nfs/dbraw/zinc/69/42/52/534694252.db2.gz KVHWYIKFBNYOPJ-HNNXBMFYSA-N 1 0 232.371 3.869 20 30 BHEDRO C=CCCCC[NH2+][C@H](CCC)c1cccnc1 ZINC000349354192 534694559 /nfs/dbraw/zinc/69/45/59/534694559.db2.gz KVHWYIKFBNYOPJ-OAHLLOKOSA-N 1 0 232.371 3.869 20 30 BHEDRO C=CCCCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000349421437 366192266 /nfs/dbraw/zinc/19/22/66/366192266.db2.gz HLDUJVBMZWQBJV-HNNXBMFYSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCCCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000349421439 366191819 /nfs/dbraw/zinc/19/18/19/366191819.db2.gz HLDUJVBMZWQBJV-OAHLLOKOSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000349444001 136351946 /nfs/dbraw/zinc/35/19/46/136351946.db2.gz BOWYNBKXUOHTNP-CYBMUJFWSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000349444005 136351967 /nfs/dbraw/zinc/35/19/67/136351967.db2.gz BOWYNBKXUOHTNP-ZDUSSCGKSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000349506029 386856797 /nfs/dbraw/zinc/85/67/97/386856797.db2.gz USVXNVIOAJOZNT-ABAIWWIYSA-N 1 0 233.355 3.983 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000349506031 133888399 /nfs/dbraw/zinc/88/83/99/133888399.db2.gz USVXNVIOAJOZNT-IAQYHMDHSA-N 1 0 233.355 3.983 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000349506036 386855879 /nfs/dbraw/zinc/85/58/79/386855879.db2.gz USVXNVIOAJOZNT-NHYWBVRUSA-N 1 0 233.355 3.983 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000349506038 133888343 /nfs/dbraw/zinc/88/83/43/133888343.db2.gz USVXNVIOAJOZNT-XHDPSFHLSA-N 1 0 233.355 3.983 20 30 BHEDRO CCC1CCC([N@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000349679777 355409774 /nfs/dbraw/zinc/40/97/74/355409774.db2.gz NTISCGMRJCHNAL-UHFFFAOYSA-N 1 0 246.354 3.552 20 30 BHEDRO Cc1ccc([C@@H]([NH2+]CCCC#N)C2CCCC2)o1 ZINC000349720036 355418547 /nfs/dbraw/zinc/41/85/47/355418547.db2.gz IEXOJZCTBPFWLV-HNNXBMFYSA-N 1 0 246.354 3.713 20 30 BHEDRO Cc1ccc([C@H]([NH2+]CCCC#N)C2CCCC2)o1 ZINC000349720037 355418530 /nfs/dbraw/zinc/41/85/30/355418530.db2.gz IEXOJZCTBPFWLV-OAHLLOKOSA-N 1 0 246.354 3.713 20 30 BHEDRO C=CC[N@@H+](Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000350216992 355650847 /nfs/dbraw/zinc/65/08/47/355650847.db2.gz BFFSNQYWAXUCSX-UHFFFAOYSA-N 1 0 245.297 3.722 20 30 BHEDRO C=CC[N@H+](Cc1coc2ccccc12)C1CC1 ZINC000350269216 136357463 /nfs/dbraw/zinc/35/74/63/136357463.db2.gz RGMTWTIXWPLNLF-UHFFFAOYSA-N 1 0 227.307 3.583 20 30 BHEDRO C=CC[N@@H+](Cc1c(C)oc2ccccc21)C1CC1 ZINC000350312235 355668081 /nfs/dbraw/zinc/66/80/81/355668081.db2.gz ASGMLYKKKSJXKG-UHFFFAOYSA-N 1 0 241.334 3.892 20 30 BHEDRO CC(C)(C)C[N@H+](CCCC#N)Cc1ccccc1 ZINC000350698222 355743011 /nfs/dbraw/zinc/74/30/11/355743011.db2.gz AUWTVYYQUTVKMI-UHFFFAOYSA-N 1 0 244.382 3.838 20 30 BHEDRO CCCC1CCC([N@H+](CCC#N)C(C)C)CC1 ZINC000350750839 136362952 /nfs/dbraw/zinc/36/29/52/136362952.db2.gz ZLNOYGJCMHKFOK-UHFFFAOYSA-N 1 0 236.403 3.969 20 30 BHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000350948971 358146617 /nfs/dbraw/zinc/14/66/17/358146617.db2.gz JPUFWQJMYHJQIX-KRWDZBQOSA-N 1 0 248.329 3.505 20 30 BHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000350948972 358146492 /nfs/dbraw/zinc/14/64/92/358146492.db2.gz JPUFWQJMYHJQIX-QGZVFWFLSA-N 1 0 248.329 3.505 20 30 BHEDRO C=CCOc1cccc(C[N@@H+](C(C)C)C2CC2)c1 ZINC000351003673 136366724 /nfs/dbraw/zinc/36/67/24/136366724.db2.gz VFCKBPCKGOISPP-UHFFFAOYSA-N 1 0 245.366 3.624 20 30 BHEDRO C=CCOc1ccc(C[N@@H+](C(C)C)C2CC2)cc1 ZINC000351080176 355945821 /nfs/dbraw/zinc/94/58/21/355945821.db2.gz TYUOKEZKFHGVEQ-UHFFFAOYSA-N 1 0 245.366 3.624 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000351267406 355969759 /nfs/dbraw/zinc/96/97/59/355969759.db2.gz GSZXOSLBWNYDGL-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000351267407 355969318 /nfs/dbraw/zinc/96/93/18/355969318.db2.gz GSZXOSLBWNYDGL-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000351267408 355969352 /nfs/dbraw/zinc/96/93/52/355969352.db2.gz GSZXOSLBWNYDGL-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000351267409 355969643 /nfs/dbraw/zinc/96/96/43/355969643.db2.gz GSZXOSLBWNYDGL-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H](CCC#N)[NH+]1CCC2(CCCCC2)CC1 ZINC000351267965 355969927 /nfs/dbraw/zinc/96/99/27/355969927.db2.gz JHPBFTWTEAKENT-AWEZNQCLSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@H](CCC#N)[NH+]1CCC2(CCCCC2)CC1 ZINC000351267972 355969650 /nfs/dbraw/zinc/96/96/50/355969650.db2.gz JHPBFTWTEAKENT-CQSZACIVSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000351495255 356002694 /nfs/dbraw/zinc/00/26/94/356002694.db2.gz SMFGCBQPBZZCNN-CABCVRRESA-N 1 0 232.371 3.501 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000351495257 356002317 /nfs/dbraw/zinc/00/23/17/356002317.db2.gz SMFGCBQPBZZCNN-GJZGRUSLSA-N 1 0 232.371 3.501 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000351495258 356002389 /nfs/dbraw/zinc/00/23/89/356002389.db2.gz SMFGCBQPBZZCNN-HUUCEWRRSA-N 1 0 232.371 3.501 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000351495259 356002253 /nfs/dbraw/zinc/00/22/53/356002253.db2.gz SMFGCBQPBZZCNN-LSDHHAIUSA-N 1 0 232.371 3.501 20 30 BHEDRO C=CC[N@H+](Cc1ccsc1)Cc1ccccc1 ZINC000351590080 356023744 /nfs/dbraw/zinc/02/37/44/356023744.db2.gz QFSYIHLOMZEHNF-UHFFFAOYSA-N 1 0 243.375 3.936 20 30 BHEDRO C=CC[N@@H+](Cc1conc1C)CC1CCCCC1 ZINC000351590787 356023910 /nfs/dbraw/zinc/02/39/10/356023910.db2.gz YWGYMHSLCJIQQJ-UHFFFAOYSA-N 1 0 248.370 3.551 20 30 BHEDRO C=CC[N@@H+](Cc1occc1C)Cc1ccccc1 ZINC000351592733 356024949 /nfs/dbraw/zinc/02/49/49/356024949.db2.gz AWOXXUGXFSCPLT-UHFFFAOYSA-N 1 0 241.334 3.776 20 30 BHEDRO C[C@@H](CCC#N)[NH+]1CCC(c2ccccc2)CC1 ZINC000351594013 356024928 /nfs/dbraw/zinc/02/49/28/356024928.db2.gz FWMYCGFLQAEDNR-AWEZNQCLSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@H](CCC#N)[NH+]1CCC(c2ccccc2)CC1 ZINC000351594016 356025311 /nfs/dbraw/zinc/02/53/11/356025311.db2.gz FWMYCGFLQAEDNR-CQSZACIVSA-N 1 0 242.366 3.558 20 30 BHEDRO CCC[N@H+](CC(C)C)CC(C)(C)CCC#N ZINC000351606659 136370089 /nfs/dbraw/zinc/37/00/89/136370089.db2.gz FYJKRBXWYAITHK-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO CC[N@H+](Cc1ccccc1C)[C@@H](C)CCC#N ZINC000351615218 356029300 /nfs/dbraw/zinc/02/93/00/356029300.db2.gz LJZYFLCZIGYXGH-AWEZNQCLSA-N 1 0 230.355 3.509 20 30 BHEDRO CC[N@H+](Cc1ccccc1C)[C@H](C)CCC#N ZINC000351615219 356030160 /nfs/dbraw/zinc/03/01/60/356030160.db2.gz LJZYFLCZIGYXGH-CQSZACIVSA-N 1 0 230.355 3.509 20 30 BHEDRO C[C@@H](CCC#N)[N@H+](C)CCCCc1ccccc1 ZINC000351648818 356044542 /nfs/dbraw/zinc/04/45/42/356044542.db2.gz UTRPHKPYIFRETJ-HNNXBMFYSA-N 1 0 244.382 3.633 20 30 BHEDRO C[C@H](CCC#N)[N@H+](C)CCCCc1ccccc1 ZINC000351648821 356043996 /nfs/dbraw/zinc/04/39/96/356043996.db2.gz UTRPHKPYIFRETJ-OAHLLOKOSA-N 1 0 244.382 3.633 20 30 BHEDRO C=C(C)CC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000351717032 356068640 /nfs/dbraw/zinc/06/86/40/356068640.db2.gz CUTCRGZKDRNRJL-GFCCVEGCSA-N 1 0 219.328 3.771 20 30 BHEDRO C=C(C)CC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000351717034 356068244 /nfs/dbraw/zinc/06/82/44/356068244.db2.gz CUTCRGZKDRNRJL-LBPRGKRZSA-N 1 0 219.328 3.771 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccccc1OC ZINC000351723616 134611664 /nfs/dbraw/zinc/61/16/64/134611664.db2.gz ZTMLPZDAEWWNJV-AWEZNQCLSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccccc1OC ZINC000351723617 134611759 /nfs/dbraw/zinc/61/17/59/134611759.db2.gz ZTMLPZDAEWWNJV-CQSZACIVSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000351732909 366540126 /nfs/dbraw/zinc/54/01/26/366540126.db2.gz VTNWBNLQOSZOQG-HNNXBMFYSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000351732910 366540430 /nfs/dbraw/zinc/54/04/30/366540430.db2.gz VTNWBNLQOSZOQG-OAHLLOKOSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000351752093 136251451 /nfs/dbraw/zinc/25/14/51/136251451.db2.gz MRFJJGUEHGDOLQ-AWEZNQCLSA-N 1 0 239.309 3.972 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000351752094 136251357 /nfs/dbraw/zinc/25/13/57/136251357.db2.gz MRFJJGUEHGDOLQ-CQSZACIVSA-N 1 0 239.309 3.972 20 30 BHEDRO C=C(C)CC[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000351753481 136251086 /nfs/dbraw/zinc/25/10/86/136251086.db2.gz VYRAWVADVUKSGT-UHFFFAOYSA-N 1 0 244.382 3.536 20 30 BHEDRO C=C(C)CC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000351754158 136251888 /nfs/dbraw/zinc/25/18/88/136251888.db2.gz ZIRYOCJDMYRCGV-GFCCVEGCSA-N 1 0 201.313 3.529 20 30 BHEDRO C=C(C)CC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000351754159 136252113 /nfs/dbraw/zinc/25/21/13/136252113.db2.gz ZIRYOCJDMYRCGV-LBPRGKRZSA-N 1 0 201.313 3.529 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000351761103 134611737 /nfs/dbraw/zinc/61/17/37/134611737.db2.gz WOHFSQKQWNEIEU-AWEZNQCLSA-N 1 0 248.326 3.602 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000351761104 366542126 /nfs/dbraw/zinc/54/21/26/366542126.db2.gz WOHFSQKQWNEIEU-CQSZACIVSA-N 1 0 248.326 3.602 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000351762445 136253051 /nfs/dbraw/zinc/25/30/51/136253051.db2.gz YXDNHEIOXDDHHQ-AWEZNQCLSA-N 1 0 239.309 3.972 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000351762447 136252914 /nfs/dbraw/zinc/25/29/14/136252914.db2.gz YXDNHEIOXDDHHQ-CQSZACIVSA-N 1 0 239.309 3.972 20 30 BHEDRO C=C(C)CC[NH+]1CCC(c2ccsc2)CC1 ZINC000351813634 136254881 /nfs/dbraw/zinc/25/48/81/136254881.db2.gz HFIDTRFQRJOVNA-UHFFFAOYSA-N 1 0 235.396 3.894 20 30 BHEDRO C=C(C)CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000351815043 136255132 /nfs/dbraw/zinc/25/51/32/136255132.db2.gz LQHZOMKBXLUOJT-UHFFFAOYSA-N 1 0 227.351 3.500 20 30 BHEDRO CCC[N@H+](CC[C@@H](C)F)Cc1ccc(C#N)cc1 ZINC000351842931 358223587 /nfs/dbraw/zinc/22/35/87/358223587.db2.gz BCUBYYMVSJMTRX-CYBMUJFWSA-N 1 0 248.345 3.518 20 30 BHEDRO CCC[N@H+](CC[C@H](C)F)Cc1ccc(C#N)cc1 ZINC000351842937 358223521 /nfs/dbraw/zinc/22/35/21/358223521.db2.gz BCUBYYMVSJMTRX-ZDUSSCGKSA-N 1 0 248.345 3.518 20 30 BHEDRO CC[N@H+](CC[C@@H](C)F)[C@H](C)c1ccc(C#N)cc1 ZINC000351843826 136256562 /nfs/dbraw/zinc/25/65/62/136256562.db2.gz IROYQYILMSHRTL-CHWSQXEVSA-N 1 0 248.345 3.689 20 30 BHEDRO CC[N@H+](CC[C@@H](C)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000351843827 136256824 /nfs/dbraw/zinc/25/68/24/136256824.db2.gz IROYQYILMSHRTL-OLZOCXBDSA-N 1 0 248.345 3.689 20 30 BHEDRO CC[N@H+](CC[C@H](C)F)[C@H](C)c1ccc(C#N)cc1 ZINC000351843828 136256665 /nfs/dbraw/zinc/25/66/65/136256665.db2.gz IROYQYILMSHRTL-QWHCGFSZSA-N 1 0 248.345 3.689 20 30 BHEDRO CC[N@H+](CC[C@H](C)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000351843829 136256579 /nfs/dbraw/zinc/25/65/79/136256579.db2.gz IROYQYILMSHRTL-STQMWFEESA-N 1 0 248.345 3.689 20 30 BHEDRO C=CC[N@@H+](CCCCF)Cc1ccccc1F ZINC000351844417 136256221 /nfs/dbraw/zinc/25/62/21/136256221.db2.gz KNJOAEQBWPIWLX-UHFFFAOYSA-N 1 0 239.309 3.563 20 30 BHEDRO CC(C)[N@H+](CC[C@@H](C)F)Cc1ccc(C#N)cc1 ZINC000351844591 535074115 /nfs/dbraw/zinc/07/41/15/535074115.db2.gz LWXTWSHJLLDJDQ-CYBMUJFWSA-N 1 0 248.345 3.517 20 30 BHEDRO CC(C)[N@H+](CC[C@H](C)F)Cc1ccc(C#N)cc1 ZINC000351844594 535074170 /nfs/dbraw/zinc/07/41/70/535074170.db2.gz LWXTWSHJLLDJDQ-ZDUSSCGKSA-N 1 0 248.345 3.517 20 30 BHEDRO C=CC[N@@H+](CC[C@@H](C)F)Cc1ccccc1F ZINC000351846049 136257429 /nfs/dbraw/zinc/25/74/29/136257429.db2.gz ZGFPIVPRMVOVGJ-GFCCVEGCSA-N 1 0 239.309 3.562 20 30 BHEDRO C=CC[N@@H+](CC[C@H](C)F)Cc1ccccc1F ZINC000351846050 136257425 /nfs/dbraw/zinc/25/74/25/136257425.db2.gz ZGFPIVPRMVOVGJ-LBPRGKRZSA-N 1 0 239.309 3.562 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000351860844 356097881 /nfs/dbraw/zinc/09/78/81/356097881.db2.gz QOLKZFKTLCHKFX-CYBMUJFWSA-N 1 0 221.369 3.851 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000351860845 356098636 /nfs/dbraw/zinc/09/86/36/356098636.db2.gz QOLKZFKTLCHKFX-ZDUSSCGKSA-N 1 0 221.369 3.851 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cccc(C)n1 ZINC000351883534 356129101 /nfs/dbraw/zinc/12/91/01/356129101.db2.gz ACUSAMMCCLBGHA-UHFFFAOYSA-N 1 0 232.371 3.568 20 30 BHEDRO C=C(C)CC[N@@H+](CCC#N)CC(CC)CC ZINC000352029408 134045125 /nfs/dbraw/zinc/04/51/25/134045125.db2.gz RIBGORVSVGRWFG-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000352043593 533484284 /nfs/dbraw/zinc/48/42/84/533484284.db2.gz GCOUMUILBHJENF-CHWSQXEVSA-N 1 0 227.417 3.559 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000352043594 533486027 /nfs/dbraw/zinc/48/60/27/533486027.db2.gz GCOUMUILBHJENF-OLZOCXBDSA-N 1 0 227.417 3.559 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000352043595 134045381 /nfs/dbraw/zinc/04/53/81/134045381.db2.gz GCOUMUILBHJENF-QWHCGFSZSA-N 1 0 227.417 3.559 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000352043596 134045628 /nfs/dbraw/zinc/04/56/28/134045628.db2.gz GCOUMUILBHJENF-STQMWFEESA-N 1 0 227.417 3.559 20 30 BHEDRO C=C(C)CC[N@@H+](CC)Cc1cccs1 ZINC000352091301 134061644 /nfs/dbraw/zinc/06/16/44/134061644.db2.gz IWHBQUCZRNOMFG-UHFFFAOYSA-N 1 0 209.358 3.536 20 30 BHEDRO C=C(C)CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000352102300 134067802 /nfs/dbraw/zinc/06/78/02/134067802.db2.gz LGCKIQCGKXXMRY-UHFFFAOYSA-N 1 0 245.322 3.841 20 30 BHEDRO C=C(C)CC[N@H+](Cc1cccs1)C1CC1 ZINC000352112215 134068618 /nfs/dbraw/zinc/06/86/18/134068618.db2.gz AVVWPNGVKXUWEO-UHFFFAOYSA-N 1 0 221.369 3.679 20 30 BHEDRO C=C(C)CC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000352131767 134080300 /nfs/dbraw/zinc/08/03/00/134080300.db2.gz VYIHZYRNWQPUCO-UHFFFAOYSA-N 1 0 246.398 3.708 20 30 BHEDRO C=CCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000352241351 534773759 /nfs/dbraw/zinc/77/37/59/534773759.db2.gz KSOBXMLXEMTZHT-UHFFFAOYSA-N 1 0 219.328 3.600 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000352246858 534773516 /nfs/dbraw/zinc/77/35/16/534773516.db2.gz JWCZSWJYYHFHJG-DOMZBBRYSA-N 1 0 245.366 3.944 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000352246859 534774954 /nfs/dbraw/zinc/77/49/54/534774954.db2.gz JWCZSWJYYHFHJG-IUODEOHRSA-N 1 0 245.366 3.944 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000352246860 534773916 /nfs/dbraw/zinc/77/39/16/534773916.db2.gz JWCZSWJYYHFHJG-SWLSCSKDSA-N 1 0 245.366 3.944 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000352246861 534773700 /nfs/dbraw/zinc/77/37/00/534773700.db2.gz JWCZSWJYYHFHJG-WFASDCNBSA-N 1 0 245.366 3.944 20 30 BHEDRO C=CCC[N@H+](Cc1ccc(C)s1)C(C)C ZINC000352255465 534774316 /nfs/dbraw/zinc/77/43/16/534774316.db2.gz GMAHNRVGGMZWAQ-UHFFFAOYSA-N 1 0 223.385 3.843 20 30 BHEDRO C=CCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000352257471 534774208 /nfs/dbraw/zinc/77/42/08/534774208.db2.gz PACNZCUPQUDLSV-UHFFFAOYSA-N 1 0 241.334 3.858 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCCC2(CC2)C1 ZINC000352279842 134129492 /nfs/dbraw/zinc/12/94/92/134129492.db2.gz MJOGWTKXIOECSX-CYBMUJFWSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCCC2(CC2)C1 ZINC000352279843 134129862 /nfs/dbraw/zinc/12/98/62/134129862.db2.gz MJOGWTKXIOECSX-ZDUSSCGKSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2cc(C)no2)CCCC1(C)C ZINC000352369926 534324116 /nfs/dbraw/zinc/32/41/16/534324116.db2.gz UHQIAQKUCVOILU-AWEZNQCLSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2cc(C)no2)CCCC1(C)C ZINC000352369927 134141710 /nfs/dbraw/zinc/14/17/10/134141710.db2.gz UHQIAQKUCVOILU-CQSZACIVSA-N 1 0 248.370 3.550 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000352405697 533484125 /nfs/dbraw/zinc/48/41/25/533484125.db2.gz IXRSGKXNOOKHNB-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CC[N@H+](CCc1ccco1)Cc1ccccc1 ZINC000352699718 134151115 /nfs/dbraw/zinc/15/11/15/134151115.db2.gz CXEWZWGDNTXXPB-UHFFFAOYSA-N 1 0 241.334 3.510 20 30 BHEDRO CC(C)C1CCC(C[NH2+]CC2(CC#N)CC2)CC1 ZINC000352703353 134151024 /nfs/dbraw/zinc/15/10/24/134151024.db2.gz CIRHNCISRDFTMV-UHFFFAOYSA-N 1 0 248.414 3.732 20 30 BHEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccco1 ZINC000352756627 134151827 /nfs/dbraw/zinc/15/18/27/134151827.db2.gz BXKQIFGCHOVSBJ-UHFFFAOYSA-N 1 0 241.334 3.510 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)C(C)C ZINC000352804452 169904676 /nfs/dbraw/zinc/90/46/76/169904676.db2.gz QEGDATFRBBBIRU-GFCCVEGCSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)C(C)C ZINC000352804465 358425931 /nfs/dbraw/zinc/42/59/31/358425931.db2.gz QEGDATFRBBBIRU-LBPRGKRZSA-N 1 0 248.345 3.564 20 30 BHEDRO N#CCCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352835008 134154314 /nfs/dbraw/zinc/15/43/14/134154314.db2.gz NIOPRGIZKMSMDT-UHFFFAOYSA-N 1 0 234.387 3.773 20 30 BHEDRO C[C@H](c1ccccc1)N(CC1(C#N)CC1)C1CC1 ZINC000352835607 134154104 /nfs/dbraw/zinc/15/41/04/134154104.db2.gz YKMNGIFGBKXYKJ-CYBMUJFWSA-N 1 0 240.350 3.516 20 30 BHEDRO C[C@@H](c1ccccc1)N(CC1(C#N)CC1)C1CC1 ZINC000352835608 134154200 /nfs/dbraw/zinc/15/42/00/134154200.db2.gz YKMNGIFGBKXYKJ-ZDUSSCGKSA-N 1 0 240.350 3.516 20 30 BHEDRO N#CCC1(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352867731 134154933 /nfs/dbraw/zinc/15/49/33/134154933.db2.gz AVIRJNKHFOZVIO-UHFFFAOYSA-N 1 0 246.398 3.773 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000352897545 134158347 /nfs/dbraw/zinc/15/83/47/134158347.db2.gz PROHRHRUCKFUCQ-DZGCQCFKSA-N 1 0 248.414 3.898 20 30 BHEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000352897546 134158124 /nfs/dbraw/zinc/15/81/24/134158124.db2.gz PROHRHRUCKFUCQ-HIFRSBDPSA-N 1 0 248.414 3.898 20 30 BHEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000352897547 134158247 /nfs/dbraw/zinc/15/82/47/134158247.db2.gz PROHRHRUCKFUCQ-UKRRQHHQSA-N 1 0 248.414 3.898 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000352897548 535250181 /nfs/dbraw/zinc/25/01/81/535250181.db2.gz PROHRHRUCKFUCQ-ZFWWWQNUSA-N 1 0 248.414 3.898 20 30 BHEDRO C=C(C)C[N@@H+](CCCC)Cc1cnn(C(C)C)c1 ZINC000352898637 134158233 /nfs/dbraw/zinc/15/82/33/134158233.db2.gz ALMZAIYUIBQFBF-UHFFFAOYSA-N 1 0 249.402 3.642 20 30 BHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)CC ZINC000352899295 134158189 /nfs/dbraw/zinc/15/81/89/134158189.db2.gz CEQKRMGFYNVQCT-AWEZNQCLSA-N 1 0 249.402 3.641 20 30 BHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)CC ZINC000352899302 134158181 /nfs/dbraw/zinc/15/81/81/134158181.db2.gz CEQKRMGFYNVQCT-CQSZACIVSA-N 1 0 249.402 3.641 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000352930854 134158502 /nfs/dbraw/zinc/15/85/02/134158502.db2.gz UQBYTKAVVUSIJS-CHWSQXEVSA-N 1 0 249.402 3.514 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC000352930855 534696294 /nfs/dbraw/zinc/69/62/94/534696294.db2.gz UQBYTKAVVUSIJS-OLZOCXBDSA-N 1 0 249.402 3.514 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000352930856 134158434 /nfs/dbraw/zinc/15/84/34/134158434.db2.gz UQBYTKAVVUSIJS-QWHCGFSZSA-N 1 0 249.402 3.514 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC000352930857 134158548 /nfs/dbraw/zinc/15/85/48/134158548.db2.gz UQBYTKAVVUSIJS-STQMWFEESA-N 1 0 249.402 3.514 20 30 BHEDRO C=CC[N@H+](CCc1ccco1)Cc1cccs1 ZINC000352973834 134158935 /nfs/dbraw/zinc/15/89/35/134158935.db2.gz DGUVGSAOJHGEPB-UHFFFAOYSA-N 1 0 247.363 3.572 20 30 BHEDRO C=CC[N@H+](CCc1ccco1)Cc1ccsc1 ZINC000352973856 134159011 /nfs/dbraw/zinc/15/90/11/134159011.db2.gz DHSDPDOQPYUXIX-UHFFFAOYSA-N 1 0 247.363 3.572 20 30 BHEDRO CCC1(C)CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000353120147 387676735 /nfs/dbraw/zinc/67/67/35/387676735.db2.gz AFOGNWMBWIEMKA-UHFFFAOYSA-N 1 0 248.395 3.632 20 30 BHEDRO CCC1(C)CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000353131353 134162033 /nfs/dbraw/zinc/16/20/33/134162033.db2.gz YXEHFVLHRYUAAU-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000353160997 135147984 /nfs/dbraw/zinc/14/79/84/135147984.db2.gz ANFQKMAIVAKQDR-UHFFFAOYSA-N 1 0 233.286 3.580 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1c(C)oc2ccccc21 ZINC000353161161 135148387 /nfs/dbraw/zinc/14/83/87/135148387.db2.gz BJHILTGIHPOHJV-UHFFFAOYSA-N 1 0 229.323 3.749 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353193819 134162270 /nfs/dbraw/zinc/16/22/70/134162270.db2.gz BXFKJQZVRKXDNG-NEPJUHHUSA-N 1 0 243.354 3.568 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353193820 134162224 /nfs/dbraw/zinc/16/22/24/134162224.db2.gz BXFKJQZVRKXDNG-NWDGAFQWSA-N 1 0 243.354 3.568 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353193821 134162409 /nfs/dbraw/zinc/16/24/09/134162409.db2.gz BXFKJQZVRKXDNG-RYUDHWBXSA-N 1 0 243.354 3.568 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353193822 134162338 /nfs/dbraw/zinc/16/23/38/134162338.db2.gz BXFKJQZVRKXDNG-VXGBXAGGSA-N 1 0 243.354 3.568 20 30 BHEDRO C[N@H+](CCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000353229995 386652632 /nfs/dbraw/zinc/65/26/32/386652632.db2.gz MRSXMFAUPWCNEB-CVEARBPZSA-N 1 0 242.366 3.558 20 30 BHEDRO C[N@H+](CCC#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000353229996 386652903 /nfs/dbraw/zinc/65/29/03/386652903.db2.gz MRSXMFAUPWCNEB-HOTGVXAUSA-N 1 0 242.366 3.558 20 30 BHEDRO C[N@H+](CCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000353229997 386651768 /nfs/dbraw/zinc/65/17/68/386651768.db2.gz MRSXMFAUPWCNEB-HZPDHXFCSA-N 1 0 242.366 3.558 20 30 BHEDRO C[N@H+](CCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000353229998 386651485 /nfs/dbraw/zinc/65/14/85/386651485.db2.gz MRSXMFAUPWCNEB-JKSUJKDBSA-N 1 0 242.366 3.558 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccsc1C ZINC000353239646 534697285 /nfs/dbraw/zinc/69/72/85/534697285.db2.gz ZTVRBQZLDIOPCP-ZDUSSCGKSA-N 1 0 221.369 3.597 20 30 BHEDRO C=C1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000353285399 134163100 /nfs/dbraw/zinc/16/31/00/134163100.db2.gz HLINVYXBVMIYGV-GXTWGEPZSA-N 1 0 231.339 3.555 20 30 BHEDRO C=C1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000353285400 134163180 /nfs/dbraw/zinc/16/31/80/134163180.db2.gz HLINVYXBVMIYGV-JSGCOSHPSA-N 1 0 231.339 3.555 20 30 BHEDRO C=C1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000353285401 134163044 /nfs/dbraw/zinc/16/30/44/134163044.db2.gz HLINVYXBVMIYGV-OCCSQVGLSA-N 1 0 231.339 3.555 20 30 BHEDRO C=C1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000353285402 134163266 /nfs/dbraw/zinc/16/32/66/134163266.db2.gz HLINVYXBVMIYGV-TZMCWYRMSA-N 1 0 231.339 3.555 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000353301570 134163194 /nfs/dbraw/zinc/16/31/94/134163194.db2.gz AXDGEKSXFIZBTE-DZGCQCFKSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000353301571 134163253 /nfs/dbraw/zinc/16/32/53/134163253.db2.gz AXDGEKSXFIZBTE-HIFRSBDPSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000353301572 134163043 /nfs/dbraw/zinc/16/30/43/134163043.db2.gz AXDGEKSXFIZBTE-UKRRQHHQSA-N 1 0 245.366 3.763 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000353301573 135082662 /nfs/dbraw/zinc/08/26/62/135082662.db2.gz AXDGEKSXFIZBTE-ZFWWWQNUSA-N 1 0 245.366 3.763 20 30 BHEDRO C=C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000353307463 134163090 /nfs/dbraw/zinc/16/30/90/134163090.db2.gz KLJHAFBKTPOWTE-UHFFFAOYSA-N 1 0 221.369 3.517 20 30 BHEDRO C=C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000353320947 134163078 /nfs/dbraw/zinc/16/30/78/134163078.db2.gz PDFZYPWFDIDXGI-UHFFFAOYSA-N 1 0 245.297 3.724 20 30 BHEDRO C=C1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000353327346 134162989 /nfs/dbraw/zinc/16/29/89/134162989.db2.gz BJXIGFMXYQOSKO-UHFFFAOYSA-N 1 0 233.380 3.561 20 30 BHEDRO C=C1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000353329739 134163430 /nfs/dbraw/zinc/16/34/30/134163430.db2.gz MTLKWUIPXTVZRV-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000353329901 134163494 /nfs/dbraw/zinc/16/34/94/134163494.db2.gz MYVVTISFYVPQGH-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C1CC[NH+](Cc2c(C)oc3ccccc32)CC1 ZINC000353331211 134163562 /nfs/dbraw/zinc/16/35/62/134163562.db2.gz UKECLUVGDBWLEA-UHFFFAOYSA-N 1 0 241.334 3.893 20 30 BHEDRO C=C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000353332317 135092773 /nfs/dbraw/zinc/09/27/73/135092773.db2.gz PTCWIEHLEQRMNH-UHFFFAOYSA-N 1 0 227.307 3.585 20 30 BHEDRO C=C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000353336552 134163619 /nfs/dbraw/zinc/16/36/19/134163619.db2.gz ZAIJUSICDWEKEP-UHFFFAOYSA-N 1 0 227.307 3.585 20 30 BHEDRO CC[N@H+](CCC#N)C[C@H](c1ccccc1)C(C)C ZINC000353385927 135159123 /nfs/dbraw/zinc/15/91/23/135159123.db2.gz VEWZLYMARWRRLG-INIZCTEOSA-N 1 0 244.382 3.662 20 30 BHEDRO CC[N@H+](CCC#N)C[C@@H](c1ccccc1)C(C)C ZINC000353385989 135158717 /nfs/dbraw/zinc/15/87/17/135158717.db2.gz VEWZLYMARWRRLG-MRXNPFEDSA-N 1 0 244.382 3.662 20 30 BHEDRO N#CCC[N@H+](CC1CC1)CC1CCCCCC1 ZINC000353418138 136265397 /nfs/dbraw/zinc/26/53/97/136265397.db2.gz ZVNNXBWJIFIVIZ-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO Cc1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000353419578 136265370 /nfs/dbraw/zinc/26/53/70/136265370.db2.gz NBICBQCEAWTVHD-UHFFFAOYSA-N 1 0 244.382 3.757 20 30 BHEDRO CC(C)CC[N@H+](CCC#N)C[C@H]1CC=CCC1 ZINC000353425555 136265327 /nfs/dbraw/zinc/26/53/27/136265327.db2.gz YLLSSEAJBSHYOK-HNNXBMFYSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)CC[N@H+](CCC#N)C[C@@H]1CC=CCC1 ZINC000353425556 136265512 /nfs/dbraw/zinc/26/55/12/136265512.db2.gz YLLSSEAJBSHYOK-OAHLLOKOSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1ccco1)c1ccco1 ZINC000353432956 136265430 /nfs/dbraw/zinc/26/54/30/136265430.db2.gz DUBBHSXWRPSNFW-AWEZNQCLSA-N 1 0 245.322 3.712 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1ccco1)c1ccco1 ZINC000353432957 534798718 /nfs/dbraw/zinc/79/87/18/534798718.db2.gz DUBBHSXWRPSNFW-CQSZACIVSA-N 1 0 245.322 3.712 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccccc1 ZINC000353437278 535020798 /nfs/dbraw/zinc/02/07/98/535020798.db2.gz QNQNFPZCMCTYLG-UHFFFAOYSA-N 1 0 244.382 3.838 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000353457062 134163857 /nfs/dbraw/zinc/16/38/57/134163857.db2.gz YLSIMLJIDOEHOP-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000353457068 535075948 /nfs/dbraw/zinc/07/59/48/535075948.db2.gz YLSIMLJIDOEHOP-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000353457583 134163849 /nfs/dbraw/zinc/16/38/49/134163849.db2.gz ZTRNQSYPWYRHGB-CYBMUJFWSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000353457585 535074785 /nfs/dbraw/zinc/07/47/85/535074785.db2.gz ZTRNQSYPWYRHGB-ZDUSSCGKSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@@H]1CCCCC[N@@H+]1CC(C)(C)CCC#N ZINC000353473048 134163728 /nfs/dbraw/zinc/16/37/28/134163728.db2.gz QFMBHGMCKKPGKY-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@H]1CCCCC[N@@H+]1CC(C)(C)CCC#N ZINC000353473049 134164103 /nfs/dbraw/zinc/16/41/03/134164103.db2.gz QFMBHGMCKKPGKY-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](CC)OC)c1ccccc1 ZINC000353548299 134164433 /nfs/dbraw/zinc/16/44/33/134164433.db2.gz LPAITTZKDBGECE-CVEARBPZSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](CC)OC)c1ccccc1 ZINC000353548300 134164333 /nfs/dbraw/zinc/16/43/33/134164333.db2.gz LPAITTZKDBGECE-HOTGVXAUSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](CC)OC)c1ccccc1 ZINC000353548301 534798131 /nfs/dbraw/zinc/79/81/31/534798131.db2.gz LPAITTZKDBGECE-HZPDHXFCSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](CC)OC)c1ccccc1 ZINC000353548302 534798110 /nfs/dbraw/zinc/79/81/10/534798110.db2.gz LPAITTZKDBGECE-JKSUJKDBSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CC1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000353583157 534530600 /nfs/dbraw/zinc/53/06/00/534530600.db2.gz ANNWLGKXXZPHHP-UHFFFAOYSA-N 1 0 235.396 3.763 20 30 BHEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(C)c1 ZINC000353587839 535897936 /nfs/dbraw/zinc/89/79/36/535897936.db2.gz JFRLWWSZIDPOGD-HNNXBMFYSA-N 1 0 242.366 3.730 20 30 BHEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(C)c1 ZINC000353587840 535803117 /nfs/dbraw/zinc/80/31/17/535803117.db2.gz JFRLWWSZIDPOGD-OAHLLOKOSA-N 1 0 242.366 3.730 20 30 BHEDRO CCC1(CC)CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000353589199 134164655 /nfs/dbraw/zinc/16/46/55/134164655.db2.gz PNCLOVZTEDJQKF-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccco1 ZINC000353589600 534796716 /nfs/dbraw/zinc/79/67/16/534796716.db2.gz QZLCWQOBSODIPR-CYBMUJFWSA-N 1 0 244.338 3.570 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(CC#N)CC1)c1ccco1 ZINC000353589601 134164608 /nfs/dbraw/zinc/16/46/08/134164608.db2.gz QZLCWQOBSODIPR-ZDUSSCGKSA-N 1 0 244.338 3.570 20 30 BHEDRO C=CC1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000353590938 534529780 /nfs/dbraw/zinc/52/97/80/534529780.db2.gz WADLVGIRHYXYLB-UHFFFAOYSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000353594197 534529795 /nfs/dbraw/zinc/52/97/95/534529795.db2.gz MLKZVSDXLPDLNP-UHFFFAOYSA-N 1 0 241.334 3.831 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cnccc1C ZINC000353662917 136265636 /nfs/dbraw/zinc/26/56/36/136265636.db2.gz ZYFDMBYYUIDTFQ-UHFFFAOYSA-N 1 0 232.371 3.568 20 30 BHEDRO CC(C)Cc1cccc([C@H](C)[NH2+]CCCC#N)c1 ZINC000353676838 136265666 /nfs/dbraw/zinc/26/56/66/136265666.db2.gz XCFBSBQBUNTVOU-AWEZNQCLSA-N 1 0 244.382 3.839 20 30 BHEDRO CC(C)Cc1cccc([C@@H](C)[NH2+]CCCC#N)c1 ZINC000353676839 136265643 /nfs/dbraw/zinc/26/56/43/136265643.db2.gz XCFBSBQBUNTVOU-CQSZACIVSA-N 1 0 244.382 3.839 20 30 BHEDRO CC[C@]1(C)CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000353690456 387829887 /nfs/dbraw/zinc/82/98/87/387829887.db2.gz RNPHTCIGDRYLPA-MRXNPFEDSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000353691716 387829070 /nfs/dbraw/zinc/82/90/70/387829070.db2.gz UOJHIIJWMUVCBP-MRXNPFEDSA-N 1 0 242.366 3.570 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000353696883 534708151 /nfs/dbraw/zinc/70/81/51/534708151.db2.gz CKVUCEYHKWSTNM-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(C)sc1C ZINC000353700034 534709727 /nfs/dbraw/zinc/70/97/27/534709727.db2.gz VBCSJGCQFFGIMZ-UHFFFAOYSA-N 1 0 223.385 3.763 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000353705749 534708531 /nfs/dbraw/zinc/70/85/31/534708531.db2.gz ADVBPDAAERZCOG-UHFFFAOYSA-N 1 0 247.313 3.970 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1coc2ccccc12 ZINC000353738057 534710226 /nfs/dbraw/zinc/71/02/26/534710226.db2.gz KICZPRJXXOWEBK-UHFFFAOYSA-N 1 0 229.323 3.831 20 30 BHEDRO CC(C)[C@H]1[N@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000353745261 134164936 /nfs/dbraw/zinc/16/49/36/134164936.db2.gz ICIKWARDRFNXOX-CYBMUJFWSA-N 1 0 236.403 3.683 20 30 BHEDRO CC(C)[C@@H]1[N@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000353745262 134165240 /nfs/dbraw/zinc/16/52/40/134165240.db2.gz ICIKWARDRFNXOX-ZDUSSCGKSA-N 1 0 236.403 3.683 20 30 BHEDRO C=CCOc1ccc(C[N@@H+](CC)C2CCC2)cc1 ZINC000353813119 534882328 /nfs/dbraw/zinc/88/23/28/534882328.db2.gz HKAWTLHLYDDHJP-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1ccccc1C[N@@H+](CC)C1CCC1 ZINC000353826438 353825326 /nfs/dbraw/zinc/82/53/26/353825326.db2.gz PFRYMVWJEWJIGP-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000353839743 534996179 /nfs/dbraw/zinc/99/61/79/534996179.db2.gz BDERLCXZLZQNJH-CABCVRRESA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000353839745 534995984 /nfs/dbraw/zinc/99/59/84/534995984.db2.gz BDERLCXZLZQNJH-GJZGRUSLSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000353839747 534996685 /nfs/dbraw/zinc/99/66/85/534996685.db2.gz BDERLCXZLZQNJH-LSDHHAIUSA-N 1 0 248.414 3.971 20 30 BHEDRO C=CCOc1cccc(C[N@@H+](CC)C2CCC2)c1 ZINC000353866605 134165272 /nfs/dbraw/zinc/16/52/72/134165272.db2.gz IWOOIOOOWSFPBY-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000353880143 177130392 /nfs/dbraw/zinc/13/03/92/177130392.db2.gz JDMWPVXEWRINBL-KBPBESRZSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000353880149 177114642 /nfs/dbraw/zinc/11/46/42/177114642.db2.gz JDMWPVXEWRINBL-KGLIPLIRSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cccc(C#N)c1 ZINC000353880151 177115249 /nfs/dbraw/zinc/11/52/49/177115249.db2.gz JDMWPVXEWRINBL-UONOGXRCSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000353880152 176114484 /nfs/dbraw/zinc/11/44/84/176114484.db2.gz JDMWPVXEWRINBL-ZIAGYGMSSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000353883565 177130015 /nfs/dbraw/zinc/13/00/15/177130015.db2.gz UWPQDHLOJQNXSZ-KBPBESRZSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000353883572 177115126 /nfs/dbraw/zinc/11/51/26/177115126.db2.gz UWPQDHLOJQNXSZ-KGLIPLIRSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000353883573 358904007 /nfs/dbraw/zinc/90/40/07/358904007.db2.gz UWPQDHLOJQNXSZ-UONOGXRCSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000353883574 358903788 /nfs/dbraw/zinc/90/37/88/358903788.db2.gz UWPQDHLOJQNXSZ-ZIAGYGMSSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353894844 134165529 /nfs/dbraw/zinc/16/55/29/134165529.db2.gz ANBKHIKSIUOHRZ-HNNXBMFYSA-N 1 0 230.355 3.667 20 30 BHEDRO CC(C)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353894845 355116794 /nfs/dbraw/zinc/11/67/94/355116794.db2.gz ANBKHIKSIUOHRZ-OAHLLOKOSA-N 1 0 230.355 3.667 20 30 BHEDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000353902673 358905584 /nfs/dbraw/zinc/90/55/84/358905584.db2.gz UVBFLWANAKMZNN-INIZCTEOSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000353902679 358905811 /nfs/dbraw/zinc/90/58/11/358905811.db2.gz UVBFLWANAKMZNN-MRXNPFEDSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353911384 134165477 /nfs/dbraw/zinc/16/54/77/134165477.db2.gz BSKDGGFIYIGJDB-BMFZPTHFSA-N 1 0 242.366 3.667 20 30 BHEDRO C[C@@H]1C[C@@H]1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353911385 134165374 /nfs/dbraw/zinc/16/53/74/134165374.db2.gz BSKDGGFIYIGJDB-FVQBIDKESA-N 1 0 242.366 3.667 20 30 BHEDRO C[C@@H]1C[C@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353911386 136009451 /nfs/dbraw/zinc/00/94/51/136009451.db2.gz BSKDGGFIYIGJDB-KBMXLJTQSA-N 1 0 242.366 3.667 20 30 BHEDRO C[C@@H]1C[C@H]1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353911387 136009352 /nfs/dbraw/zinc/00/93/52/136009352.db2.gz BSKDGGFIYIGJDB-VNQPRFMTSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)=CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353918639 535371070 /nfs/dbraw/zinc/37/10/70/535371070.db2.gz ZPJJHLLJVLYMQY-INIZCTEOSA-N 1 0 242.366 3.977 20 30 BHEDRO CC(C)=CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353918640 535371146 /nfs/dbraw/zinc/37/11/46/535371146.db2.gz ZPJJHLLJVLYMQY-MRXNPFEDSA-N 1 0 242.366 3.977 20 30 BHEDRO C=CCC(C)(C)C[NH2+]CCCc1ccc(C)nc1 ZINC000353925273 534551563 /nfs/dbraw/zinc/55/15/63/534551563.db2.gz NANMVUKWCLWBJZ-UHFFFAOYSA-N 1 0 246.398 3.515 20 30 BHEDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC000353936504 177130468 /nfs/dbraw/zinc/13/04/68/177130468.db2.gz ZEJZCAZKAZFPTE-KBPBESRZSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC000353936505 177115211 /nfs/dbraw/zinc/11/52/11/177115211.db2.gz ZEJZCAZKAZFPTE-KGLIPLIRSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccccc1C#N ZINC000353936506 177115448 /nfs/dbraw/zinc/11/54/48/177115448.db2.gz ZEJZCAZKAZFPTE-UONOGXRCSA-N 1 0 242.366 3.569 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000353975774 136372039 /nfs/dbraw/zinc/37/20/39/136372039.db2.gz VXEQWQIUEVEZNR-DOMZBBRYSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000353975778 136372010 /nfs/dbraw/zinc/37/20/10/136372010.db2.gz VXEQWQIUEVEZNR-IUODEOHRSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000353975779 136372005 /nfs/dbraw/zinc/37/20/05/136372005.db2.gz VXEQWQIUEVEZNR-SWLSCSKDSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000353975781 181068783 /nfs/dbraw/zinc/06/87/83/181068783.db2.gz VXEQWQIUEVEZNR-WFASDCNBSA-N 1 0 246.398 3.627 20 30 BHEDRO CC(C)[C@H](C[NH2+]CCCCC#N)c1ccccc1 ZINC000354347477 535016333 /nfs/dbraw/zinc/01/63/33/535016333.db2.gz KVNVNJXJZXLZPM-INIZCTEOSA-N 1 0 244.382 3.710 20 30 BHEDRO CC(C)[C@@H](C[NH2+]CCCCC#N)c1ccccc1 ZINC000354347482 535191556 /nfs/dbraw/zinc/19/15/56/535191556.db2.gz KVNVNJXJZXLZPM-MRXNPFEDSA-N 1 0 244.382 3.710 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)Nc1cc2c(c[nH+]1)CCC2 ZINC000354532186 348265048 /nfs/dbraw/zinc/26/50/48/348265048.db2.gz AHUNFCZITOSNNN-NEPJUHHUSA-N 1 0 230.355 3.583 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)Nc1cc2c(c[nH+]1)CCC2 ZINC000354532187 348264759 /nfs/dbraw/zinc/26/47/59/348264759.db2.gz AHUNFCZITOSNNN-NWDGAFQWSA-N 1 0 230.355 3.583 20 30 BHEDRO C=CC[C@H](C)[C@H](C)Nc1cc2c(c[nH+]1)CCC2 ZINC000354532188 385632092 /nfs/dbraw/zinc/63/20/92/385632092.db2.gz AHUNFCZITOSNNN-RYUDHWBXSA-N 1 0 230.355 3.583 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)Nc1cc2c(c[nH+]1)CCC2 ZINC000354532189 385632081 /nfs/dbraw/zinc/63/20/81/385632081.db2.gz AHUNFCZITOSNNN-VXGBXAGGSA-N 1 0 230.355 3.583 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000354574852 534761359 /nfs/dbraw/zinc/76/13/59/534761359.db2.gz PAZOHYXAAXGUOT-AWEZNQCLSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000354574857 534752121 /nfs/dbraw/zinc/75/21/21/534752121.db2.gz PAZOHYXAAXGUOT-CQSZACIVSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnccc1C ZINC000354587637 134169221 /nfs/dbraw/zinc/16/92/21/134169221.db2.gz UHQDESWUXHZPKT-AWEZNQCLSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnccc1C ZINC000354587638 534695291 /nfs/dbraw/zinc/69/52/91/534695291.db2.gz UHQDESWUXHZPKT-CQSZACIVSA-N 1 0 232.371 3.615 20 30 BHEDRO CC(C)C[C@@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000354628643 134169517 /nfs/dbraw/zinc/16/95/17/134169517.db2.gz BAAIPUAPJYXKEV-INIZCTEOSA-N 1 0 244.382 3.710 20 30 BHEDRO CC(C)C[C@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000354628644 134169633 /nfs/dbraw/zinc/16/96/33/134169633.db2.gz BAAIPUAPJYXKEV-MRXNPFEDSA-N 1 0 244.382 3.710 20 30 BHEDRO C=CCOc1cccc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000354996444 349959873 /nfs/dbraw/zinc/95/98/73/349959873.db2.gz WRRGZSDVTUIKNT-KBPBESRZSA-N 1 0 245.366 3.624 20 30 BHEDRO C=CCOc1cccc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000354996448 349959760 /nfs/dbraw/zinc/95/97/60/349959760.db2.gz WRRGZSDVTUIKNT-OKILXGFUSA-N 1 0 245.366 3.624 20 30 BHEDRO C=CCOc1cccc(C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000354996449 349960818 /nfs/dbraw/zinc/96/08/18/349960818.db2.gz WRRGZSDVTUIKNT-ZIAGYGMSSA-N 1 0 245.366 3.624 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC1(C)CCC(OC)CC1 ZINC000355108634 134171883 /nfs/dbraw/zinc/17/18/83/134171883.db2.gz DPOCTLMROGHFSY-NFOMZHRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC1(C)CCC(OC)CC1 ZINC000355108637 134172072 /nfs/dbraw/zinc/17/20/72/134172072.db2.gz DPOCTLMROGHFSY-WLYUNCDWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCOc1ccc(C[NH2+]CCC2(C)CC2)cc1 ZINC000355122521 134172087 /nfs/dbraw/zinc/17/20/87/134172087.db2.gz MJFDJXIQRUUHRG-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CCC1(C)CC1 ZINC000355127132 134171843 /nfs/dbraw/zinc/17/18/43/134171843.db2.gz SIDHJAIFRJQWOG-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=CCOc1cccc(C[NH2+]CCC2(C)CC2)c1 ZINC000355145578 134172118 /nfs/dbraw/zinc/17/21/18/134172118.db2.gz BEJKPAMJZPXVEY-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000355508425 134173607 /nfs/dbraw/zinc/17/36/07/134173607.db2.gz KQRSFNQIECCIQK-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000355508430 134173549 /nfs/dbraw/zinc/17/35/49/134173549.db2.gz KQRSFNQIECCIQK-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCC(C)(C)C1 ZINC000355580430 388604187 /nfs/dbraw/zinc/60/41/87/388604187.db2.gz IBMPWQBWPGWBHC-LLVKDONJSA-N 1 0 248.395 3.630 20 30 BHEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCC(C)(C)C1 ZINC000355580435 384462368 /nfs/dbraw/zinc/46/23/68/384462368.db2.gz IBMPWQBWPGWBHC-NSHDSACASA-N 1 0 248.395 3.630 20 30 BHEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCC(C)(C)C1 ZINC000355581049 134174120 /nfs/dbraw/zinc/17/41/20/134174120.db2.gz HJXVJTMXODAYFR-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](CC(C)(C)CCC#N)[C@H]1CCC(C)(C)C1 ZINC000355581051 134174094 /nfs/dbraw/zinc/17/40/94/134174094.db2.gz HJXVJTMXODAYFR-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCC(C)(C)C1 ZINC000355581770 388603943 /nfs/dbraw/zinc/60/39/43/388603943.db2.gz KPDAOWXYJULMSB-GFCCVEGCSA-N 1 0 248.395 3.630 20 30 BHEDRO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCC(C)(C)C1 ZINC000355581772 388604016 /nfs/dbraw/zinc/60/40/16/388604016.db2.gz KPDAOWXYJULMSB-LBPRGKRZSA-N 1 0 248.395 3.630 20 30 BHEDRO C[N@H+](Cc1ccccc1C#N)[C@H]1CCC(C)(C)C1 ZINC000355588712 388603930 /nfs/dbraw/zinc/60/39/30/388603930.db2.gz XTGGIYJYVMHKLA-HNNXBMFYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000355588713 388604125 /nfs/dbraw/zinc/60/41/25/388604125.db2.gz XTGGIYJYVMHKLA-OAHLLOKOSA-N 1 0 242.366 3.569 20 30 BHEDRO C=C[C@@H]1CCCCN1c1cc[nH+]c(C)c1Cl ZINC000355681167 534561511 /nfs/dbraw/zinc/56/15/11/534561511.db2.gz JEVQIFICWDJJKS-LLVKDONJSA-N 1 0 236.746 3.588 20 30 BHEDRO C=C[C@H]1CCCCN1c1cc[nH+]c(C)c1Cl ZINC000355681172 534699082 /nfs/dbraw/zinc/69/90/82/534699082.db2.gz JEVQIFICWDJJKS-NSHDSACASA-N 1 0 236.746 3.588 20 30 BHEDRO CC(C)(CCC#N)C[N@H+](CC1CC1)C1CCC1 ZINC000355723003 534996514 /nfs/dbraw/zinc/99/65/14/534996514.db2.gz BSHJEERGTOUZQB-UHFFFAOYSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1cc2cccc(F)c2o1 ZINC000355727475 134174751 /nfs/dbraw/zinc/17/47/51/134174751.db2.gz CADFAJCCEZMKBB-JTQLQIEISA-N 1 0 246.285 3.526 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1cc2cccc(F)c2o1 ZINC000355727479 134174727 /nfs/dbraw/zinc/17/47/27/134174727.db2.gz CADFAJCCEZMKBB-SNVBAGLBSA-N 1 0 246.285 3.526 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[N@H+](CCC#N)CC2CC2)C1 ZINC000356199573 168130139 /nfs/dbraw/zinc/13/01/39/168130139.db2.gz ZANMNQOBIMCIPI-BBRMVZONSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@@H](C)C[C@H](C[N@H+](CCC#N)CC2CC2)C1 ZINC000356199574 135045465 /nfs/dbraw/zinc/04/54/65/135045465.db2.gz ZANMNQOBIMCIPI-CJNGLKHVSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@@H](C)C[C@@H](C[N@H+](CCC#N)CC2CC2)C1 ZINC000356199591 135045644 /nfs/dbraw/zinc/04/56/44/135045644.db2.gz ZANMNQOBIMCIPI-CZUORRHYSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[N@H+](CCC#N)CC2CC2)C1 ZINC000356199600 135045197 /nfs/dbraw/zinc/04/51/97/135045197.db2.gz ZANMNQOBIMCIPI-XJKSGUPXSA-N 1 0 246.398 3.604 20 30 BHEDRO CC(C)(CCC#N)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000356271017 534996349 /nfs/dbraw/zinc/99/63/49/534996349.db2.gz CTAFUPOVTMCRPW-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356393056 134177929 /nfs/dbraw/zinc/17/79/29/134177929.db2.gz KOYHBZNDJUPOLB-UHFFFAOYSA-N 1 0 249.301 3.775 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(SC)s1)C1CC1 ZINC000356422167 134177963 /nfs/dbraw/zinc/17/79/63/134177963.db2.gz VAPNHTRSZJWKNW-UHFFFAOYSA-N 1 0 239.409 3.620 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356441827 134178234 /nfs/dbraw/zinc/17/82/34/134178234.db2.gz SIXGILQCBZWRIR-UHFFFAOYSA-N 1 0 249.301 3.775 20 30 BHEDRO CC1(C#N)CC[NH+](CCCC2CCCC2)CC1 ZINC000356442720 535275549 /nfs/dbraw/zinc/27/55/49/535275549.db2.gz BPHNFPQSSQREBP-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC000356970823 534675611 /nfs/dbraw/zinc/67/56/11/534675611.db2.gz ATQCNXGGPBEVCC-CYBMUJFWSA-N 1 0 236.359 3.722 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC000356970844 534675946 /nfs/dbraw/zinc/67/59/46/534675946.db2.gz ATQCNXGGPBEVCC-ZDUSSCGKSA-N 1 0 236.359 3.722 20 30 BHEDRO CC(C)c1ccc(CC[NH2+]CCCCC#N)cc1 ZINC000357016456 134181400 /nfs/dbraw/zinc/18/14/00/134181400.db2.gz FIIRWMLSGHKAII-UHFFFAOYSA-N 1 0 244.382 3.636 20 30 BHEDRO N#CCCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000357135365 134182403 /nfs/dbraw/zinc/18/24/03/134182403.db2.gz HCHRTYQUMNZLKL-UHFFFAOYSA-N 1 0 248.329 3.650 20 30 BHEDRO CCC(C)(C)C1CCC([NH2+]CCCC#N)CC1 ZINC000357276881 136209046 /nfs/dbraw/zinc/20/90/46/136209046.db2.gz VNUXYQFRVYGEOX-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CC[N@@H+](Cc1cc(C)sc1C)C1CC1 ZINC000357526887 134183624 /nfs/dbraw/zinc/18/36/24/134183624.db2.gz GXIPXJVQZWXZBZ-UHFFFAOYSA-N 1 0 221.369 3.515 20 30 BHEDRO C=CC[N@H+](Cc1cc2ccccc2o1)C1CC1 ZINC000357530764 134183803 /nfs/dbraw/zinc/18/38/03/134183803.db2.gz NDLMFUSMOYLWQZ-UHFFFAOYSA-N 1 0 227.307 3.583 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(Cl)s1)C1CC1 ZINC000357533812 134391876 /nfs/dbraw/zinc/39/18/76/134391876.db2.gz YGGRQYIUZHPGNY-UHFFFAOYSA-N 1 0 227.760 3.552 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(SC)cc1)C1CC1 ZINC000357548159 134184147 /nfs/dbraw/zinc/18/41/47/134184147.db2.gz AULVFLFHMKSHIK-UHFFFAOYSA-N 1 0 233.380 3.559 20 30 BHEDRO C=CC[N@@H+](Cc1ccccc1OC(C)C)C1CC1 ZINC000357551633 136210596 /nfs/dbraw/zinc/21/05/96/136210596.db2.gz KGQDMJDWXDOAHR-UHFFFAOYSA-N 1 0 245.366 3.624 20 30 BHEDRO N#CCC[N@H+](CCC1CCCCC1)CC1CC1 ZINC000357963838 134186419 /nfs/dbraw/zinc/18/64/19/134186419.db2.gz RGJAEJPYKHSPIY-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000358034474 134186633 /nfs/dbraw/zinc/18/66/33/134186633.db2.gz HBKVNAXPRAFIPR-AAEUAGOBSA-N 1 0 233.355 3.847 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000358034476 134186666 /nfs/dbraw/zinc/18/66/66/134186666.db2.gz HBKVNAXPRAFIPR-DGCLKSJQSA-N 1 0 233.355 3.847 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000358034479 384545753 /nfs/dbraw/zinc/54/57/53/384545753.db2.gz HBKVNAXPRAFIPR-WCQYABFASA-N 1 0 233.355 3.847 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000358034487 384547930 /nfs/dbraw/zinc/54/79/30/384547930.db2.gz HBKVNAXPRAFIPR-YPMHNXCESA-N 1 0 233.355 3.847 20 30 BHEDRO C=C1CC[NH+](Cc2ccccc2SC)CC1 ZINC000358038538 134186631 /nfs/dbraw/zinc/18/66/31/134186631.db2.gz GWQIUOLLOMZQLJ-UHFFFAOYSA-N 1 0 233.380 3.561 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000358042326 134186441 /nfs/dbraw/zinc/18/64/41/134186441.db2.gz FFUVNSPQYOTMHY-DOMZBBRYSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000358042327 134186461 /nfs/dbraw/zinc/18/64/61/134186461.db2.gz FFUVNSPQYOTMHY-IUODEOHRSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000358042330 134186553 /nfs/dbraw/zinc/18/65/53/134186553.db2.gz FFUVNSPQYOTMHY-SWLSCSKDSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000358042331 134186688 /nfs/dbraw/zinc/18/66/88/134186688.db2.gz FFUVNSPQYOTMHY-WFASDCNBSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000358048736 134186710 /nfs/dbraw/zinc/18/67/10/134186710.db2.gz QBXWUDRRGOZYIY-HZMBPMFUSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000358048737 134186640 /nfs/dbraw/zinc/18/66/40/134186640.db2.gz QBXWUDRRGOZYIY-IINYFYTJSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000358048739 134186712 /nfs/dbraw/zinc/18/67/12/134186712.db2.gz QBXWUDRRGOZYIY-QMTHXVAHSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000358048740 134186628 /nfs/dbraw/zinc/18/66/28/134186628.db2.gz QBXWUDRRGOZYIY-YGRLFVJLSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000358048765 134186518 /nfs/dbraw/zinc/18/65/18/134186518.db2.gz QHFRGBRWYOVGGD-HZMBPMFUSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000358048766 134186489 /nfs/dbraw/zinc/18/64/89/134186489.db2.gz QHFRGBRWYOVGGD-IINYFYTJSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000358048767 134186559 /nfs/dbraw/zinc/18/65/59/134186559.db2.gz QHFRGBRWYOVGGD-QMTHXVAHSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000358048769 134186448 /nfs/dbraw/zinc/18/64/48/134186448.db2.gz QHFRGBRWYOVGGD-YGRLFVJLSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccccc1SC ZINC000358053609 534829718 /nfs/dbraw/zinc/82/97/18/534829718.db2.gz VPUXOUCHMVIGPQ-UHFFFAOYSA-N 1 0 233.380 3.583 20 30 BHEDRO C=CC[N@@H+](Cc1ccccc1SC)C1CC1 ZINC000358080333 134187026 /nfs/dbraw/zinc/18/70/26/134187026.db2.gz YKIFTPMSVQPWSN-UHFFFAOYSA-N 1 0 233.380 3.559 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000358283320 536055514 /nfs/dbraw/zinc/05/55/14/536055514.db2.gz UGMKFPRTIBRAKH-GDBMZVCRSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000358283321 536055618 /nfs/dbraw/zinc/05/56/18/536055618.db2.gz UGMKFPRTIBRAKH-GOEBONIOSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000358283322 134187469 /nfs/dbraw/zinc/18/74/69/134187469.db2.gz UGMKFPRTIBRAKH-HOCLYGCPSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000358283323 134187456 /nfs/dbraw/zinc/18/74/56/134187456.db2.gz UGMKFPRTIBRAKH-ZBFHGGJFSA-N 1 0 244.382 3.537 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc2c(c1)COC2 ZINC000358311733 134187504 /nfs/dbraw/zinc/18/75/04/134187504.db2.gz ZNGWRARQGGSXON-INIZCTEOSA-N 1 0 245.366 3.551 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)COC2 ZINC000358311734 134187507 /nfs/dbraw/zinc/18/75/07/134187507.db2.gz ZNGWRARQGGSXON-MRXNPFEDSA-N 1 0 245.366 3.551 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000358317653 534668622 /nfs/dbraw/zinc/66/86/22/534668622.db2.gz LDYUWIMGGCBSMI-GXTWGEPZSA-N 1 0 243.350 3.597 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000358317655 134187752 /nfs/dbraw/zinc/18/77/52/134187752.db2.gz LDYUWIMGGCBSMI-JSGCOSHPSA-N 1 0 243.350 3.597 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000358317656 534512372 /nfs/dbraw/zinc/51/23/72/534512372.db2.gz LDYUWIMGGCBSMI-OCCSQVGLSA-N 1 0 243.350 3.597 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000358317657 534512512 /nfs/dbraw/zinc/51/25/12/534512512.db2.gz LDYUWIMGGCBSMI-TZMCWYRMSA-N 1 0 243.350 3.597 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccccc1 ZINC000358343333 385000876 /nfs/dbraw/zinc/00/08/76/385000876.db2.gz SRNLWPKFJUZVCC-DZKIICNBSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccccc1 ZINC000358343336 385001847 /nfs/dbraw/zinc/00/18/47/385001847.db2.gz SRNLWPKFJUZVCC-FMKPAKJESA-N 1 0 247.382 3.707 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccccc1 ZINC000358343344 385002725 /nfs/dbraw/zinc/00/27/25/385002725.db2.gz SRNLWPKFJUZVCC-LZWOXQAQSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccccc1 ZINC000358343629 385000635 /nfs/dbraw/zinc/00/06/35/385000635.db2.gz SRNLWPKFJUZVCC-YCPHGPKFSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358375408 385032063 /nfs/dbraw/zinc/03/20/63/385032063.db2.gz QHHWMOMQWHDEEH-HEHGZKQESA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358375415 134497887 /nfs/dbraw/zinc/49/78/87/134497887.db2.gz QHHWMOMQWHDEEH-WOSRLPQWSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358375419 385036884 /nfs/dbraw/zinc/03/68/84/385036884.db2.gz QHHWMOMQWHDEEH-XEZPLFJOSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358375421 385036184 /nfs/dbraw/zinc/03/61/84/385036184.db2.gz QHHWMOMQWHDEEH-ZENOOKHLSA-N 1 0 244.382 3.723 20 30 BHEDRO C=C(CC)C[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000358498758 534373628 /nfs/dbraw/zinc/37/36/28/534373628.db2.gz MWGAHHXBAJSSOZ-CHWSQXEVSA-N 1 0 227.417 3.559 20 30 BHEDRO C=C(CC)C[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000358498759 534374684 /nfs/dbraw/zinc/37/46/84/534374684.db2.gz MWGAHHXBAJSSOZ-OLZOCXBDSA-N 1 0 227.417 3.559 20 30 BHEDRO C=C(CC)C[N@@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000358498760 534374008 /nfs/dbraw/zinc/37/40/08/534374008.db2.gz MWGAHHXBAJSSOZ-QWHCGFSZSA-N 1 0 227.417 3.559 20 30 BHEDRO C=C(CC)C[N@@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000358498761 534376055 /nfs/dbraw/zinc/37/60/55/534376055.db2.gz MWGAHHXBAJSSOZ-STQMWFEESA-N 1 0 227.417 3.559 20 30 BHEDRO C=C(CC)C[N@@H+](CCC#N)CC(CC)CC ZINC000358502028 534377205 /nfs/dbraw/zinc/37/72/05/534377205.db2.gz UUAYHWDQZIUKQT-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO C=C(CC)C[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000358506252 534382217 /nfs/dbraw/zinc/38/22/17/534382217.db2.gz JGMUVVAHXJQGIG-UHFFFAOYSA-N 1 0 246.398 3.708 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000358507913 534375511 /nfs/dbraw/zinc/37/55/11/534375511.db2.gz LEQGWOGQQBIWKG-LLVKDONJSA-N 1 0 238.400 3.719 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000358507921 534373563 /nfs/dbraw/zinc/37/35/63/534373563.db2.gz LEQGWOGQQBIWKG-NSHDSACASA-N 1 0 238.400 3.719 20 30 BHEDRO C=C(CC)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000358512454 534402335 /nfs/dbraw/zinc/40/23/35/534402335.db2.gz SVLMQGNAWBCWDY-GFCCVEGCSA-N 1 0 201.313 3.529 20 30 BHEDRO C=C(CC)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000358512457 534401020 /nfs/dbraw/zinc/40/10/20/534401020.db2.gz SVLMQGNAWBCWDY-LBPRGKRZSA-N 1 0 201.313 3.529 20 30 BHEDRO CCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358556419 388623232 /nfs/dbraw/zinc/62/32/32/388623232.db2.gz BBJYAAHEGLXBFU-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO CCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358556431 388622639 /nfs/dbraw/zinc/62/26/39/388622639.db2.gz BBJYAAHEGLXBFU-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(C#N)cc1F ZINC000358574021 386706366 /nfs/dbraw/zinc/70/63/66/386706366.db2.gz RKVPINMEVNGVPS-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(C#N)cc1F ZINC000358574023 398174625 /nfs/dbraw/zinc/17/46/25/398174625.db2.gz RKVPINMEVNGVPS-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358592129 176613452 /nfs/dbraw/zinc/61/34/52/176613452.db2.gz PNPRFZUJKGRWNM-GHMZBOCLSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358592130 388624377 /nfs/dbraw/zinc/62/43/77/388624377.db2.gz PNPRFZUJKGRWNM-MNOVXSKESA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358592131 388624659 /nfs/dbraw/zinc/62/46/59/388624659.db2.gz PNPRFZUJKGRWNM-QWRGUYRKSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(C#N)cc1F ZINC000358592132 388624325 /nfs/dbraw/zinc/62/43/25/388624325.db2.gz PNPRFZUJKGRWNM-WDEREUQCSA-N 1 0 246.329 3.537 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000358622011 534388484 /nfs/dbraw/zinc/38/84/84/534388484.db2.gz AHHSEEZNSWLXAZ-CYBMUJFWSA-N 1 0 221.369 3.851 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000358622013 534388672 /nfs/dbraw/zinc/38/86/72/534388672.db2.gz AHHSEEZNSWLXAZ-ZDUSSCGKSA-N 1 0 221.369 3.851 20 30 BHEDRO C=C(CC)C[N@@H+](CC)Cc1cccs1 ZINC000358623584 534374768 /nfs/dbraw/zinc/37/47/68/534374768.db2.gz GPFRTPDPHLCTHA-UHFFFAOYSA-N 1 0 209.358 3.536 20 30 BHEDRO C=C(CC)C[N@H+](Cc1cccs1)C1CC1 ZINC000358628262 534377984 /nfs/dbraw/zinc/37/79/84/534377984.db2.gz KAMXTALBYQWOSL-UHFFFAOYSA-N 1 0 221.369 3.679 20 30 BHEDRO C=C(CC)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000358637733 534376864 /nfs/dbraw/zinc/37/68/64/534376864.db2.gz XAHDKWXCNBKSGN-GFCCVEGCSA-N 1 0 219.328 3.771 20 30 BHEDRO C=C(CC)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000358637734 534378240 /nfs/dbraw/zinc/37/82/40/534378240.db2.gz XAHDKWXCNBKSGN-LBPRGKRZSA-N 1 0 219.328 3.771 20 30 BHEDRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(C#N)cc1F ZINC000358974381 388628652 /nfs/dbraw/zinc/62/86/52/388628652.db2.gz AUGCZLSYWGUAHZ-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(C#N)cc1F ZINC000358974382 387983722 /nfs/dbraw/zinc/98/37/22/387983722.db2.gz AUGCZLSYWGUAHZ-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO CC[C@H]([NH2+]CCC1(C)CC1)c1ccc(C#N)cc1 ZINC000358988708 388628456 /nfs/dbraw/zinc/62/84/56/388628456.db2.gz NIYREBDYSUFZIH-HNNXBMFYSA-N 1 0 242.366 3.789 20 30 BHEDRO CC[C@@H]([NH2+]CCC1(C)CC1)c1ccc(C#N)cc1 ZINC000358988736 388628150 /nfs/dbraw/zinc/62/81/50/388628150.db2.gz NIYREBDYSUFZIH-OAHLLOKOSA-N 1 0 242.366 3.789 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000359250715 134194214 /nfs/dbraw/zinc/19/42/14/134194214.db2.gz WGJVKNKJSHXUEZ-FZMZJTMJSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000359250717 134194374 /nfs/dbraw/zinc/19/43/74/134194374.db2.gz WGJVKNKJSHXUEZ-SMDDNHRTSA-N 1 0 236.334 3.616 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000359351948 134194727 /nfs/dbraw/zinc/19/47/27/134194727.db2.gz ZADITXDGMMKHCQ-CHWSQXEVSA-N 1 0 249.402 3.514 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000359351949 534695672 /nfs/dbraw/zinc/69/56/72/534695672.db2.gz ZADITXDGMMKHCQ-OLZOCXBDSA-N 1 0 249.402 3.514 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000359351950 134194826 /nfs/dbraw/zinc/19/48/26/134194826.db2.gz ZADITXDGMMKHCQ-QWHCGFSZSA-N 1 0 249.402 3.514 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000359352672 134194629 /nfs/dbraw/zinc/19/46/29/134194629.db2.gz ZADITXDGMMKHCQ-STQMWFEESA-N 1 0 249.402 3.514 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(C(F)F)cc1)C1CC1 ZINC000359570815 136267247 /nfs/dbraw/zinc/26/72/47/136267247.db2.gz JKSQQRMECJPPNQ-UHFFFAOYSA-N 1 0 237.293 3.775 20 30 BHEDRO C=CC[N@H+](CCC1CC1)Cc1cccs1 ZINC000359844401 134197393 /nfs/dbraw/zinc/19/73/93/134197393.db2.gz ABQDTTDJOSQHAD-UHFFFAOYSA-N 1 0 221.369 3.536 20 30 BHEDRO CC[N@H+](Cc1ccc(Cl)cc1C#N)C1CCC1 ZINC000359852163 369416036 /nfs/dbraw/zinc/41/60/36/369416036.db2.gz COWPALSYTVKNPQ-UHFFFAOYSA-N 1 0 248.757 3.586 20 30 BHEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000359853237 388630588 /nfs/dbraw/zinc/63/05/88/388630588.db2.gz FNVRNHYSGMODTB-AWEZNQCLSA-N 1 0 248.757 3.586 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000359853238 369415843 /nfs/dbraw/zinc/41/58/43/369415843.db2.gz FNVRNHYSGMODTB-CQSZACIVSA-N 1 0 248.757 3.586 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C)nc1C ZINC000359870056 345760687 /nfs/dbraw/zinc/76/06/87/345760687.db2.gz DLTDEKHJRLKZDM-UHFFFAOYSA-N 1 0 246.398 3.877 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCc2occc21 ZINC000359914854 166302341 /nfs/dbraw/zinc/30/23/41/166302341.db2.gz BWJYFMXRPNZYLG-GXTWGEPZSA-N 1 0 233.355 3.991 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCc2occc21 ZINC000359914855 166302350 /nfs/dbraw/zinc/30/23/50/166302350.db2.gz BWJYFMXRPNZYLG-JSGCOSHPSA-N 1 0 233.355 3.991 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCc2occc21 ZINC000359914858 166294852 /nfs/dbraw/zinc/29/48/52/166294852.db2.gz BWJYFMXRPNZYLG-OCCSQVGLSA-N 1 0 233.355 3.991 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCc2occc21 ZINC000359914859 166294444 /nfs/dbraw/zinc/29/44/44/166294444.db2.gz BWJYFMXRPNZYLG-TZMCWYRMSA-N 1 0 233.355 3.991 20 30 BHEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)CC12CCC2 ZINC000360466633 134200912 /nfs/dbraw/zinc/20/09/12/134200912.db2.gz NQBPUUYNTAJNMS-AWEZNQCLSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)CC12CCC2 ZINC000360466634 134200838 /nfs/dbraw/zinc/20/08/38/134200838.db2.gz NQBPUUYNTAJNMS-CQSZACIVSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CC[N@H+](CCCCC#N)CC12CCCCC2 ZINC000360609365 134201573 /nfs/dbraw/zinc/20/15/73/134201573.db2.gz BYOVSMVBCFXKAD-HNNXBMFYSA-N 1 0 248.414 3.973 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC#N)CC12CCCCC2 ZINC000360609366 134201423 /nfs/dbraw/zinc/20/14/23/134201423.db2.gz BYOVSMVBCFXKAD-OAHLLOKOSA-N 1 0 248.414 3.973 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000360614874 534388136 /nfs/dbraw/zinc/38/81/36/534388136.db2.gz VLRYNGXXLJXPST-CYBMUJFWSA-N 1 0 236.384 3.555 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000360614875 534387648 /nfs/dbraw/zinc/38/76/48/534387648.db2.gz VLRYNGXXLJXPST-ZDUSSCGKSA-N 1 0 236.384 3.555 20 30 BHEDRO C[C@H]1CC[N@H+](CCCC#N)CC12CCCCC2 ZINC000360620939 134201343 /nfs/dbraw/zinc/20/13/43/134201343.db2.gz OYFFKLOIUKVPAW-AWEZNQCLSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCC#N)CC12CCCCC2 ZINC000360620940 134201381 /nfs/dbraw/zinc/20/13/81/134201381.db2.gz OYFFKLOIUKVPAW-CQSZACIVSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@H]1CC[N@H+](CC2(C#N)CC2)CC12CCCCC2 ZINC000360626167 134201490 /nfs/dbraw/zinc/20/14/90/134201490.db2.gz DXMDCNYZPBUSLB-AWEZNQCLSA-N 1 0 246.398 3.582 20 30 BHEDRO C[C@@H]1CC[N@H+](CC2(C#N)CC2)CC12CCCCC2 ZINC000360626168 134201495 /nfs/dbraw/zinc/20/14/95/134201495.db2.gz DXMDCNYZPBUSLB-CQSZACIVSA-N 1 0 246.398 3.582 20 30 BHEDRO C[C@@H]1CC[C@@]2(CC[N@H+](CC(C)(C)CCC#N)C2)C1 ZINC000360681584 134201823 /nfs/dbraw/zinc/20/18/23/134201823.db2.gz QCQSUOZPDKRXGA-GDBMZVCRSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CC[C@@]2(CC[N@H+](CC(C)(C)CCC#N)C2)C1 ZINC000360681585 134201929 /nfs/dbraw/zinc/20/19/29/134201929.db2.gz QCQSUOZPDKRXGA-GOEBONIOSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CC[C@]2(CC[N@H+](CC(C)(C)CCC#N)C2)C1 ZINC000360681586 134201965 /nfs/dbraw/zinc/20/19/65/134201965.db2.gz QCQSUOZPDKRXGA-HOCLYGCPSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CC[C@]2(CC[N@H+](CC(C)(C)CCC#N)C2)C1 ZINC000360681587 134202006 /nfs/dbraw/zinc/20/20/06/134202006.db2.gz QCQSUOZPDKRXGA-ZBFHGGJFSA-N 1 0 248.414 3.828 20 30 BHEDRO C=C(CC)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360707716 534402678 /nfs/dbraw/zinc/40/26/78/534402678.db2.gz NDSZOLCVPJHXDW-UHFFFAOYSA-N 1 0 227.351 3.500 20 30 BHEDRO CC[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360816261 171347080 /nfs/dbraw/zinc/34/70/80/171347080.db2.gz AEONCMYUUYMBBM-BLLLJJGKSA-N 1 0 242.366 3.714 20 30 BHEDRO CC[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360816264 171349049 /nfs/dbraw/zinc/34/90/49/171349049.db2.gz AEONCMYUUYMBBM-LRDDRELGSA-N 1 0 242.366 3.714 20 30 BHEDRO CC[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360816265 411170056 /nfs/dbraw/zinc/17/00/56/411170056.db2.gz AEONCMYUUYMBBM-MLGOLLRUSA-N 1 0 242.366 3.714 20 30 BHEDRO CC[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360816266 411169956 /nfs/dbraw/zinc/16/99/56/411169956.db2.gz AEONCMYUUYMBBM-WBMJQRKESA-N 1 0 242.366 3.714 20 30 BHEDRO CC(C)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360840411 167015018 /nfs/dbraw/zinc/01/50/18/167015018.db2.gz NNZSHIZQJKECGR-INIZCTEOSA-N 1 0 242.366 3.571 20 30 BHEDRO CC(C)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360840412 167011360 /nfs/dbraw/zinc/01/13/60/167011360.db2.gz NNZSHIZQJKECGR-MRXNPFEDSA-N 1 0 242.366 3.571 20 30 BHEDRO CCCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360841887 168876208 /nfs/dbraw/zinc/87/62/08/168876208.db2.gz UNRWBEMRPLNIKN-INIZCTEOSA-N 1 0 242.366 3.715 20 30 BHEDRO CCCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360841888 168874438 /nfs/dbraw/zinc/87/44/38/168874438.db2.gz UNRWBEMRPLNIKN-MRXNPFEDSA-N 1 0 242.366 3.715 20 30 BHEDRO CC1(C)CC[C@H]([NH2+]CCCC#N)c2ccccc21 ZINC000360882765 134202586 /nfs/dbraw/zinc/20/25/86/134202586.db2.gz GUXVDYYZINTAGR-HNNXBMFYSA-N 1 0 242.366 3.692 20 30 BHEDRO CC1(C)CC[C@@H]([NH2+]CCCC#N)c2ccccc21 ZINC000360882766 134202481 /nfs/dbraw/zinc/20/24/81/134202481.db2.gz GUXVDYYZINTAGR-OAHLLOKOSA-N 1 0 242.366 3.692 20 30 BHEDRO CC[N@H+](CC(C)(C)C)CC(C)(C)CCC#N ZINC000361019120 134202852 /nfs/dbraw/zinc/20/28/52/134202852.db2.gz XBZHQESQYPHNTM-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=CCCC[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000361071632 134203228 /nfs/dbraw/zinc/20/32/28/134203228.db2.gz BKSIBKYIXMTDRO-UHFFFAOYSA-N 1 0 244.382 3.536 20 30 BHEDRO C=CCCC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361076277 134203331 /nfs/dbraw/zinc/20/33/31/134203331.db2.gz XBIFKODKOOHDCC-GFCCVEGCSA-N 1 0 201.313 3.529 20 30 BHEDRO C=CCCC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361076278 134203086 /nfs/dbraw/zinc/20/30/86/134203086.db2.gz XBIFKODKOOHDCC-LBPRGKRZSA-N 1 0 201.313 3.529 20 30 BHEDRO C=C(CC)C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000361087857 534382561 /nfs/dbraw/zinc/38/25/61/534382561.db2.gz NENXNJFLODEXPD-UHFFFAOYSA-N 1 0 244.382 3.536 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1cc2c(s1)CCC2 ZINC000361108642 134203596 /nfs/dbraw/zinc/20/35/96/134203596.db2.gz CZNUZDWZPIXVKN-LLVKDONJSA-N 1 0 248.395 3.581 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1cc2c(s1)CCC2 ZINC000361108646 134203624 /nfs/dbraw/zinc/20/36/24/134203624.db2.gz CZNUZDWZPIXVKN-NSHDSACASA-N 1 0 248.395 3.581 20 30 BHEDRO Cc1ccc2c(c1)C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000361112867 134203449 /nfs/dbraw/zinc/20/34/49/134203449.db2.gz JWXPTKGHCORMCO-UHFFFAOYSA-N 1 0 242.366 3.641 20 30 BHEDRO N#CCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000361117648 134203368 /nfs/dbraw/zinc/20/33/68/134203368.db2.gz MNHAOMRNSZZTCY-UHFFFAOYSA-N 1 0 242.366 3.738 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccncc1CC ZINC000361127923 134203514 /nfs/dbraw/zinc/20/35/14/134203514.db2.gz BRHDFBTVIXYOSN-CHWSQXEVSA-N 1 0 232.371 3.649 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1CC ZINC000361127924 134203644 /nfs/dbraw/zinc/20/36/44/134203644.db2.gz BRHDFBTVIXYOSN-OLZOCXBDSA-N 1 0 232.371 3.649 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccncc1CC ZINC000361127925 134203540 /nfs/dbraw/zinc/20/35/40/134203540.db2.gz BRHDFBTVIXYOSN-QWHCGFSZSA-N 1 0 232.371 3.649 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccncc1CC ZINC000361127926 134203431 /nfs/dbraw/zinc/20/34/31/134203431.db2.gz BRHDFBTVIXYOSN-STQMWFEESA-N 1 0 232.371 3.649 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000361333303 134204766 /nfs/dbraw/zinc/20/47/66/134204766.db2.gz AZPPOAFFXKQAHB-CYBMUJFWSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000361333304 134204451 /nfs/dbraw/zinc/20/44/51/134204451.db2.gz AZPPOAFFXKQAHB-ZDUSSCGKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1cnccc1C ZINC000361421048 134204941 /nfs/dbraw/zinc/20/49/41/134204941.db2.gz DVOJLDASNZAURM-AWEZNQCLSA-N 1 0 232.371 3.567 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1cnccc1C ZINC000361421049 134204980 /nfs/dbraw/zinc/20/49/80/134204980.db2.gz DVOJLDASNZAURM-CQSZACIVSA-N 1 0 232.371 3.567 20 30 BHEDRO CC[N@H+](CC1CCC1)[C@H](C)c1cccc(C#N)c1 ZINC000361480775 169813953 /nfs/dbraw/zinc/81/39/53/169813953.db2.gz FWHJOVCHCDMGPV-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[N@H+](CC1CCC1)[C@@H](C)c1cccc(C#N)c1 ZINC000361480776 388637558 /nfs/dbraw/zinc/63/75/58/388637558.db2.gz FWHJOVCHCDMGPV-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO CC(C)(C#N)CCC[N@H+](CC1CC1)C1CCC1 ZINC000361570562 387495236 /nfs/dbraw/zinc/49/52/36/387495236.db2.gz DEULLYWNPKGUAC-UHFFFAOYSA-N 1 0 234.387 3.581 20 30 BHEDRO Cc1ccc2c(c1)C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000361592923 136268571 /nfs/dbraw/zinc/26/85/71/136268571.db2.gz FXSAARXJDBRDIK-UHFFFAOYSA-N 1 0 242.366 3.641 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000361835543 134207879 /nfs/dbraw/zinc/20/78/79/134207879.db2.gz AXEVNSYJRFOAEG-HNNXBMFYSA-N 1 0 234.387 3.725 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000361835544 134207794 /nfs/dbraw/zinc/20/77/94/134207794.db2.gz AXEVNSYJRFOAEG-OAHLLOKOSA-N 1 0 234.387 3.725 20 30 BHEDRO CCCC1CCC([N@H+](C)CC2(C#N)CC2)CC1 ZINC000362163593 534925004 /nfs/dbraw/zinc/92/50/04/534925004.db2.gz POGSGORXSRAOKW-UHFFFAOYSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CCCC[N@H+](CCC#N)CC(CC)CC ZINC000362181224 136268805 /nfs/dbraw/zinc/26/88/05/136268805.db2.gz KRWCSIDYFUYSQE-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000362276560 534419730 /nfs/dbraw/zinc/41/97/30/534419730.db2.gz HNRCGMZSALMLRX-GFCCVEGCSA-N 1 0 249.402 3.563 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000362276569 534417338 /nfs/dbraw/zinc/41/73/38/534417338.db2.gz HNRCGMZSALMLRX-LBPRGKRZSA-N 1 0 249.402 3.563 20 30 BHEDRO N#CCCC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000362383963 134211028 /nfs/dbraw/zinc/21/10/28/134211028.db2.gz UMHIYNOESPTQIL-UHFFFAOYSA-N 1 0 234.387 3.727 20 30 BHEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2CCC#N)c1C ZINC000362384898 134211023 /nfs/dbraw/zinc/21/10/23/134211023.db2.gz NPQOQLXNXCLGMZ-INIZCTEOSA-N 1 0 242.366 3.744 20 30 BHEDRO Cc1cccc([C@H]2CCCC[N@@H+]2CCC#N)c1C ZINC000362384899 134210860 /nfs/dbraw/zinc/21/08/60/134210860.db2.gz NPQOQLXNXCLGMZ-MRXNPFEDSA-N 1 0 242.366 3.744 20 30 BHEDRO C=CC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000362430336 134211012 /nfs/dbraw/zinc/21/10/12/134211012.db2.gz MENYQMFYYDWUSL-AAEUAGOBSA-N 1 0 219.328 3.547 20 30 BHEDRO C=CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000362430337 534849196 /nfs/dbraw/zinc/84/91/96/534849196.db2.gz MENYQMFYYDWUSL-DGCLKSJQSA-N 1 0 219.328 3.547 20 30 BHEDRO C=CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000362430338 134211033 /nfs/dbraw/zinc/21/10/33/134211033.db2.gz MENYQMFYYDWUSL-WCQYABFASA-N 1 0 219.328 3.547 20 30 BHEDRO C=CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000362430339 534849132 /nfs/dbraw/zinc/84/91/32/534849132.db2.gz MENYQMFYYDWUSL-YPMHNXCESA-N 1 0 219.328 3.547 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362463172 134211277 /nfs/dbraw/zinc/21/12/77/134211277.db2.gz JOTUVFKVBZGORQ-CHWSQXEVSA-N 1 0 219.328 3.629 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000362463173 134211371 /nfs/dbraw/zinc/21/13/71/134211371.db2.gz JOTUVFKVBZGORQ-OLZOCXBDSA-N 1 0 219.328 3.629 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000362463515 134211326 /nfs/dbraw/zinc/21/13/26/134211326.db2.gz JOTUVFKVBZGORQ-QWHCGFSZSA-N 1 0 219.328 3.629 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000362463516 134211255 /nfs/dbraw/zinc/21/12/55/134211255.db2.gz JOTUVFKVBZGORQ-STQMWFEESA-N 1 0 219.328 3.629 20 30 BHEDRO C=CCCC[NH+]1CCC(c2ccsc2)CC1 ZINC000362640841 134213450 /nfs/dbraw/zinc/21/34/50/134213450.db2.gz CFEPFQGGBJOJFW-UHFFFAOYSA-N 1 0 235.396 3.894 20 30 BHEDRO C=CCN(c1cc[nH+]c2cc(F)ccc21)C1CC1 ZINC000362650832 384763023 /nfs/dbraw/zinc/76/30/23/384763023.db2.gz WHAILRMKXGHNSN-UHFFFAOYSA-N 1 0 242.297 3.529 20 30 BHEDRO C=C(CC)C[NH+]1CCC(c2ccsc2)CC1 ZINC000362654114 534383336 /nfs/dbraw/zinc/38/33/36/534383336.db2.gz FDIONAQYJTYQPN-UHFFFAOYSA-N 1 0 235.396 3.894 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccoc1C ZINC000362918200 134214880 /nfs/dbraw/zinc/21/48/80/134214880.db2.gz MJXBHBDHIPSOPL-UHFFFAOYSA-N 1 0 221.344 3.766 20 30 BHEDRO N#CCC[N@@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000362953365 136269024 /nfs/dbraw/zinc/26/90/24/136269024.db2.gz ACGTXIYXVVFAOW-HNNXBMFYSA-N 1 0 234.387 3.725 20 30 BHEDRO N#CCC[N@@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000362953366 136268951 /nfs/dbraw/zinc/26/89/51/136268951.db2.gz ACGTXIYXVVFAOW-OAHLLOKOSA-N 1 0 234.387 3.725 20 30 BHEDRO CCCCC[C@H]1CCC[N@@H+]1CCCCC#N ZINC000362959949 136268976 /nfs/dbraw/zinc/26/89/76/136268976.db2.gz HGYCHRIMAWCOFN-AWEZNQCLSA-N 1 0 222.376 3.725 20 30 BHEDRO CCCCC[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000362959950 535123430 /nfs/dbraw/zinc/12/34/30/535123430.db2.gz HGYCHRIMAWCOFN-CQSZACIVSA-N 1 0 222.376 3.725 20 30 BHEDRO C[C@@H]1C[C@@H](c2cccs2)C[N@@H+]1CCCCC#N ZINC000363258641 136269204 /nfs/dbraw/zinc/26/92/04/136269204.db2.gz HTHPNMYJJMNZSO-CHWSQXEVSA-N 1 0 248.395 3.620 20 30 BHEDRO C[C@@H]1C[C@H](c2cccs2)C[N@@H+]1CCCCC#N ZINC000363258642 136269225 /nfs/dbraw/zinc/26/92/25/136269225.db2.gz HTHPNMYJJMNZSO-OLZOCXBDSA-N 1 0 248.395 3.620 20 30 BHEDRO C[C@H]1C[C@@H](c2cccs2)C[N@@H+]1CCCCC#N ZINC000363258643 136269173 /nfs/dbraw/zinc/26/91/73/136269173.db2.gz HTHPNMYJJMNZSO-QWHCGFSZSA-N 1 0 248.395 3.620 20 30 BHEDRO C[C@H]1C[C@H](c2cccs2)C[N@@H+]1CCCCC#N ZINC000363258644 136269162 /nfs/dbraw/zinc/26/91/62/136269162.db2.gz HTHPNMYJJMNZSO-STQMWFEESA-N 1 0 248.395 3.620 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000363264522 535006311 /nfs/dbraw/zinc/00/63/11/535006311.db2.gz ODFMARAMPAIQFX-CABCVRRESA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000363264523 535006678 /nfs/dbraw/zinc/00/66/78/535006678.db2.gz ODFMARAMPAIQFX-GJZGRUSLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000363264524 535007323 /nfs/dbraw/zinc/00/73/23/535007323.db2.gz ODFMARAMPAIQFX-HUUCEWRRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000363264525 535006793 /nfs/dbraw/zinc/00/67/93/535006793.db2.gz ODFMARAMPAIQFX-LSDHHAIUSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000363918291 347179596 /nfs/dbraw/zinc/17/95/96/347179596.db2.gz CJLNEWNECBFXKE-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000363918297 347179466 /nfs/dbraw/zinc/17/94/66/347179466.db2.gz CJLNEWNECBFXKE-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000363918298 347179063 /nfs/dbraw/zinc/17/90/63/347179063.db2.gz CJLNEWNECBFXKE-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000363918299 347179599 /nfs/dbraw/zinc/17/95/99/347179599.db2.gz CJLNEWNECBFXKE-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000364350284 347386807 /nfs/dbraw/zinc/38/68/07/347386807.db2.gz DOTKUCANXXNZRI-HNNXBMFYSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000364350285 347386835 /nfs/dbraw/zinc/38/68/35/347386835.db2.gz DOTKUCANXXNZRI-OAHLLOKOSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000364353308 347388474 /nfs/dbraw/zinc/38/84/74/347388474.db2.gz MMZVQXKKGGRWAX-AWEZNQCLSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000364353809 347388553 /nfs/dbraw/zinc/38/85/53/347388553.db2.gz MMZVQXKKGGRWAX-CQSZACIVSA-N 1 0 234.387 3.581 20 30 BHEDRO Cc1cccc(C2CC([NH2+]CCCCC#N)C2)c1 ZINC000364616109 347465477 /nfs/dbraw/zinc/46/54/77/347465477.db2.gz YTRWECDQGHQXJI-UHFFFAOYSA-N 1 0 242.366 3.525 20 30 BHEDRO C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCCCC#N ZINC000364653950 134964524 /nfs/dbraw/zinc/96/45/24/134964524.db2.gz WIDJYAUPULQHRM-GXTWGEPZSA-N 1 0 248.395 3.620 20 30 BHEDRO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1CCCCC#N ZINC000364653951 347465907 /nfs/dbraw/zinc/46/59/07/347465907.db2.gz WIDJYAUPULQHRM-JSGCOSHPSA-N 1 0 248.395 3.620 20 30 BHEDRO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1CCCCC#N ZINC000364653952 347465559 /nfs/dbraw/zinc/46/55/59/347465559.db2.gz WIDJYAUPULQHRM-OCCSQVGLSA-N 1 0 248.395 3.620 20 30 BHEDRO C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCCCC#N ZINC000364653953 347465713 /nfs/dbraw/zinc/46/57/13/347465713.db2.gz WIDJYAUPULQHRM-TZMCWYRMSA-N 1 0 248.395 3.620 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCCC12CCCC2 ZINC000365123915 534980178 /nfs/dbraw/zinc/98/01/78/534980178.db2.gz WAFQPWWTOPVAQJ-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000365432700 350278660 /nfs/dbraw/zinc/27/86/60/350278660.db2.gz NSQJGJVDFBMFDN-CABCVRRESA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000365432703 350278883 /nfs/dbraw/zinc/27/88/83/350278883.db2.gz NSQJGJVDFBMFDN-GJZGRUSLSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000365432705 350278547 /nfs/dbraw/zinc/27/85/47/350278547.db2.gz NSQJGJVDFBMFDN-HUUCEWRRSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000365432706 350278737 /nfs/dbraw/zinc/27/87/37/350278737.db2.gz NSQJGJVDFBMFDN-LSDHHAIUSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC2(CCC2)C1 ZINC000365435372 534980307 /nfs/dbraw/zinc/98/03/07/534980307.db2.gz XHFOKDDNQINQGF-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@@H]1CC2(CCC2)C[N@@H+]1CC(C)(C)CCC#N ZINC000365446281 350282779 /nfs/dbraw/zinc/28/27/79/350282779.db2.gz ZOKZUBWFANPJFG-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H]1CC2(CCC2)C[N@@H+]1CC(C)(C)CCC#N ZINC000365446282 350282494 /nfs/dbraw/zinc/28/24/94/350282494.db2.gz ZOKZUBWFANPJFG-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO N#Cc1ccc(C[N@@H+]2CCCC23CCCC3)s1 ZINC000365529953 350330569 /nfs/dbraw/zinc/33/05/69/350330569.db2.gz SNKBYVAQKJTBDV-UHFFFAOYSA-N 1 0 246.379 3.528 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC2CCC1CC2 ZINC000365618097 384908667 /nfs/dbraw/zinc/90/86/67/384908667.db2.gz DMSAOAJSOSHQAB-UHFFFAOYSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H]1CCC[C@H](c2ccccc2)[N@@H+]1CCC#N ZINC000365969047 136279490 /nfs/dbraw/zinc/27/94/90/136279490.db2.gz GZQNWEYPEGBKKW-DZGCQCFKSA-N 1 0 228.339 3.516 20 30 BHEDRO C[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CCC#N ZINC000365969050 136279559 /nfs/dbraw/zinc/27/95/59/136279559.db2.gz GZQNWEYPEGBKKW-HIFRSBDPSA-N 1 0 228.339 3.516 20 30 BHEDRO C[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1CCC#N ZINC000365969051 136279542 /nfs/dbraw/zinc/27/95/42/136279542.db2.gz GZQNWEYPEGBKKW-UKRRQHHQSA-N 1 0 228.339 3.516 20 30 BHEDRO C[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CCC#N ZINC000365969053 136279510 /nfs/dbraw/zinc/27/95/10/136279510.db2.gz GZQNWEYPEGBKKW-ZFWWWQNUSA-N 1 0 228.339 3.516 20 30 BHEDRO C[C@@H]1CC[C@@]2(CC[N@H+](CCCC(C)(C)C#N)C2)C1 ZINC000367832031 134216420 /nfs/dbraw/zinc/21/64/20/134216420.db2.gz ORKHYXWRYJYNPS-GDBMZVCRSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CC[C@@]2(CC[N@H+](CCCC(C)(C)C#N)C2)C1 ZINC000367832036 134216418 /nfs/dbraw/zinc/21/64/18/134216418.db2.gz ORKHYXWRYJYNPS-GOEBONIOSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CC[C@]2(CC[N@H+](CCCC(C)(C)C#N)C2)C1 ZINC000367832037 134216411 /nfs/dbraw/zinc/21/64/11/134216411.db2.gz ORKHYXWRYJYNPS-HOCLYGCPSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CC[C@]2(CC[N@H+](CCCC(C)(C)C#N)C2)C1 ZINC000367832039 134216382 /nfs/dbraw/zinc/21/63/82/134216382.db2.gz ORKHYXWRYJYNPS-ZBFHGGJFSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000368029159 534761259 /nfs/dbraw/zinc/76/12/59/534761259.db2.gz ICAJPWYKIITNAM-NFOMZHRRSA-N 1 0 244.382 3.662 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000368029160 534751937 /nfs/dbraw/zinc/75/19/37/534751937.db2.gz ICAJPWYKIITNAM-WLYUNCDWSA-N 1 0 244.382 3.662 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1CCC(C2CC2)CC1 ZINC000368336366 534980088 /nfs/dbraw/zinc/98/00/88/534980088.db2.gz NAYMLEUTNOMPCY-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@H]1c1nccn1C ZINC000368403434 534986226 /nfs/dbraw/zinc/98/62/26/534986226.db2.gz RCSDSGYPKBPUBC-AWEZNQCLSA-N 1 0 249.402 3.527 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@H]1c1nccn1C ZINC000368403435 534986160 /nfs/dbraw/zinc/98/61/60/534986160.db2.gz RCSDSGYPKBPUBC-CQSZACIVSA-N 1 0 249.402 3.527 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000368405379 534983315 /nfs/dbraw/zinc/98/33/15/534983315.db2.gz RVAKFXQXGVKBRW-AWEZNQCLSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000368405380 534982191 /nfs/dbraw/zinc/98/21/91/534982191.db2.gz RVAKFXQXGVKBRW-CQSZACIVSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC12CCCCC2 ZINC000368470463 534995239 /nfs/dbraw/zinc/99/52/39/534995239.db2.gz MHWOYKJULCPVGP-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO CCCCCCC[NH2+]C1(C2CC2)CCOCC1 ZINC000368489512 134218607 /nfs/dbraw/zinc/21/86/07/134218607.db2.gz BQNKGEQVLUXPSL-UHFFFAOYSA-N 1 0 239.403 3.506 20 30 BHEDRO CC(C)(CCC#N)C[NH+]1CCC2(CCC2)CC1 ZINC000368590447 534995777 /nfs/dbraw/zinc/99/57/77/534995777.db2.gz CUUSTECNFJFFBJ-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368693322 534981031 /nfs/dbraw/zinc/98/10/31/534981031.db2.gz RKWCAJWZPDKRFA-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCCC#N)cc1 ZINC000368877099 134220519 /nfs/dbraw/zinc/22/05/19/134220519.db2.gz OGJJBODRUJEVDY-INIZCTEOSA-N 1 0 242.366 3.826 20 30 BHEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCCCC#N)cc1 ZINC000368877100 134220536 /nfs/dbraw/zinc/22/05/36/134220536.db2.gz OGJJBODRUJEVDY-MRXNPFEDSA-N 1 0 242.366 3.826 20 30 BHEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCCC3)s1 ZINC000369325949 388685513 /nfs/dbraw/zinc/68/55/13/388685513.db2.gz BLDAAFDBDPOUQU-UHFFFAOYSA-N 1 0 246.379 3.528 20 30 BHEDRO CC1CCC2(CC[N@H+](CCCCC#N)C2)CC1 ZINC000369329578 134222539 /nfs/dbraw/zinc/22/25/39/134222539.db2.gz MBTOHZDMOFRVJS-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC2(CC2)C1 ZINC000369720847 387065389 /nfs/dbraw/zinc/06/53/89/387065389.db2.gz BMNLXFISWCVCKL-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000371207578 534985696 /nfs/dbraw/zinc/98/56/96/534985696.db2.gz LDAZJIDKQXOTTG-CYBMUJFWSA-N 1 0 246.354 3.746 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000371207579 534985610 /nfs/dbraw/zinc/98/56/10/534985610.db2.gz LDAZJIDKQXOTTG-ZDUSSCGKSA-N 1 0 246.354 3.746 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1C[C@H]2CCCCCC[C@@H]21 ZINC000371208310 534984694 /nfs/dbraw/zinc/98/46/94/534984694.db2.gz HSGKUARVPOKBPC-CABCVRRESA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCCCCC[C@@H]21 ZINC000371208311 534984666 /nfs/dbraw/zinc/98/46/66/534984666.db2.gz HSGKUARVPOKBPC-GJZGRUSLSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1C[C@H]2CCCCCC[C@H]21 ZINC000371208312 534984311 /nfs/dbraw/zinc/98/43/11/534984311.db2.gz HSGKUARVPOKBPC-HUUCEWRRSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCCCCC[C@H]21 ZINC000371208314 534984879 /nfs/dbraw/zinc/98/48/79/534984879.db2.gz HSGKUARVPOKBPC-LSDHHAIUSA-N 1 0 248.414 3.971 20 30 BHEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)CC12CCC2 ZINC000371432537 134228830 /nfs/dbraw/zinc/22/88/30/134228830.db2.gz KEMDOHJTLVSMOV-AWEZNQCLSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)CC12CCC2 ZINC000371432540 134228854 /nfs/dbraw/zinc/22/88/54/134228854.db2.gz KEMDOHJTLVSMOV-CQSZACIVSA-N 1 0 248.414 3.828 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000371537700 534986121 /nfs/dbraw/zinc/98/61/21/534986121.db2.gz JGEXPDLDTPANBP-CYBMUJFWSA-N 1 0 235.375 3.517 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000371537701 534985134 /nfs/dbraw/zinc/98/51/34/534985134.db2.gz JGEXPDLDTPANBP-ZDUSSCGKSA-N 1 0 235.375 3.517 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@H]1/C=C/c1cccs1 ZINC000372025139 134230222 /nfs/dbraw/zinc/23/02/22/134230222.db2.gz JMAPJLDJMPLVBN-GWJCSSMESA-N 1 0 246.379 3.529 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@@H]1/C=C/c1cccs1 ZINC000372025142 134230055 /nfs/dbraw/zinc/23/00/55/134230055.db2.gz JMAPJLDJMPLVBN-SBDDDAINSA-N 1 0 246.379 3.529 20 30 BHEDRO N#CCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000372621542 134232303 /nfs/dbraw/zinc/23/23/03/134232303.db2.gz WAGRFENWJMBNDG-HNNXBMFYSA-N 1 0 228.339 3.517 20 30 BHEDRO N#CCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000372621551 134232407 /nfs/dbraw/zinc/23/24/07/134232407.db2.gz WAGRFENWJMBNDG-OAHLLOKOSA-N 1 0 228.339 3.517 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1CCC2(CC2)CC1 ZINC000373037396 534980908 /nfs/dbraw/zinc/98/09/08/534980908.db2.gz WHGZOCOCGRWKPM-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC12CCC2 ZINC000373105008 534980149 /nfs/dbraw/zinc/98/01/49/534980149.db2.gz TZLMBBRCSUMHTC-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC2(CCC2)C1 ZINC000373412613 534980509 /nfs/dbraw/zinc/98/05/09/534980509.db2.gz MTEUATPHZDHOHM-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCCC2(CCC2)C1 ZINC000373430036 534983224 /nfs/dbraw/zinc/98/32/24/534983224.db2.gz FLCCKRGVKBZPMP-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCCC2(CCC2)C1 ZINC000373483805 534995403 /nfs/dbraw/zinc/99/54/03/534995403.db2.gz JZRNTJBZOZZPLL-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000374174069 134236166 /nfs/dbraw/zinc/23/61/66/134236166.db2.gz IMACMZCZDFNEBX-GDBMZVCRSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000374174072 134236013 /nfs/dbraw/zinc/23/60/13/134236013.db2.gz IMACMZCZDFNEBX-GOEBONIOSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000374174073 134236079 /nfs/dbraw/zinc/23/60/79/134236079.db2.gz IMACMZCZDFNEBX-HOCLYGCPSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000374174074 134235973 /nfs/dbraw/zinc/23/59/73/134235973.db2.gz IMACMZCZDFNEBX-ZBFHGGJFSA-N 1 0 242.366 3.558 20 30 BHEDRO C[N@H+](CCCCC#N)C1CC(c2ccccc2)C1 ZINC000374562782 536328932 /nfs/dbraw/zinc/32/89/32/536328932.db2.gz XMYMMWYFOGJMTJ-UHFFFAOYSA-N 1 0 242.366 3.558 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374618219 398323874 /nfs/dbraw/zinc/32/38/74/398323874.db2.gz KSFUBROWEUPCHB-LLVKDONJSA-N 1 0 247.304 3.617 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374618220 398323911 /nfs/dbraw/zinc/32/39/11/398323911.db2.gz KSFUBROWEUPCHB-NSHDSACASA-N 1 0 247.304 3.617 20 30 BHEDRO N#CCCCC[N@@H+]1CC[C@@H](CC2CCCC2)C1 ZINC000375256459 134238763 /nfs/dbraw/zinc/23/87/63/134238763.db2.gz RLDGWPVZJKMHKL-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CCCCC[N@@H+]1CC[C@H](CC2CCCC2)C1 ZINC000375256460 134238520 /nfs/dbraw/zinc/23/85/20/134238520.db2.gz RLDGWPVZJKMHKL-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO Cc1cc([C@@H]2CC[N@H+](CCCCC#N)C2)cs1 ZINC000375405347 134239416 /nfs/dbraw/zinc/23/94/16/134239416.db2.gz SHWCMSFGHCMPML-CYBMUJFWSA-N 1 0 248.395 3.540 20 30 BHEDRO Cc1cc([C@H]2CC[N@H+](CCCCC#N)C2)cs1 ZINC000375405352 134239392 /nfs/dbraw/zinc/23/93/92/134239392.db2.gz SHWCMSFGHCMPML-ZDUSSCGKSA-N 1 0 248.395 3.540 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000377604711 534980193 /nfs/dbraw/zinc/98/01/93/534980193.db2.gz IRLKIZXGPYHTOY-HNNXBMFYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000377604712 534979964 /nfs/dbraw/zinc/97/99/64/534979964.db2.gz IRLKIZXGPYHTOY-OAHLLOKOSA-N 1 0 248.414 3.828 20 30 BHEDRO N#CCCCC[NH+]1CCC(C2CCCC2)CC1 ZINC000377922551 134245335 /nfs/dbraw/zinc/24/53/35/134245335.db2.gz XXPFXHUEXGCNDR-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CCCCC[N@@H+]1CCC2(C1)CCCCCC2 ZINC000377994012 134245369 /nfs/dbraw/zinc/24/53/69/134245369.db2.gz DVMWAJOLRILYQO-UHFFFAOYSA-N 1 0 234.387 3.727 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000378141718 534995898 /nfs/dbraw/zinc/99/58/98/534995898.db2.gz QQUYGPTUYOEAAV-AWEZNQCLSA-N 1 0 246.398 3.581 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000378141719 534996744 /nfs/dbraw/zinc/99/67/44/534996744.db2.gz QQUYGPTUYOEAAV-CQSZACIVSA-N 1 0 246.398 3.581 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000378348285 534998306 /nfs/dbraw/zinc/99/83/06/534998306.db2.gz XYWQWNAIGYCEMU-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000378348286 534998748 /nfs/dbraw/zinc/99/87/48/534998748.db2.gz XYWQWNAIGYCEMU-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000378348287 534997750 /nfs/dbraw/zinc/99/77/50/534997750.db2.gz XYWQWNAIGYCEMU-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000378348288 534998829 /nfs/dbraw/zinc/99/88/29/534998829.db2.gz XYWQWNAIGYCEMU-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO N#CCCCC[N@@H+]1CCCC12CCCCCC2 ZINC000378467399 134246190 /nfs/dbraw/zinc/24/61/90/134246190.db2.gz SCKXYBMDQRXRHJ-UHFFFAOYSA-N 1 0 234.387 3.869 20 30 BHEDRO C#CCCCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000378661688 712356248 /nfs/dbraw/zinc/35/62/48/712356248.db2.gz AEEDSVIQKOVDHZ-UHFFFAOYSA-N 1 0 235.758 3.542 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000378665183 712356308 /nfs/dbraw/zinc/35/63/08/712356308.db2.gz FPSNNJCRLDPGGW-UBHSHLNASA-N 1 0 235.758 3.521 20 30 BHEDRO C=CCCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000378719323 346816305 /nfs/dbraw/zinc/81/63/05/346816305.db2.gz DZOFECZOUOULAQ-UHFFFAOYSA-N 1 0 223.747 3.704 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000378731116 388489272 /nfs/dbraw/zinc/48/92/72/388489272.db2.gz AVNZZPVHDWLCCF-JTQLQIEISA-N 1 0 238.400 3.704 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000378731117 388489678 /nfs/dbraw/zinc/48/96/78/388489678.db2.gz AVNZZPVHDWLCCF-SNVBAGLBSA-N 1 0 238.400 3.704 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378732505 346820214 /nfs/dbraw/zinc/82/02/14/346820214.db2.gz LMUAEQCVRZVTFQ-FQUUOJAGSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378732506 346820580 /nfs/dbraw/zinc/82/05/80/346820580.db2.gz LMUAEQCVRZVTFQ-IGQOVBAYSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378732507 346820495 /nfs/dbraw/zinc/82/04/95/346820495.db2.gz LMUAEQCVRZVTFQ-RQJABVFESA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378732508 346820659 /nfs/dbraw/zinc/82/06/59/346820659.db2.gz LMUAEQCVRZVTFQ-XJFOESAGSA-N 1 0 207.361 3.509 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378743210 345550084 /nfs/dbraw/zinc/55/00/84/345550084.db2.gz HZKMQZJJQJOJOY-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000378743213 345549933 /nfs/dbraw/zinc/54/99/33/345549933.db2.gz HZKMQZJJQJOJOY-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000378743216 345549851 /nfs/dbraw/zinc/54/98/51/345549851.db2.gz HZKMQZJJQJOJOY-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000378743219 346821303 /nfs/dbraw/zinc/82/13/03/346821303.db2.gz HZKMQZJJQJOJOY-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000378771597 397830110 /nfs/dbraw/zinc/83/01/10/397830110.db2.gz CINXEBJCKOXISI-NEPJUHHUSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000378771600 397830425 /nfs/dbraw/zinc/83/04/25/397830425.db2.gz CINXEBJCKOXISI-NWDGAFQWSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000378771602 397830546 /nfs/dbraw/zinc/83/05/46/397830546.db2.gz CINXEBJCKOXISI-RYUDHWBXSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000378771605 397830454 /nfs/dbraw/zinc/83/04/54/397830454.db2.gz CINXEBJCKOXISI-VXGBXAGGSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)CCC1CC1 ZINC000378772444 388499840 /nfs/dbraw/zinc/49/98/40/388499840.db2.gz CTCGBTWDPZNLNP-GFCCVEGCSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CCC1CC1 ZINC000378772446 388500551 /nfs/dbraw/zinc/50/05/51/388500551.db2.gz CTCGBTWDPZNLNP-LBPRGKRZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000378782612 346833879 /nfs/dbraw/zinc/83/38/79/346833879.db2.gz IEAHPOAVDHUPQM-CHWSQXEVSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000378782613 346834165 /nfs/dbraw/zinc/83/41/65/346834165.db2.gz IEAHPOAVDHUPQM-OLZOCXBDSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000378782614 346834063 /nfs/dbraw/zinc/83/40/63/346834063.db2.gz IEAHPOAVDHUPQM-QWHCGFSZSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000378782615 346834076 /nfs/dbraw/zinc/83/40/76/346834076.db2.gz IEAHPOAVDHUPQM-STQMWFEESA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378784422 712361119 /nfs/dbraw/zinc/36/11/19/712361119.db2.gz JAMCMJGUMQIAPG-NEPJUHHUSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378784423 712361459 /nfs/dbraw/zinc/36/14/59/712361459.db2.gz JAMCMJGUMQIAPG-NWDGAFQWSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378784424 712361256 /nfs/dbraw/zinc/36/12/56/712361256.db2.gz JAMCMJGUMQIAPG-RYUDHWBXSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378784425 712361430 /nfs/dbraw/zinc/36/14/30/712361430.db2.gz JAMCMJGUMQIAPG-VXGBXAGGSA-N 1 0 221.319 3.749 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C)oc1C ZINC000378792360 712361896 /nfs/dbraw/zinc/36/18/96/712361896.db2.gz OJCJOIVQVCWBBX-UHFFFAOYSA-N 1 0 221.344 3.588 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000378792655 712362111 /nfs/dbraw/zinc/36/21/11/712362111.db2.gz NXBZCACSYSFYDK-LLVKDONJSA-N 1 0 235.758 3.967 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000378792666 712361815 /nfs/dbraw/zinc/36/18/15/712361815.db2.gz NXBZCACSYSFYDK-NSHDSACASA-N 1 0 235.758 3.967 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378803307 712361835 /nfs/dbraw/zinc/36/18/35/712361835.db2.gz VNCFQEWCHDBBQF-BFHYXJOUSA-N 1 0 209.377 3.735 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378803308 712361832 /nfs/dbraw/zinc/36/18/32/712361832.db2.gz VNCFQEWCHDBBQF-MJBXVCDLSA-N 1 0 209.377 3.735 20 30 BHEDRO CCCC(CCC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378803524 346838760 /nfs/dbraw/zinc/83/87/60/346838760.db2.gz WKISKSHVVLVEOH-JSGCOSHPSA-N 1 0 222.376 3.627 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000378847682 346845236 /nfs/dbraw/zinc/84/52/36/346845236.db2.gz BAMOMSVVBJMCDH-CYBMUJFWSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC12CCCC2 ZINC000378847690 346845522 /nfs/dbraw/zinc/84/55/22/346845522.db2.gz BAMOMSVVBJMCDH-ZDUSSCGKSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000378847915 388521768 /nfs/dbraw/zinc/52/17/68/388521768.db2.gz BGUVVBBRNQBIEV-KBPBESRZSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000378847916 388522143 /nfs/dbraw/zinc/52/21/43/388522143.db2.gz BGUVVBBRNQBIEV-KGLIPLIRSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000378847917 388522121 /nfs/dbraw/zinc/52/21/21/388522121.db2.gz BGUVVBBRNQBIEV-UONOGXRCSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000378847918 388522472 /nfs/dbraw/zinc/52/24/72/388522472.db2.gz BGUVVBBRNQBIEV-ZIAGYGMSSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C(C)C)C1CC1 ZINC000378848136 346846118 /nfs/dbraw/zinc/84/61/18/346846118.db2.gz BMMXGKJHTFHGNB-CYBMUJFWSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C(C)C)C1CC1 ZINC000378848137 346846124 /nfs/dbraw/zinc/84/61/24/346846124.db2.gz BMMXGKJHTFHGNB-ZDUSSCGKSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000378848674 346846878 /nfs/dbraw/zinc/84/68/78/346846878.db2.gz CCMSFZKULFYLOY-KBPBESRZSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000378848675 346846708 /nfs/dbraw/zinc/84/67/08/346846708.db2.gz CCMSFZKULFYLOY-KGLIPLIRSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000378848676 346846554 /nfs/dbraw/zinc/84/65/54/346846554.db2.gz CCMSFZKULFYLOY-UONOGXRCSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000378848677 346846504 /nfs/dbraw/zinc/84/65/04/346846504.db2.gz CCMSFZKULFYLOY-ZIAGYGMSSA-N 1 0 221.388 3.757 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000378849222 346846829 /nfs/dbraw/zinc/84/68/29/346846829.db2.gz CQKDEHMEHIWXKO-UHFFFAOYSA-N 1 0 215.340 3.620 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378849436 712366391 /nfs/dbraw/zinc/36/63/91/712366391.db2.gz CWCIKIOZNPYKEG-GFCCVEGCSA-N 1 0 221.319 3.751 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378849438 712366450 /nfs/dbraw/zinc/36/64/50/712366450.db2.gz CWCIKIOZNPYKEG-LBPRGKRZSA-N 1 0 221.319 3.751 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)c1ccccc1C ZINC000378857113 388522586 /nfs/dbraw/zinc/52/25/86/388522586.db2.gz LIBTZOZSOABDMW-UHFFFAOYSA-N 1 0 217.356 3.786 20 30 BHEDRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378857942 712363725 /nfs/dbraw/zinc/36/37/25/712363725.db2.gz MBMKKMGJECPRCZ-IHRRRGAJSA-N 1 0 222.376 3.627 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)c1ccccc1C ZINC000378859148 346847690 /nfs/dbraw/zinc/84/76/90/346847690.db2.gz NIVDGDCDIRZHDJ-UHFFFAOYSA-N 1 0 217.356 3.786 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000378863732 346849043 /nfs/dbraw/zinc/84/90/43/346849043.db2.gz WCRKEAGAZXLGLS-GZBFAFLISA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000378863733 346849080 /nfs/dbraw/zinc/84/90/80/346849080.db2.gz WCRKEAGAZXLGLS-NFAWXSAZSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccsc1C ZINC000378866046 346849546 /nfs/dbraw/zinc/84/95/46/346849546.db2.gz AUHYLEYADBHABD-LLVKDONJSA-N 1 0 223.385 3.891 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccsc1C ZINC000378866047 346849635 /nfs/dbraw/zinc/84/96/35/346849635.db2.gz AUHYLEYADBHABD-NSHDSACASA-N 1 0 223.385 3.891 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC(C)(F)F ZINC000378869807 712365767 /nfs/dbraw/zinc/36/57/67/712365767.db2.gz KVAAEBZUDOXGLM-LLVKDONJSA-N 1 0 219.319 3.756 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC(C)(F)F ZINC000378869808 712365265 /nfs/dbraw/zinc/36/52/65/712365265.db2.gz KVAAEBZUDOXGLM-NSHDSACASA-N 1 0 219.319 3.756 20 30 BHEDRO CCCC[C@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378874459 346850909 /nfs/dbraw/zinc/85/09/09/346850909.db2.gz WQSKURWTXCMHBT-IHRRRGAJSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000379270022 712371726 /nfs/dbraw/zinc/37/17/26/712371726.db2.gz UVSKZLHHOIUMEV-CABCVRRESA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000379270023 712371874 /nfs/dbraw/zinc/37/18/74/712371874.db2.gz UVSKZLHHOIUMEV-GJZGRUSLSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000379270024 712371799 /nfs/dbraw/zinc/37/17/99/712371799.db2.gz UVSKZLHHOIUMEV-HUUCEWRRSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000379270025 712371472 /nfs/dbraw/zinc/37/14/72/712371472.db2.gz UVSKZLHHOIUMEV-LSDHHAIUSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000379296601 712372467 /nfs/dbraw/zinc/37/24/67/712372467.db2.gz NAENCVWKMBLSFE-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000379296602 712372210 /nfs/dbraw/zinc/37/22/10/712372210.db2.gz NAENCVWKMBLSFE-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000379296603 712372399 /nfs/dbraw/zinc/37/23/99/712372399.db2.gz NAENCVWKMBLSFE-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000379296604 712372160 /nfs/dbraw/zinc/37/21/60/712372160.db2.gz NAENCVWKMBLSFE-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000379370693 712378651 /nfs/dbraw/zinc/37/86/51/712378651.db2.gz RYSARMFFHYYHTE-JTQLQIEISA-N 1 0 203.757 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)CCC(C)(C)C ZINC000379370694 711800738 /nfs/dbraw/zinc/80/07/38/711800738.db2.gz RYSARMFFHYYHTE-SNVBAGLBSA-N 1 0 203.757 3.543 20 30 BHEDRO CCCCCCC[NH2+][C@@]1(CCC)CCOC1 ZINC000379428767 712384280 /nfs/dbraw/zinc/38/42/80/712384280.db2.gz DBMKIASWNHRUSM-AWEZNQCLSA-N 1 0 227.392 3.506 20 30 BHEDRO CCCCCCC[NH2+][C@]1(CCC)CCOC1 ZINC000379428775 712384104 /nfs/dbraw/zinc/38/41/04/712384104.db2.gz DBMKIASWNHRUSM-CQSZACIVSA-N 1 0 227.392 3.506 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cscc1Cl ZINC000379547009 538978364 /nfs/dbraw/zinc/97/83/64/538978364.db2.gz XPXMROKCPOOMHN-JTQLQIEISA-N 1 0 229.776 3.846 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cscc1Cl ZINC000379547010 538978412 /nfs/dbraw/zinc/97/84/12/538978412.db2.gz XPXMROKCPOOMHN-SNVBAGLBSA-N 1 0 229.776 3.846 20 30 BHEDRO C[C@@H]([NH2+]CC1=CCCCC1)c1cccc(C#N)c1 ZINC000379577712 343579166 /nfs/dbraw/zinc/57/91/66/343579166.db2.gz CPXBADYDAPVPDR-CYBMUJFWSA-N 1 0 240.350 3.709 20 30 BHEDRO C[C@H]([NH2+]CC1=CCCCC1)c1cccc(C#N)c1 ZINC000379577715 343579170 /nfs/dbraw/zinc/57/91/70/343579170.db2.gz CPXBADYDAPVPDR-ZDUSSCGKSA-N 1 0 240.350 3.709 20 30 BHEDRO C[C@@H]([NH2+]CC1=CCCCC1)c1ccc(C#N)cc1 ZINC000379579910 343579148 /nfs/dbraw/zinc/57/91/48/343579148.db2.gz IGOWAHJRGUEIPM-CYBMUJFWSA-N 1 0 240.350 3.709 20 30 BHEDRO C[C@H]([NH2+]CC1=CCCCC1)c1ccc(C#N)cc1 ZINC000379579912 343579267 /nfs/dbraw/zinc/57/92/67/343579267.db2.gz IGOWAHJRGUEIPM-ZDUSSCGKSA-N 1 0 240.350 3.709 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccsc1 ZINC000379593165 359558208 /nfs/dbraw/zinc/55/82/08/359558208.db2.gz BDPJUFVNIKHRHL-LLVKDONJSA-N 1 0 209.358 3.755 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccsc1 ZINC000379593166 359558526 /nfs/dbraw/zinc/55/85/26/359558526.db2.gz BDPJUFVNIKHRHL-NSHDSACASA-N 1 0 209.358 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccsc1Cl ZINC000379596421 359558229 /nfs/dbraw/zinc/55/82/29/359558229.db2.gz FPPXCUGHAALCIF-JTQLQIEISA-N 1 0 229.776 3.846 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccsc1Cl ZINC000379596425 359558188 /nfs/dbraw/zinc/55/81/88/359558188.db2.gz FPPXCUGHAALCIF-SNVBAGLBSA-N 1 0 229.776 3.846 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)c1cccs1 ZINC000379641213 359575571 /nfs/dbraw/zinc/57/55/71/359575571.db2.gz VBLJOCIZAGFBII-UHFFFAOYSA-N 1 0 209.358 3.539 20 30 BHEDRO CC#CCC[NH2+]Cc1csc(Cl)c1Cl ZINC000379653638 359575467 /nfs/dbraw/zinc/57/54/67/359575467.db2.gz IEDSNTRIIQUYEN-UHFFFAOYSA-N 1 0 248.178 3.558 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000379717018 361353175 /nfs/dbraw/zinc/35/31/75/361353175.db2.gz OWFGPJWKWKVODX-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000379717020 361353250 /nfs/dbraw/zinc/35/32/50/361353250.db2.gz OWFGPJWKWKVODX-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000379726257 361361741 /nfs/dbraw/zinc/36/17/41/361361741.db2.gz UQCSLMHDZCAWJN-CYBMUJFWSA-N 1 0 229.367 3.792 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000379726258 361361610 /nfs/dbraw/zinc/36/16/10/361361610.db2.gz UQCSLMHDZCAWJN-ZDUSSCGKSA-N 1 0 229.367 3.792 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000379729340 361368734 /nfs/dbraw/zinc/36/87/34/361368734.db2.gz HPRLEUIHUMQVCO-UHFFFAOYSA-N 1 0 225.335 3.896 20 30 BHEDRO C=CCCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000379732070 411318551 /nfs/dbraw/zinc/31/85/51/411318551.db2.gz XAOIYBJRUDAXLB-HNNXBMFYSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000379732071 411318800 /nfs/dbraw/zinc/31/88/00/411318800.db2.gz XAOIYBJRUDAXLB-OAHLLOKOSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C2(C(C)C)CC2)cc1 ZINC000379738396 361382995 /nfs/dbraw/zinc/38/29/95/361382995.db2.gz VZXAAWRPEWCQJO-UHFFFAOYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000379745678 361443025 /nfs/dbraw/zinc/44/30/25/361443025.db2.gz UGXJESREMSBCMY-UHFFFAOYSA-N 1 0 229.367 3.517 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000379752295 361658896 /nfs/dbraw/zinc/65/88/96/361658896.db2.gz OKIGCJCHZMREAM-HNNXBMFYSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000379752296 361659012 /nfs/dbraw/zinc/65/90/12/361659012.db2.gz OKIGCJCHZMREAM-OAHLLOKOSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccccc1OC ZINC000379768049 364779967 /nfs/dbraw/zinc/77/99/67/364779967.db2.gz MGSULHZLWRZBTP-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccccc1OC ZINC000379768050 364780670 /nfs/dbraw/zinc/78/06/70/364780670.db2.gz MGSULHZLWRZBTP-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000379769781 364824153 /nfs/dbraw/zinc/82/41/53/364824153.db2.gz PICJWSIMLSQWNM-UHFFFAOYSA-N 1 0 228.339 3.614 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000379769830 364824519 /nfs/dbraw/zinc/82/45/19/364824519.db2.gz PLRHQLSFQCKXDA-UHFFFAOYSA-N 1 0 243.272 3.550 20 30 BHEDRO C=CCCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000379776469 365196144 /nfs/dbraw/zinc/19/61/44/365196144.db2.gz DGAKCLITLFVYNG-AWEZNQCLSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000379776473 365195855 /nfs/dbraw/zinc/19/58/55/365195855.db2.gz DGAKCLITLFVYNG-CQSZACIVSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000379782895 365260255 /nfs/dbraw/zinc/26/02/55/365260255.db2.gz DAPLUDWVJVZBPP-KBPBESRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000379782898 365259824 /nfs/dbraw/zinc/25/98/24/365259824.db2.gz DAPLUDWVJVZBPP-KGLIPLIRSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000379782900 365259604 /nfs/dbraw/zinc/25/96/04/365259604.db2.gz DAPLUDWVJVZBPP-UONOGXRCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000379782903 365259490 /nfs/dbraw/zinc/25/94/90/365259490.db2.gz DAPLUDWVJVZBPP-ZIAGYGMSSA-N 1 0 207.361 3.511 20 30 BHEDRO CC1(C#N)CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000379792952 373063166 /nfs/dbraw/zinc/06/31/66/373063166.db2.gz CCHOVYCOMKFBDU-AWEZNQCLSA-N 1 0 232.371 3.501 20 30 BHEDRO CC1(C#N)CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000379792960 373063446 /nfs/dbraw/zinc/06/34/46/373063446.db2.gz CCHOVYCOMKFBDU-CQSZACIVSA-N 1 0 232.371 3.501 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000379808585 365276793 /nfs/dbraw/zinc/27/67/93/365276793.db2.gz YDGPDOGOMAGJCK-GXTWGEPZSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000379808586 365276967 /nfs/dbraw/zinc/27/69/67/365276967.db2.gz YDGPDOGOMAGJCK-JSGCOSHPSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000379808587 365276398 /nfs/dbraw/zinc/27/63/98/365276398.db2.gz YDGPDOGOMAGJCK-OCCSQVGLSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000379808588 365276188 /nfs/dbraw/zinc/27/61/88/365276188.db2.gz YDGPDOGOMAGJCK-TZMCWYRMSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000379820766 365282420 /nfs/dbraw/zinc/28/24/20/365282420.db2.gz SPNKNNMQZGFKNJ-GXTWGEPZSA-N 1 0 207.361 3.535 20 30 BHEDRO C=CCCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000379820767 365282045 /nfs/dbraw/zinc/28/20/45/365282045.db2.gz SPNKNNMQZGFKNJ-JSGCOSHPSA-N 1 0 207.361 3.535 20 30 BHEDRO C=CCCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000379820768 365281723 /nfs/dbraw/zinc/28/17/23/365281723.db2.gz SPNKNNMQZGFKNJ-OCCSQVGLSA-N 1 0 207.361 3.535 20 30 BHEDRO C=CCCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000379820769 365282055 /nfs/dbraw/zinc/28/20/55/365282055.db2.gz SPNKNNMQZGFKNJ-TZMCWYRMSA-N 1 0 207.361 3.535 20 30 BHEDRO C=CCCC[NH2+]Cc1cc(Cl)ccc1F ZINC000379824661 365283089 /nfs/dbraw/zinc/28/30/89/365283089.db2.gz VLYOZKUFDNYTBW-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCc2ccccc21 ZINC000379844286 365313867 /nfs/dbraw/zinc/31/38/67/365313867.db2.gz HUBJMQQABDBYSM-HNNXBMFYSA-N 1 0 229.367 3.866 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000379844290 365314314 /nfs/dbraw/zinc/31/43/14/365314314.db2.gz HUBJMQQABDBYSM-OAHLLOKOSA-N 1 0 229.367 3.866 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000379867345 365330771 /nfs/dbraw/zinc/33/07/71/365330771.db2.gz NMIZPIQDQPCHRZ-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000379867350 365329976 /nfs/dbraw/zinc/32/99/76/365329976.db2.gz NMIZPIQDQPCHRZ-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cccnc1 ZINC000379895428 712621723 /nfs/dbraw/zinc/62/17/23/712621723.db2.gz BWHBSSPXSQKTNK-CQSZACIVSA-N 1 0 232.371 3.869 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(C)c1 ZINC000379905778 365521848 /nfs/dbraw/zinc/52/18/48/365521848.db2.gz KCFOEXUDPSDYCW-UHFFFAOYSA-N 1 0 217.356 3.687 20 30 BHEDRO C=CCCC[NH2+]Cc1cccc(Cl)c1F ZINC000379917910 365704120 /nfs/dbraw/zinc/70/41/20/365704120.db2.gz QHZRDOHZDJWUOV-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000379918935 343655402 /nfs/dbraw/zinc/65/54/02/343655402.db2.gz PQOQQENOLHSZLF-CYBMUJFWSA-N 1 0 230.355 3.569 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000379918937 343655368 /nfs/dbraw/zinc/65/53/68/343655368.db2.gz PQOQQENOLHSZLF-ZDUSSCGKSA-N 1 0 230.355 3.569 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000379920413 365735212 /nfs/dbraw/zinc/73/52/12/365735212.db2.gz HDSNCHSBNGUDCE-RFQIPJPRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000379920415 365735675 /nfs/dbraw/zinc/73/56/75/365735675.db2.gz HDSNCHSBNGUDCE-XDQVBPFNSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000379920417 365735681 /nfs/dbraw/zinc/73/56/81/365735681.db2.gz HDSNCHSBNGUDCE-YIYPIFLZSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000379920419 365735891 /nfs/dbraw/zinc/73/58/91/365735891.db2.gz HDSNCHSBNGUDCE-ZOBORPQBSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)Cc1cccs1 ZINC000379920737 538981416 /nfs/dbraw/zinc/98/14/16/538981416.db2.gz HKCWHDIUYBYBSE-GFCCVEGCSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)Cc1cccs1 ZINC000379920739 538462277 /nfs/dbraw/zinc/46/22/77/538462277.db2.gz HKCWHDIUYBYBSE-LBPRGKRZSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000379937791 365749101 /nfs/dbraw/zinc/74/91/01/365749101.db2.gz WMAFDWMEUWHIGT-GFCCVEGCSA-N 1 0 221.344 3.841 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000379937799 365748472 /nfs/dbraw/zinc/74/84/72/365748472.db2.gz WMAFDWMEUWHIGT-LBPRGKRZSA-N 1 0 221.344 3.841 20 30 BHEDRO C=CCCCCCC[NH2+]CC1(SC)CC1 ZINC000379940890 712634363 /nfs/dbraw/zinc/63/43/63/712634363.db2.gz YWYMCUCLOBADSL-UHFFFAOYSA-N 1 0 227.417 3.608 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CC ZINC000379946425 365756975 /nfs/dbraw/zinc/75/69/75/365756975.db2.gz QXXXAJPXPKUFSK-BFHYXJOUSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CC ZINC000379946426 365757436 /nfs/dbraw/zinc/75/74/36/365757436.db2.gz QXXXAJPXPKUFSK-IHRRRGAJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CC ZINC000379946427 365757266 /nfs/dbraw/zinc/75/72/66/365757266.db2.gz QXXXAJPXPKUFSK-MELADBBJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CC ZINC000379946428 365756962 /nfs/dbraw/zinc/75/69/62/365756962.db2.gz QXXXAJPXPKUFSK-MJBXVCDLSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000379948048 365760411 /nfs/dbraw/zinc/76/04/11/365760411.db2.gz RSBGVRCEVJGSPF-AGIUHOORSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000379948051 365759925 /nfs/dbraw/zinc/75/99/25/365759925.db2.gz RSBGVRCEVJGSPF-AVGNSLFASA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000379948056 365760329 /nfs/dbraw/zinc/76/03/29/365760329.db2.gz RSBGVRCEVJGSPF-FRRDWIJNSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000379948057 365760060 /nfs/dbraw/zinc/76/00/60/365760060.db2.gz RSBGVRCEVJGSPF-RWMBFGLXSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C1CCC(C)CC1 ZINC000379970497 365785141 /nfs/dbraw/zinc/78/51/41/365785141.db2.gz GUEFMSXDKFDHOV-UHFFFAOYSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000379977476 365773394 /nfs/dbraw/zinc/77/33/94/365773394.db2.gz FFXGSJPSADWEGF-UHFFFAOYSA-N 1 0 242.149 3.758 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCC1(F)F ZINC000379981264 538463382 /nfs/dbraw/zinc/46/33/82/538463382.db2.gz HNOCDMMJDJZWJH-GHMZBOCLSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCC1(F)F ZINC000379981272 538983204 /nfs/dbraw/zinc/98/32/04/538983204.db2.gz HNOCDMMJDJZWJH-MNOVXSKESA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCC1(F)F ZINC000379981277 538983392 /nfs/dbraw/zinc/98/33/92/538983392.db2.gz HNOCDMMJDJZWJH-QWRGUYRKSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCC1(F)F ZINC000379981279 538983211 /nfs/dbraw/zinc/98/32/11/538983211.db2.gz HNOCDMMJDJZWJH-WDEREUQCSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCCC(F)(F)F ZINC000379982066 365779401 /nfs/dbraw/zinc/77/94/01/365779401.db2.gz HZAGOZMLMDOVQU-JTQLQIEISA-N 1 0 223.282 3.663 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCCC(F)(F)F ZINC000379982075 365779878 /nfs/dbraw/zinc/77/98/78/365779878.db2.gz HZAGOZMLMDOVQU-SNVBAGLBSA-N 1 0 223.282 3.663 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CC12CCCC2 ZINC000379983193 365779885 /nfs/dbraw/zinc/77/98/85/365779885.db2.gz IOYNTJHNOSBHEU-CHWSQXEVSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CC12CCCC2 ZINC000379983205 365779839 /nfs/dbraw/zinc/77/98/39/365779839.db2.gz IOYNTJHNOSBHEU-OLZOCXBDSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC12CCCC2 ZINC000379983206 365779637 /nfs/dbraw/zinc/77/96/37/365779637.db2.gz IOYNTJHNOSBHEU-QWHCGFSZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC12CCCC2 ZINC000379983207 365779806 /nfs/dbraw/zinc/77/98/06/365779806.db2.gz IOYNTJHNOSBHEU-STQMWFEESA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)C1CCCCC1 ZINC000379999009 365790282 /nfs/dbraw/zinc/79/02/82/365790282.db2.gz LOBPQRYXEAZEAY-GXTWGEPZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)C1CCCCC1 ZINC000379999011 365790646 /nfs/dbraw/zinc/79/06/46/365790646.db2.gz LOBPQRYXEAZEAY-JSGCOSHPSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)C1CCCCC1 ZINC000379999012 365790178 /nfs/dbraw/zinc/79/01/78/365790178.db2.gz LOBPQRYXEAZEAY-OCCSQVGLSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)C1CCCCC1 ZINC000379999013 365789822 /nfs/dbraw/zinc/78/98/22/365789822.db2.gz LOBPQRYXEAZEAY-TZMCWYRMSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC1CCCC1 ZINC000380000894 365790780 /nfs/dbraw/zinc/79/07/80/365790780.db2.gz MTPRSBKIRWBHCD-GXTWGEPZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC1CCCC1 ZINC000380000895 365791880 /nfs/dbraw/zinc/79/18/80/365791880.db2.gz MTPRSBKIRWBHCD-JSGCOSHPSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC1CCCC1 ZINC000380000896 365792319 /nfs/dbraw/zinc/79/23/19/365792319.db2.gz MTPRSBKIRWBHCD-OCCSQVGLSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC1CCCC1 ZINC000380000897 365792364 /nfs/dbraw/zinc/79/23/64/365792364.db2.gz MTPRSBKIRWBHCD-TZMCWYRMSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCC(F)(F)F ZINC000380022817 365812188 /nfs/dbraw/zinc/81/21/88/365812188.db2.gz XEVDFAVPXCUCCX-NXEZZACHSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCC(F)(F)F ZINC000380022819 365812209 /nfs/dbraw/zinc/81/22/09/365812209.db2.gz XEVDFAVPXCUCCX-UWVGGRQHSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCC(F)(F)F ZINC000380022821 342949410 /nfs/dbraw/zinc/94/94/10/342949410.db2.gz XEVDFAVPXCUCCX-VHSXEESVSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCC(F)(F)F ZINC000380022824 365812239 /nfs/dbraw/zinc/81/22/39/365812239.db2.gz XEVDFAVPXCUCCX-ZJUUUORDSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C)cc1 ZINC000380051282 365830795 /nfs/dbraw/zinc/83/07/95/365830795.db2.gz VPKKSBUFHNSACD-UHFFFAOYSA-N 1 0 217.356 3.687 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000380064090 712684497 /nfs/dbraw/zinc/68/44/97/712684497.db2.gz BPVHFHPXWIGFIQ-CMPLNLGQSA-N 1 0 221.369 3.509 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000380064095 712684531 /nfs/dbraw/zinc/68/45/31/712684531.db2.gz BPVHFHPXWIGFIQ-JQWIXIFHSA-N 1 0 221.369 3.509 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000380064100 712684506 /nfs/dbraw/zinc/68/45/06/712684506.db2.gz BPVHFHPXWIGFIQ-PWSUYJOCSA-N 1 0 221.369 3.509 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000380064110 712684509 /nfs/dbraw/zinc/68/45/09/712684509.db2.gz BPVHFHPXWIGFIQ-ZYHUDNBSSA-N 1 0 221.369 3.509 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000380064871 365837594 /nfs/dbraw/zinc/83/75/94/365837594.db2.gz BUCKMBNGTCWHPY-CYBMUJFWSA-N 1 0 223.747 3.813 20 30 BHEDRO C=CC[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000380064874 365836950 /nfs/dbraw/zinc/83/69/50/365836950.db2.gz BUCKMBNGTCWHPY-ZDUSSCGKSA-N 1 0 223.747 3.813 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C1CC(C)C1 ZINC000380110340 712687666 /nfs/dbraw/zinc/68/76/66/712687666.db2.gz OAWRHOLSTAODFX-MOKVOYLWSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C1CC(C)C1 ZINC000380110342 712687553 /nfs/dbraw/zinc/68/75/53/712687553.db2.gz OAWRHOLSTAODFX-ROKHWSDSSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000380115483 537925631 /nfs/dbraw/zinc/92/56/31/537925631.db2.gz PHVASUWOEJZQDW-BFHYXJOUSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000380115484 537925353 /nfs/dbraw/zinc/92/53/53/537925353.db2.gz PHVASUWOEJZQDW-IHRRRGAJSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000380115489 537926360 /nfs/dbraw/zinc/92/63/60/537926360.db2.gz PHVASUWOEJZQDW-MELADBBJSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000380115490 538985180 /nfs/dbraw/zinc/98/51/80/538985180.db2.gz PHVASUWOEJZQDW-MJBXVCDLSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000380117009 365896735 /nfs/dbraw/zinc/89/67/35/365896735.db2.gz PRQYZJXCHXHSKY-CHWSQXEVSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000380117012 365896993 /nfs/dbraw/zinc/89/69/93/365896993.db2.gz PRQYZJXCHXHSKY-OLZOCXBDSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000380117013 365897067 /nfs/dbraw/zinc/89/70/67/365897067.db2.gz PRQYZJXCHXHSKY-QWHCGFSZSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000380117014 365896165 /nfs/dbraw/zinc/89/61/65/365896165.db2.gz PRQYZJXCHXHSKY-STQMWFEESA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000380125379 365892480 /nfs/dbraw/zinc/89/24/80/365892480.db2.gz RPYYDBBOLDLHGX-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000380125380 365892009 /nfs/dbraw/zinc/89/20/09/365892009.db2.gz RPYYDBBOLDLHGX-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000380125382 365892524 /nfs/dbraw/zinc/89/25/24/365892524.db2.gz RPYYDBBOLDLHGX-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000380125384 365892558 /nfs/dbraw/zinc/89/25/58/365892558.db2.gz RPYYDBBOLDLHGX-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000380138017 566447380 /nfs/dbraw/zinc/44/73/80/566447380.db2.gz UZJKKSXDXUMQKY-AVGNSLFASA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000380138024 538985995 /nfs/dbraw/zinc/98/59/95/538985995.db2.gz UZJKKSXDXUMQKY-RWMBFGLXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000380138025 538986039 /nfs/dbraw/zinc/98/60/39/538986039.db2.gz UZJKKSXDXUMQKY-XQQFMLRXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000380138035 538986080 /nfs/dbraw/zinc/98/60/80/538986080.db2.gz UZJKKSXDXUMQKY-YNEHKIRRSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000380154814 346543459 /nfs/dbraw/zinc/54/34/59/346543459.db2.gz YSYYLTVONMMZRT-GFCCVEGCSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000380154816 346543554 /nfs/dbraw/zinc/54/35/54/346543554.db2.gz YSYYLTVONMMZRT-LBPRGKRZSA-N 1 0 209.377 3.900 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1cscc1Cl)C(C)(C)C ZINC000380159472 712702404 /nfs/dbraw/zinc/70/24/04/712702404.db2.gz BCQRZTYSEPQVBY-LLVKDONJSA-N 1 0 241.787 3.539 20 30 BHEDRO C#C[C@H]([NH2+]Cc1cscc1Cl)C(C)(C)C ZINC000380159477 712702399 /nfs/dbraw/zinc/70/23/99/712702399.db2.gz BCQRZTYSEPQVBY-NSHDSACASA-N 1 0 241.787 3.539 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(CC)o1 ZINC000380161497 346204670 /nfs/dbraw/zinc/20/46/70/346204670.db2.gz UYUDDKGHFCPANT-UHFFFAOYSA-N 1 0 221.344 3.534 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cccc(O)c1 ZINC000380184763 712706579 /nfs/dbraw/zinc/70/65/79/712706579.db2.gz YXLGJHYXSGDIMI-UHFFFAOYSA-N 1 0 233.355 3.618 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000380189824 346506795 /nfs/dbraw/zinc/50/67/95/346506795.db2.gz OKHSELKOIGARJS-IGQOVBAYSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000380189829 367153875 /nfs/dbraw/zinc/15/38/75/367153875.db2.gz OKHSELKOIGARJS-XDQVBPFNSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000380189833 367154357 /nfs/dbraw/zinc/15/43/57/367154357.db2.gz OKHSELKOIGARJS-XJFOESAGSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000380189865 346507422 /nfs/dbraw/zinc/50/74/22/346507422.db2.gz OKHSELKOIGARJS-ZOBORPQBSA-N 1 0 209.377 3.755 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000380218038 343670592 /nfs/dbraw/zinc/67/05/92/343670592.db2.gz IQQNZPYXRJSTAN-JTQLQIEISA-N 1 0 223.282 3.519 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000380218040 343670505 /nfs/dbraw/zinc/67/05/05/343670505.db2.gz IQQNZPYXRJSTAN-SNVBAGLBSA-N 1 0 223.282 3.519 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)CCCCCC=C ZINC000380233474 712835792 /nfs/dbraw/zinc/83/57/92/712835792.db2.gz LWFDALQPCCXJTH-AWEZNQCLSA-N 1 0 207.361 3.514 20 30 BHEDRO C#CCCC[NH2+][C@H](C)CCCCCC=C ZINC000380233476 712835801 /nfs/dbraw/zinc/83/58/01/712835801.db2.gz LWFDALQPCCXJTH-CQSZACIVSA-N 1 0 207.361 3.514 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)SC ZINC000380248705 712846134 /nfs/dbraw/zinc/84/61/34/712846134.db2.gz OUOKBOFZGCBKRY-CHWSQXEVSA-N 1 0 229.433 3.853 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H](C)SC ZINC000380248706 712846114 /nfs/dbraw/zinc/84/61/14/712846114.db2.gz OUOKBOFZGCBKRY-OLZOCXBDSA-N 1 0 229.433 3.853 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H](C)SC ZINC000380248708 712846066 /nfs/dbraw/zinc/84/60/66/712846066.db2.gz OUOKBOFZGCBKRY-QWHCGFSZSA-N 1 0 229.433 3.853 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H](C)SC ZINC000380248709 712846174 /nfs/dbraw/zinc/84/61/74/712846174.db2.gz OUOKBOFZGCBKRY-STQMWFEESA-N 1 0 229.433 3.853 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000380263566 350318455 /nfs/dbraw/zinc/31/84/55/350318455.db2.gz SOEWZDFLQCNWPA-CYBMUJFWSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000380263567 350318584 /nfs/dbraw/zinc/31/85/84/350318584.db2.gz SOEWZDFLQCNWPA-ZDUSSCGKSA-N 1 0 203.329 3.530 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000380268041 343716903 /nfs/dbraw/zinc/71/69/03/343716903.db2.gz UYMUHIFKSYMUMO-SECBINFHSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000380268042 343716706 /nfs/dbraw/zinc/71/67/06/343716706.db2.gz UYMUHIFKSYMUMO-VIFPVBQESA-N 1 0 223.282 3.519 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1CCCC1)C1CC1 ZINC000380268865 367167669 /nfs/dbraw/zinc/16/76/69/367167669.db2.gz VHASPAVQIFGABT-AWEZNQCLSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1CCCC1)C1CC1 ZINC000380268866 344739163 /nfs/dbraw/zinc/73/91/63/344739163.db2.gz VHASPAVQIFGABT-CQSZACIVSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000380270419 345244564 /nfs/dbraw/zinc/24/45/64/345244564.db2.gz VWSOKVHVKUBTIG-CHWSQXEVSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000380270420 345244256 /nfs/dbraw/zinc/24/42/56/345244256.db2.gz VWSOKVHVKUBTIG-OLZOCXBDSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000380270421 345244075 /nfs/dbraw/zinc/24/40/75/345244075.db2.gz VWSOKVHVKUBTIG-QWHCGFSZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000380270422 345244463 /nfs/dbraw/zinc/24/44/63/345244463.db2.gz VWSOKVHVKUBTIG-STQMWFEESA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCC1CC1)C1CC1 ZINC000380272473 345254758 /nfs/dbraw/zinc/25/47/58/345254758.db2.gz WTXCKLWDDGSZQI-AWEZNQCLSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCC1CC1)C1CC1 ZINC000380272474 345254471 /nfs/dbraw/zinc/25/44/71/345254471.db2.gz WTXCKLWDDGSZQI-CQSZACIVSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000380285330 367170960 /nfs/dbraw/zinc/17/09/60/367170960.db2.gz ZWDTXKVIPVXUOA-KBPBESRZSA-N 1 0 207.361 3.535 20 30 BHEDRO C=CCCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000380285340 367170923 /nfs/dbraw/zinc/17/09/23/367170923.db2.gz ZWDTXKVIPVXUOA-KGLIPLIRSA-N 1 0 207.361 3.535 20 30 BHEDRO C=CCCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000380285341 367170929 /nfs/dbraw/zinc/17/09/29/367170929.db2.gz ZWDTXKVIPVXUOA-UONOGXRCSA-N 1 0 207.361 3.535 20 30 BHEDRO C=CCCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000380285342 367170449 /nfs/dbraw/zinc/17/04/49/367170449.db2.gz ZWDTXKVIPVXUOA-ZIAGYGMSSA-N 1 0 207.361 3.535 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000380290706 712861708 /nfs/dbraw/zinc/86/17/08/712861708.db2.gz BLKSQUIKXBQXIS-KBPBESRZSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)[C@H](C)CCCC ZINC000380290708 712861715 /nfs/dbraw/zinc/86/17/15/712861715.db2.gz BLKSQUIKXBQXIS-KGLIPLIRSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)[C@@H](C)CCCC ZINC000380290709 712861703 /nfs/dbraw/zinc/86/17/03/712861703.db2.gz BLKSQUIKXBQXIS-UONOGXRCSA-N 1 0 209.377 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)[C@H](C)CCCC ZINC000380290710 712861722 /nfs/dbraw/zinc/86/17/22/712861722.db2.gz BLKSQUIKXBQXIS-ZIAGYGMSSA-N 1 0 209.377 3.594 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1cccc(SCC)c1 ZINC000380311255 712873923 /nfs/dbraw/zinc/87/39/23/712873923.db2.gz HEXCRPOMCHBPSO-UHFFFAOYSA-N 1 0 241.787 3.641 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C1(C(F)F)CC1 ZINC000380328295 346480042 /nfs/dbraw/zinc/48/00/42/346480042.db2.gz MZOPQWPZTIDVRW-JTQLQIEISA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C1(C(F)F)CC1 ZINC000380328296 346480185 /nfs/dbraw/zinc/48/01/85/346480185.db2.gz MZOPQWPZTIDVRW-SNVBAGLBSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000380342742 487471629 /nfs/dbraw/zinc/47/16/29/487471629.db2.gz SEEYNSGLCZDJFJ-IGQOVBAYSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000380342743 487471665 /nfs/dbraw/zinc/47/16/65/487471665.db2.gz SEEYNSGLCZDJFJ-MQYQWHSLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCSC(C)C ZINC000380344996 344873513 /nfs/dbraw/zinc/87/35/13/344873513.db2.gz SVBGQLWJANSCQJ-CYBMUJFWSA-N 1 0 229.433 3.853 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCSC(C)C ZINC000380345004 367188476 /nfs/dbraw/zinc/18/84/76/367188476.db2.gz SVBGQLWJANSCQJ-ZDUSSCGKSA-N 1 0 229.433 3.853 20 30 BHEDRO C#C[C@H]([NH2+]Cc1ccsc1Cl)C(C)(C)C ZINC000380346394 712891332 /nfs/dbraw/zinc/89/13/32/712891332.db2.gz UBQCLJPAMBGMFB-JTQLQIEISA-N 1 0 241.787 3.539 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1ccsc1Cl)C(C)(C)C ZINC000380346407 712891413 /nfs/dbraw/zinc/89/14/13/712891413.db2.gz UBQCLJPAMBGMFB-SNVBAGLBSA-N 1 0 241.787 3.539 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC1(C)C ZINC000380356864 367191425 /nfs/dbraw/zinc/19/14/25/367191425.db2.gz WZSYRXDMUUIALS-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCC1(C)C ZINC000380356869 344886796 /nfs/dbraw/zinc/88/67/96/344886796.db2.gz WZSYRXDMUUIALS-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC1(C)C ZINC000380356871 367191460 /nfs/dbraw/zinc/19/14/60/367191460.db2.gz WZSYRXDMUUIALS-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCC1(C)C ZINC000380356875 367190972 /nfs/dbraw/zinc/19/09/72/367190972.db2.gz WZSYRXDMUUIALS-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1cncs1 ZINC000380357937 712897363 /nfs/dbraw/zinc/89/73/63/712897363.db2.gz XEYSRCNRHONHRZ-LLVKDONJSA-N 1 0 226.389 3.764 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1cncs1 ZINC000380357941 712897583 /nfs/dbraw/zinc/89/75/83/712897583.db2.gz XEYSRCNRHONHRZ-NSHDSACASA-N 1 0 226.389 3.764 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc(F)ccc1C ZINC000380535785 367231065 /nfs/dbraw/zinc/23/10/65/367231065.db2.gz FUTYIVRXQMOBCB-UHFFFAOYSA-N 1 0 221.319 3.580 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1nc(C)cs1 ZINC000380550860 712901729 /nfs/dbraw/zinc/90/17/29/712901729.db2.gz JUIZQUOWGVLIKL-UHFFFAOYSA-N 1 0 238.400 3.678 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)C(C)(C)OC ZINC000380558474 712901661 /nfs/dbraw/zinc/90/16/61/712901661.db2.gz LMCUOJNTIVVNHV-CYBMUJFWSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)C(C)(C)OC ZINC000380558477 712901591 /nfs/dbraw/zinc/90/15/91/712901591.db2.gz LMCUOJNTIVVNHV-ZDUSSCGKSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000380569242 538990879 /nfs/dbraw/zinc/99/08/79/538990879.db2.gz NYRSUGLLJNHHGW-JTQLQIEISA-N 1 0 238.400 3.767 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000380569326 538991017 /nfs/dbraw/zinc/99/10/17/538991017.db2.gz NYRSUGLLJNHHGW-SNVBAGLBSA-N 1 0 238.400 3.767 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1csc(C)n1 ZINC000380593024 712901940 /nfs/dbraw/zinc/90/19/40/712901940.db2.gz SQYJQKVDTUQPRW-UHFFFAOYSA-N 1 0 238.400 3.678 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cncn1C(C)C ZINC000380665218 712902288 /nfs/dbraw/zinc/90/22/88/712902288.db2.gz IWUPFEWEJLBCTH-UHFFFAOYSA-N 1 0 249.402 3.690 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000380673683 712902254 /nfs/dbraw/zinc/90/22/54/712902254.db2.gz MTDGXHQHVFHAST-UHFFFAOYSA-N 1 0 242.366 3.784 20 30 BHEDRO CCC[N@H+](CCCC(C)(C)C#N)CC(C)C ZINC000380678188 347231102 /nfs/dbraw/zinc/23/11/02/347231102.db2.gz FGFDDGBJSQHYEH-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000380967913 373687639 /nfs/dbraw/zinc/68/76/39/373687639.db2.gz VNSJUICYNHIJBO-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000380988222 367331496 /nfs/dbraw/zinc/33/14/96/367331496.db2.gz DJWSVFNSHHFLHD-GASCZTMLSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000380992533 710597315 /nfs/dbraw/zinc/59/73/15/710597315.db2.gz FMHGDTSQCZYSLY-CYBMUJFWSA-N 1 0 247.382 3.954 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000380992534 710597720 /nfs/dbraw/zinc/59/77/20/710597720.db2.gz FMHGDTSQCZYSLY-ZDUSSCGKSA-N 1 0 247.382 3.954 20 30 BHEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000381028321 367338083 /nfs/dbraw/zinc/33/80/83/367338083.db2.gz IKWQMNMAHKEJCG-AWEZNQCLSA-N 1 0 247.382 3.663 20 30 BHEDRO C=CCOCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000381028324 367338141 /nfs/dbraw/zinc/33/81/41/367338141.db2.gz IKWQMNMAHKEJCG-CQSZACIVSA-N 1 0 247.382 3.663 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC000381034926 710597350 /nfs/dbraw/zinc/59/73/50/710597350.db2.gz BCCWTBVDZDQKNU-CYBMUJFWSA-N 1 0 217.356 3.864 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC000381034927 710597174 /nfs/dbraw/zinc/59/71/74/710597174.db2.gz BCCWTBVDZDQKNU-ZDUSSCGKSA-N 1 0 217.356 3.864 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000381037831 343842436 /nfs/dbraw/zinc/84/24/36/343842436.db2.gz BPERUXDCLPCULG-JTQLQIEISA-N 1 0 241.737 3.923 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000381037833 343842333 /nfs/dbraw/zinc/84/23/33/343842333.db2.gz BPERUXDCLPCULG-SNVBAGLBSA-N 1 0 241.737 3.923 20 30 BHEDRO C#CCCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000381116267 710603275 /nfs/dbraw/zinc/60/32/75/710603275.db2.gz HGWKBSIHCLEJCY-UHFFFAOYSA-N 1 0 235.758 3.578 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccccc1OC(C)C ZINC000381133339 398201539 /nfs/dbraw/zinc/20/15/39/398201539.db2.gz MHOHOXDAIGQIEZ-UHFFFAOYSA-N 1 0 247.382 3.920 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000381144137 710604250 /nfs/dbraw/zinc/60/42/50/710604250.db2.gz NFLBTBXLWQMLNE-CABCVRRESA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000381144143 710604955 /nfs/dbraw/zinc/60/49/55/710604955.db2.gz NFLBTBXLWQMLNE-GJZGRUSLSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000381144145 710604245 /nfs/dbraw/zinc/60/42/45/710604245.db2.gz NFLBTBXLWQMLNE-HUUCEWRRSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000381144147 710604470 /nfs/dbraw/zinc/60/44/70/710604470.db2.gz NFLBTBXLWQMLNE-LSDHHAIUSA-N 1 0 221.388 3.594 20 30 BHEDRO C=C(C[NH2+]Cc1csc(C)c1)c1ccccc1 ZINC000381151128 367356153 /nfs/dbraw/zinc/35/61/53/367356153.db2.gz LPAAGGAGXMFQOC-UHFFFAOYSA-N 1 0 243.375 3.860 20 30 BHEDRO C=CC[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000381161276 398254738 /nfs/dbraw/zinc/25/47/38/398254738.db2.gz RJKZAPVCVOLZNX-UHFFFAOYSA-N 1 0 217.356 3.821 20 30 BHEDRO C=CCCCCC[NH2+]Cc1csc(C)c1 ZINC000381177250 344482977 /nfs/dbraw/zinc/48/29/77/344482977.db2.gz QMMUUGHATMCBPI-UHFFFAOYSA-N 1 0 223.385 3.893 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCCS1)C1CC1 ZINC000381181707 344126543 /nfs/dbraw/zinc/12/65/43/344126543.db2.gz WQGNABLKXLGVSQ-KBPBESRZSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCCS1)C1CC1 ZINC000381181709 344126844 /nfs/dbraw/zinc/12/68/44/344126844.db2.gz WQGNABLKXLGVSQ-KGLIPLIRSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCCS1)C1CC1 ZINC000381181710 344126698 /nfs/dbraw/zinc/12/66/98/344126698.db2.gz WQGNABLKXLGVSQ-UONOGXRCSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCCS1)C1CC1 ZINC000381181711 344126487 /nfs/dbraw/zinc/12/64/87/344126487.db2.gz WQGNABLKXLGVSQ-ZIAGYGMSSA-N 1 0 239.428 3.607 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000381182193 344483023 /nfs/dbraw/zinc/48/30/23/344483023.db2.gz RTVYSGBCHPBCJM-GFCCVEGCSA-N 1 0 248.345 3.708 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000381182207 344482995 /nfs/dbraw/zinc/48/29/95/344482995.db2.gz RTVYSGBCHPBCJM-LBPRGKRZSA-N 1 0 248.345 3.708 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000381205518 710608612 /nfs/dbraw/zinc/60/86/12/710608612.db2.gz GEDAMFSDSNLVDX-AWEZNQCLSA-N 1 0 237.774 3.596 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000381205519 710608412 /nfs/dbraw/zinc/60/84/12/710608412.db2.gz GEDAMFSDSNLVDX-CQSZACIVSA-N 1 0 237.774 3.596 20 30 BHEDRO C=CCCCCCCC[NH2+]C[C@@H]1CCSC1 ZINC000381212577 710608963 /nfs/dbraw/zinc/60/89/63/710608963.db2.gz HJMHMWMEMWLZFZ-AWEZNQCLSA-N 1 0 241.444 3.856 20 30 BHEDRO C=CCCCCCCC[NH2+]C[C@H]1CCSC1 ZINC000381212582 710609107 /nfs/dbraw/zinc/60/91/07/710609107.db2.gz HJMHMWMEMWLZFZ-CQSZACIVSA-N 1 0 241.444 3.856 20 30 BHEDRO C=C(CC)C[NH2+][C@@](C)(CC)c1ccccc1 ZINC000381217090 710608987 /nfs/dbraw/zinc/60/89/87/710608987.db2.gz IESUVWNVWPDHFC-HNNXBMFYSA-N 1 0 217.356 3.868 20 30 BHEDRO C=C(CC)C[NH2+][C@](C)(CC)c1ccccc1 ZINC000381217093 710609174 /nfs/dbraw/zinc/60/91/74/710609174.db2.gz IESUVWNVWPDHFC-OAHLLOKOSA-N 1 0 217.356 3.868 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000381224808 344217525 /nfs/dbraw/zinc/21/75/25/344217525.db2.gz JNVIJJSIBFGPNH-BFHYXJOUSA-N 1 0 241.444 3.851 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000381224809 344217317 /nfs/dbraw/zinc/21/73/17/344217317.db2.gz JNVIJJSIBFGPNH-IHRRRGAJSA-N 1 0 241.444 3.851 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000381224811 344217310 /nfs/dbraw/zinc/21/73/10/344217310.db2.gz JNVIJJSIBFGPNH-MELADBBJSA-N 1 0 241.444 3.851 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000381224812 344217302 /nfs/dbraw/zinc/21/73/02/344217302.db2.gz JNVIJJSIBFGPNH-MJBXVCDLSA-N 1 0 241.444 3.851 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1cscn1 ZINC000381237272 710611033 /nfs/dbraw/zinc/61/10/33/710611033.db2.gz MFAVEVJTQZNLCT-UHFFFAOYSA-N 1 0 238.400 3.759 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000381243945 367370712 /nfs/dbraw/zinc/37/07/12/367370712.db2.gz NWBGYDJHXKJIJD-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000381243948 367370287 /nfs/dbraw/zinc/37/02/87/367370287.db2.gz NWBGYDJHXKJIJD-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1nccs1 ZINC000381255790 710612694 /nfs/dbraw/zinc/61/26/94/710612694.db2.gz QTAPTEYBPWJDAH-UHFFFAOYSA-N 1 0 238.400 3.759 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000381257237 344304087 /nfs/dbraw/zinc/30/40/87/344304087.db2.gz QZWLHANDWJSZMK-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000381289388 345247095 /nfs/dbraw/zinc/24/70/95/345247095.db2.gz AZSCIEBABCVWBD-UHFFFAOYSA-N 1 0 215.340 3.622 20 30 BHEDRO CCCC(CCC)[NH2+]CC(C)(C)CCC#N ZINC000381290604 345247609 /nfs/dbraw/zinc/24/76/09/345247609.db2.gz CYFAFHDPVKFIOS-UHFFFAOYSA-N 1 0 224.392 3.875 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000381295566 367376219 /nfs/dbraw/zinc/37/62/19/367376219.db2.gz GFLZWCBJZWUKHX-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000381298608 345264158 /nfs/dbraw/zinc/26/41/58/345264158.db2.gz HKPSTEUADZSQHM-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000381298610 345264171 /nfs/dbraw/zinc/26/41/71/345264171.db2.gz HKPSTEUADZSQHM-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000381304224 345275093 /nfs/dbraw/zinc/27/50/93/345275093.db2.gz JIDQSAWMFCBCCO-LLVKDONJSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000381304225 345275178 /nfs/dbraw/zinc/27/51/78/345275178.db2.gz JIDQSAWMFCBCCO-NSHDSACASA-N 1 0 241.737 3.923 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCc1ccccc1 ZINC000381304335 345275205 /nfs/dbraw/zinc/27/52/05/345275205.db2.gz JJSDGABTXULCJI-HNNXBMFYSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccccc1 ZINC000381304337 345275289 /nfs/dbraw/zinc/27/52/89/345275289.db2.gz JJSDGABTXULCJI-OAHLLOKOSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000381308222 367378316 /nfs/dbraw/zinc/37/83/16/367378316.db2.gz KOLOAPHPIZIFQP-GFCCVEGCSA-N 1 0 221.344 3.903 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000381308225 367378004 /nfs/dbraw/zinc/37/80/04/367378004.db2.gz KOLOAPHPIZIFQP-LBPRGKRZSA-N 1 0 221.344 3.903 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@H](C)C1)C1CC1 ZINC000381308749 367377833 /nfs/dbraw/zinc/37/78/33/367377833.db2.gz MCPIZVILSGSAGR-GUTXKFCHSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)C1CC1 ZINC000381308751 367378229 /nfs/dbraw/zinc/37/82/29/367378229.db2.gz MCPIZVILSGSAGR-IPYPFGDCSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC000381308753 367378420 /nfs/dbraw/zinc/37/84/20/367378420.db2.gz MCPIZVILSGSAGR-NFAWXSAZSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@H](C)C1)C1CC1 ZINC000381308761 367377900 /nfs/dbraw/zinc/37/79/00/367377900.db2.gz MCPIZVILSGSAGR-YDHLFZDLSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C[C@H](C)c1ccccc1 ZINC000381311403 367378150 /nfs/dbraw/zinc/37/81/50/367378150.db2.gz LPQGGNNOWWUOEZ-DZGCQCFKSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000381311404 367378373 /nfs/dbraw/zinc/37/83/73/367378373.db2.gz LPQGGNNOWWUOEZ-HIFRSBDPSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000381311405 367377950 /nfs/dbraw/zinc/37/79/50/367377950.db2.gz LPQGGNNOWWUOEZ-UKRRQHHQSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@H](C)c1ccccc1 ZINC000381311406 345290877 /nfs/dbraw/zinc/29/08/77/345290877.db2.gz LPQGGNNOWWUOEZ-ZFWWWQNUSA-N 1 0 217.356 3.734 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000381312143 367379793 /nfs/dbraw/zinc/37/97/93/367379793.db2.gz ANDNSUQUNXIBAZ-BXUZGUMPSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000381312145 367379845 /nfs/dbraw/zinc/37/98/45/367379845.db2.gz ANDNSUQUNXIBAZ-FZMZJTMJSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000381312146 367379829 /nfs/dbraw/zinc/37/98/29/367379829.db2.gz ANDNSUQUNXIBAZ-RISCZKNCSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000381312148 345291765 /nfs/dbraw/zinc/29/17/65/345291765.db2.gz ANDNSUQUNXIBAZ-SMDDNHRTSA-N 1 0 221.319 3.831 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000381329795 710622422 /nfs/dbraw/zinc/62/24/22/710622422.db2.gz SRXRVMVUIQTRBO-LLVKDONJSA-N 1 0 238.762 3.742 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000381329796 710622861 /nfs/dbraw/zinc/62/28/61/710622861.db2.gz SRXRVMVUIQTRBO-NSHDSACASA-N 1 0 238.762 3.742 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(F)cc1Cl ZINC000381333563 367382623 /nfs/dbraw/zinc/38/26/23/367382623.db2.gz UVZXLRNEIALXHP-GFCCVEGCSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(F)cc1Cl ZINC000381333570 367383078 /nfs/dbraw/zinc/38/30/78/367383078.db2.gz UVZXLRNEIALXHP-LBPRGKRZSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(Cl)c1F ZINC000381337909 367383215 /nfs/dbraw/zinc/38/32/15/367383215.db2.gz WLSNLUMNAFTQRK-LLVKDONJSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(Cl)c1F ZINC000381337910 345389336 /nfs/dbraw/zinc/38/93/36/345389336.db2.gz WLSNLUMNAFTQRK-NSHDSACASA-N 1 0 241.737 3.923 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000381343072 367384112 /nfs/dbraw/zinc/38/41/12/367384112.db2.gz YCGQOBFGJSGGFH-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(C)c1C ZINC000381343073 367384517 /nfs/dbraw/zinc/38/45/17/367384517.db2.gz YCGQOBFGJSGGFH-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C#CC[C@H]([NH2+]C(CC)CC)c1ccccc1 ZINC000381343593 710624946 /nfs/dbraw/zinc/62/49/46/710624946.db2.gz YGGWACZIOAFLKF-HNNXBMFYSA-N 1 0 215.340 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+]C(CC)CC)c1ccccc1 ZINC000381343594 710625248 /nfs/dbraw/zinc/62/52/48/710625248.db2.gz YGGWACZIOAFLKF-OAHLLOKOSA-N 1 0 215.340 3.529 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(Cl)ccc1F ZINC000381344400 345422578 /nfs/dbraw/zinc/42/25/78/345422578.db2.gz YKWFJMWCPNMQQO-GFCCVEGCSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(Cl)ccc1F ZINC000381344401 345422602 /nfs/dbraw/zinc/42/26/02/345422602.db2.gz YKWFJMWCPNMQQO-LBPRGKRZSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)ccc1F ZINC000381345401 345428385 /nfs/dbraw/zinc/42/83/85/345428385.db2.gz YVJTXPDQKICRLI-CYBMUJFWSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)ccc1F ZINC000381345402 345428866 /nfs/dbraw/zinc/42/88/66/345428866.db2.gz YVJTXPDQKICRLI-ZDUSSCGKSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CCCC[NH2+][C@@](C)(CC)c1ccccc1 ZINC000381350219 710625124 /nfs/dbraw/zinc/62/51/24/710625124.db2.gz BNEJPMXFNNUVCN-HNNXBMFYSA-N 1 0 217.356 3.868 20 30 BHEDRO C=CCCC[NH2+][C@](C)(CC)c1ccccc1 ZINC000381350232 710625325 /nfs/dbraw/zinc/62/53/25/710625325.db2.gz BNEJPMXFNNUVCN-OAHLLOKOSA-N 1 0 217.356 3.868 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000381352630 710626512 /nfs/dbraw/zinc/62/65/12/710626512.db2.gz CEBZSOHQFUWOQS-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000381352639 710626197 /nfs/dbraw/zinc/62/61/97/710626197.db2.gz CEBZSOHQFUWOQS-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCSCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381357593 398252859 /nfs/dbraw/zinc/25/28/59/398252859.db2.gz JLIOVRMEODOHSZ-LLVKDONJSA-N 1 0 241.425 3.626 20 30 BHEDRO C=CCSCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381357596 388572015 /nfs/dbraw/zinc/57/20/15/388572015.db2.gz JLIOVRMEODOHSZ-NSHDSACASA-N 1 0 241.425 3.626 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCSC(C)(C)C)C1CC1 ZINC000381363992 710628651 /nfs/dbraw/zinc/62/86/51/710628651.db2.gz DRKHNDMQJFARGH-CYBMUJFWSA-N 1 0 241.444 3.853 20 30 BHEDRO C=CCC[C@H]([NH2+]CCSC(C)(C)C)C1CC1 ZINC000381364445 710627904 /nfs/dbraw/zinc/62/79/04/710627904.db2.gz DRKHNDMQJFARGH-ZDUSSCGKSA-N 1 0 241.444 3.853 20 30 BHEDRO C=C(C)CC[NH2+][C@@](C)(CC)c1ccccc1 ZINC000381367333 710627983 /nfs/dbraw/zinc/62/79/83/710627983.db2.gz HFNSISUQFWMYSM-HNNXBMFYSA-N 1 0 217.356 3.868 20 30 BHEDRO C=C(C)CC[NH2+][C@](C)(CC)c1ccccc1 ZINC000381367334 710628597 /nfs/dbraw/zinc/62/85/97/710628597.db2.gz HFNSISUQFWMYSM-OAHLLOKOSA-N 1 0 217.356 3.868 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](CC)CC#N ZINC000381370518 710629565 /nfs/dbraw/zinc/62/95/65/710629565.db2.gz ICZGVMUROVIMRF-KBPBESRZSA-N 1 0 222.376 3.793 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](CC)CC#N ZINC000381370520 710629898 /nfs/dbraw/zinc/62/98/98/710629898.db2.gz ICZGVMUROVIMRF-KGLIPLIRSA-N 1 0 222.376 3.793 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](CC)CC#N ZINC000381370528 710629384 /nfs/dbraw/zinc/62/93/84/710629384.db2.gz ICZGVMUROVIMRF-UONOGXRCSA-N 1 0 222.376 3.793 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](CC)CC#N ZINC000381370530 710629856 /nfs/dbraw/zinc/62/98/56/710629856.db2.gz ICZGVMUROVIMRF-ZIAGYGMSSA-N 1 0 222.376 3.793 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000381372965 367390191 /nfs/dbraw/zinc/39/01/91/367390191.db2.gz IWYQRVYEXKOSNR-UHFFFAOYSA-N 1 0 217.356 3.786 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](CC)CC#N ZINC000381377223 356680610 /nfs/dbraw/zinc/68/06/10/356680610.db2.gz KCTWQNZHEMMOLN-MCIONIFRSA-N 1 0 222.376 3.627 20 30 BHEDRO CC(C)(C)C(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000381382141 344499302 /nfs/dbraw/zinc/49/93/02/344499302.db2.gz KWWRCXZKTBBYIZ-UHFFFAOYSA-N 1 0 236.384 3.534 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000381384280 710630476 /nfs/dbraw/zinc/63/04/76/710630476.db2.gz MFUQHWSHILIEIE-HZSPNIEDSA-N 1 0 229.408 3.748 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000381384281 710630988 /nfs/dbraw/zinc/63/09/88/710630988.db2.gz MFUQHWSHILIEIE-IHRRRGAJSA-N 1 0 229.408 3.748 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000381384282 710630846 /nfs/dbraw/zinc/63/08/46/710630846.db2.gz MFUQHWSHILIEIE-MELADBBJSA-N 1 0 229.408 3.748 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000381384283 710630995 /nfs/dbraw/zinc/63/09/95/710630995.db2.gz MFUQHWSHILIEIE-RDBSUJKOSA-N 1 0 229.408 3.748 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000381392258 367392690 /nfs/dbraw/zinc/39/26/90/367392690.db2.gz OKVIVIMQDIUCDU-CQSZACIVSA-N 1 0 221.319 3.833 20 30 BHEDRO C#C[C@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1 ZINC000381400501 710633404 /nfs/dbraw/zinc/63/34/04/710633404.db2.gz ACDCTCPUJUIDLR-AWEZNQCLSA-N 1 0 233.742 3.547 20 30 BHEDRO C#C[C@@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1 ZINC000381400502 710632590 /nfs/dbraw/zinc/63/25/90/710632590.db2.gz ACDCTCPUJUIDLR-CQSZACIVSA-N 1 0 233.742 3.547 20 30 BHEDRO CCCC[C@@H](CC)CC[NH2+]CC(C)(C)C#N ZINC000381403329 367394920 /nfs/dbraw/zinc/39/49/20/367394920.db2.gz RRPCVDSFKYUOMR-CYBMUJFWSA-N 1 0 224.392 3.732 20 30 BHEDRO CCCC[C@H](CC)CC[NH2+]CC(C)(C)C#N ZINC000381403330 367395014 /nfs/dbraw/zinc/39/50/14/367395014.db2.gz RRPCVDSFKYUOMR-ZDUSSCGKSA-N 1 0 224.392 3.732 20 30 BHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1F)CC(C)C ZINC000381428306 344505307 /nfs/dbraw/zinc/50/53/07/344505307.db2.gz FWGBZRWGAZRSIQ-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO CC#CC[NH2+][C@H](C)c1csc2ccccc12 ZINC000381443709 710637554 /nfs/dbraw/zinc/63/75/54/710637554.db2.gz FJWJVWXRBLTLRP-LLVKDONJSA-N 1 0 229.348 3.575 20 30 BHEDRO CC#CC[NH2+][C@@H](C)c1csc2ccccc12 ZINC000381443710 710637642 /nfs/dbraw/zinc/63/76/42/710637642.db2.gz FJWJVWXRBLTLRP-NSHDSACASA-N 1 0 229.348 3.575 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000381446534 710637371 /nfs/dbraw/zinc/63/73/71/710637371.db2.gz GABQLJNNFRNUBE-CYBMUJFWSA-N 1 0 222.376 3.651 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC(C)(C)C#N ZINC000381446537 710637458 /nfs/dbraw/zinc/63/74/58/710637458.db2.gz GABQLJNNFRNUBE-ZDUSSCGKSA-N 1 0 222.376 3.651 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000381451878 367407383 /nfs/dbraw/zinc/40/73/83/367407383.db2.gz GZBPXPHFKPICCW-GHMZBOCLSA-N 1 0 237.309 3.908 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000381451883 345926772 /nfs/dbraw/zinc/92/67/72/345926772.db2.gz GZBPXPHFKPICCW-MNOVXSKESA-N 1 0 237.309 3.908 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000381451886 345926624 /nfs/dbraw/zinc/92/66/24/345926624.db2.gz GZBPXPHFKPICCW-QWRGUYRKSA-N 1 0 237.309 3.908 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000381451890 345926703 /nfs/dbraw/zinc/92/67/03/345926703.db2.gz GZBPXPHFKPICCW-WDEREUQCSA-N 1 0 237.309 3.908 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)c1ccccc1F ZINC000381456761 367409722 /nfs/dbraw/zinc/40/97/22/367409722.db2.gz IOIITLIFUJBMOA-UHFFFAOYSA-N 1 0 221.319 3.617 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000381460989 345945820 /nfs/dbraw/zinc/94/58/20/345945820.db2.gz JRBBGSAWJLCTTC-QJPTWQEYSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000381460994 345945643 /nfs/dbraw/zinc/94/56/43/345945643.db2.gz JRBBGSAWJLCTTC-SDDRHHMPSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000381460995 345945996 /nfs/dbraw/zinc/94/59/96/345945996.db2.gz JRBBGSAWJLCTTC-SRVKXCTJSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000381460998 345945881 /nfs/dbraw/zinc/94/58/81/345945881.db2.gz JRBBGSAWJLCTTC-TUAOUCFPSA-N 1 0 231.330 3.755 20 30 BHEDRO C=C(C)C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000381464355 367410549 /nfs/dbraw/zinc/41/05/49/367410549.db2.gz KSNOYNBLOAXSBT-BXUZGUMPSA-N 1 0 235.758 3.741 20 30 BHEDRO C=C(C)C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000381464361 367411003 /nfs/dbraw/zinc/41/10/03/367411003.db2.gz KSNOYNBLOAXSBT-FZMZJTMJSA-N 1 0 235.758 3.741 20 30 BHEDRO C=C(C)C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000381464363 367410942 /nfs/dbraw/zinc/41/09/42/367410942.db2.gz KSNOYNBLOAXSBT-RISCZKNCSA-N 1 0 235.758 3.741 20 30 BHEDRO C=C(C)C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000381464364 367410672 /nfs/dbraw/zinc/41/06/72/367410672.db2.gz KSNOYNBLOAXSBT-SMDDNHRTSA-N 1 0 235.758 3.741 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000381467660 367410873 /nfs/dbraw/zinc/41/08/73/367410873.db2.gz NDGOQSSAPQPZRV-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1c(C)cccc1C ZINC000381467766 345985912 /nfs/dbraw/zinc/98/59/12/345985912.db2.gz NDGOQSSAPQPZRV-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC=C(C)C)c1ccco1 ZINC000381469082 367413698 /nfs/dbraw/zinc/41/36/98/367413698.db2.gz LZJAUONZBPHLNP-CYBMUJFWSA-N 1 0 219.328 3.843 20 30 BHEDRO C=CCC[C@H]([NH2+]CC=C(C)C)c1ccco1 ZINC000381469089 367413912 /nfs/dbraw/zinc/41/39/12/367413912.db2.gz LZJAUONZBPHLNP-ZDUSSCGKSA-N 1 0 219.328 3.843 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(CCC)cc1 ZINC000381469106 344510394 /nfs/dbraw/zinc/51/03/94/344510394.db2.gz NPFTVXUSUOPCSU-CYBMUJFWSA-N 1 0 217.356 3.693 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(CCC)cc1 ZINC000381469112 344510569 /nfs/dbraw/zinc/51/05/69/344510569.db2.gz NPFTVXUSUOPCSU-ZDUSSCGKSA-N 1 0 217.356 3.693 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000381469278 367413875 /nfs/dbraw/zinc/41/38/75/367413875.db2.gz MBMWZLQAAOXCRR-MRVPVSSYSA-N 1 0 249.301 3.821 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000381469279 367413967 /nfs/dbraw/zinc/41/39/67/367413967.db2.gz MBMWZLQAAOXCRR-QMMMGPOBSA-N 1 0 249.301 3.821 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000381469736 710641336 /nfs/dbraw/zinc/64/13/36/710641336.db2.gz NVPZRBCCYSOFAP-HZSPNIEDSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000381469737 710641784 /nfs/dbraw/zinc/64/17/84/710641784.db2.gz NVPZRBCCYSOFAP-IHRRRGAJSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000381469739 710640879 /nfs/dbraw/zinc/64/08/79/710640879.db2.gz NVPZRBCCYSOFAP-MELADBBJSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000381469740 710641599 /nfs/dbraw/zinc/64/15/99/710641599.db2.gz NVPZRBCCYSOFAP-RDBSUJKOSA-N 1 0 227.392 3.524 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000381470265 367413953 /nfs/dbraw/zinc/41/39/53/367413953.db2.gz OEUKXKDCRDLEFL-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000381470266 367413519 /nfs/dbraw/zinc/41/35/19/367413519.db2.gz OEUKXKDCRDLEFL-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000381470267 367413626 /nfs/dbraw/zinc/41/36/26/367413626.db2.gz OEUKXKDCRDLEFL-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000381470268 367413546 /nfs/dbraw/zinc/41/35/46/367413546.db2.gz OEUKXKDCRDLEFL-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000381478770 346031334 /nfs/dbraw/zinc/03/13/34/346031334.db2.gz BNDWCVWGOGJQBF-UHFFFAOYSA-N 1 0 235.758 3.885 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000381480320 346031659 /nfs/dbraw/zinc/03/16/59/346031659.db2.gz SKSIXKLYSLSLGD-JTQLQIEISA-N 1 0 235.293 3.663 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000381480321 346031535 /nfs/dbraw/zinc/03/15/35/346031535.db2.gz SKSIXKLYSLSLGD-SNVBAGLBSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000381492051 346071377 /nfs/dbraw/zinc/07/13/77/346071377.db2.gz YJAREURRJIWTPO-KBPBESRZSA-N 1 0 217.356 3.734 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000381492052 346071346 /nfs/dbraw/zinc/07/13/46/346071346.db2.gz YJAREURRJIWTPO-KGLIPLIRSA-N 1 0 217.356 3.734 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000381492053 346071343 /nfs/dbraw/zinc/07/13/43/346071343.db2.gz YJAREURRJIWTPO-UONOGXRCSA-N 1 0 217.356 3.734 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000381492054 346071461 /nfs/dbraw/zinc/07/14/61/346071461.db2.gz YJAREURRJIWTPO-ZIAGYGMSSA-N 1 0 217.356 3.734 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000381493479 367419613 /nfs/dbraw/zinc/41/96/13/367419613.db2.gz ZESXBYCYQPVQNB-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000381493482 367419461 /nfs/dbraw/zinc/41/94/61/367419461.db2.gz ZESXBYCYQPVQNB-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000381498206 367419086 /nfs/dbraw/zinc/41/90/86/367419086.db2.gz BSNOKPPMTOCIPO-AWEZNQCLSA-N 1 0 235.758 3.957 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000381498207 367419015 /nfs/dbraw/zinc/41/90/15/367419015.db2.gz BSNOKPPMTOCIPO-CQSZACIVSA-N 1 0 235.758 3.957 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1sccc1OC ZINC000381509107 367421596 /nfs/dbraw/zinc/42/15/96/367421596.db2.gz VDNPHSHCEGAXOA-LLVKDONJSA-N 1 0 239.384 3.764 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1sccc1OC ZINC000381509110 367421658 /nfs/dbraw/zinc/42/16/58/367421658.db2.gz VDNPHSHCEGAXOA-NSHDSACASA-N 1 0 239.384 3.764 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000381513382 346221877 /nfs/dbraw/zinc/22/18/77/346221877.db2.gz RSZPUVNQQKQCIA-CYBMUJFWSA-N 1 0 241.737 3.952 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000381513383 346222604 /nfs/dbraw/zinc/22/26/04/346222604.db2.gz RSZPUVNQQKQCIA-ZDUSSCGKSA-N 1 0 241.737 3.952 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000381527187 367424384 /nfs/dbraw/zinc/42/43/84/367424384.db2.gz XHCRTMXUVZFYEG-AWEZNQCLSA-N 1 0 217.356 3.940 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000381527195 367424306 /nfs/dbraw/zinc/42/43/06/367424306.db2.gz XHCRTMXUVZFYEG-CQSZACIVSA-N 1 0 217.356 3.940 20 30 BHEDRO C=C(C)CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000381527238 367424296 /nfs/dbraw/zinc/42/42/96/367424296.db2.gz XHQIIUKSTJYQSS-UHFFFAOYSA-N 1 0 235.758 3.885 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C1CC(C(F)(F)F)C1 ZINC000381536889 367427258 /nfs/dbraw/zinc/42/72/58/367427258.db2.gz FZGGHWBHFHYWGU-HSOILSAZSA-N 1 0 235.293 3.662 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C1CC(C(F)(F)F)C1 ZINC000381536891 367427161 /nfs/dbraw/zinc/42/71/61/367427161.db2.gz FZGGHWBHFHYWGU-YVNMAJEFSA-N 1 0 235.293 3.662 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C1CCC(F)(F)CC1 ZINC000381537705 346295528 /nfs/dbraw/zinc/29/55/28/346295528.db2.gz GKRSIEXWNIMJNM-LLVKDONJSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C1CCC(F)(F)CC1 ZINC000381538066 367427750 /nfs/dbraw/zinc/42/77/50/367427750.db2.gz GKRSIEXWNIMJNM-NSHDSACASA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000381547719 367428818 /nfs/dbraw/zinc/42/88/18/367428818.db2.gz LEKHSSCLKGLXRC-NEPJUHHUSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000381547720 367428924 /nfs/dbraw/zinc/42/89/24/367428924.db2.gz LEKHSSCLKGLXRC-NWDGAFQWSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000381547722 367428352 /nfs/dbraw/zinc/42/83/52/367428352.db2.gz LEKHSSCLKGLXRC-RYUDHWBXSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000381547723 367428722 /nfs/dbraw/zinc/42/87/22/367428722.db2.gz LEKHSSCLKGLXRC-VXGBXAGGSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(SCC)c1 ZINC000381563252 346356069 /nfs/dbraw/zinc/35/60/69/346356069.db2.gz SCZZFUIBHDEXMG-GFCCVEGCSA-N 1 0 235.396 3.853 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cccc(SCC)c1 ZINC000381563253 346356157 /nfs/dbraw/zinc/35/61/57/346356157.db2.gz SCZZFUIBHDEXMG-LBPRGKRZSA-N 1 0 235.396 3.853 20 30 BHEDRO CCCCCCC[NH2+]Cc1csc(CC)n1 ZINC000381573123 710656428 /nfs/dbraw/zinc/65/64/28/710656428.db2.gz YKIMPZXVSJSCNT-UHFFFAOYSA-N 1 0 240.416 3.766 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000381599129 710659252 /nfs/dbraw/zinc/65/92/52/710659252.db2.gz MVADLEBADKWFRK-KBPBESRZSA-N 1 0 235.758 3.665 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000381599131 710660229 /nfs/dbraw/zinc/66/02/29/710660229.db2.gz MVADLEBADKWFRK-KGLIPLIRSA-N 1 0 235.758 3.665 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000381599132 710659891 /nfs/dbraw/zinc/65/98/91/710659891.db2.gz MVADLEBADKWFRK-UONOGXRCSA-N 1 0 235.758 3.665 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000381599133 710659474 /nfs/dbraw/zinc/65/94/74/710659474.db2.gz MVADLEBADKWFRK-ZIAGYGMSSA-N 1 0 235.758 3.665 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000381600690 710659742 /nfs/dbraw/zinc/65/97/42/710659742.db2.gz NMPIQHWNQDTUMY-CYBMUJFWSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC1(SC)CC1 ZINC000381600693 710659906 /nfs/dbraw/zinc/65/99/06/710659906.db2.gz NMPIQHWNQDTUMY-ZDUSSCGKSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(Cl)o1)C1CC1 ZINC000381604639 538111467 /nfs/dbraw/zinc/11/14/67/538111467.db2.gz PNLNBWWSCWNJCS-GFCCVEGCSA-N 1 0 239.746 3.767 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccc(Cl)o1)C1CC1 ZINC000381604644 539004813 /nfs/dbraw/zinc/00/48/13/539004813.db2.gz PNLNBWWSCWNJCS-LBPRGKRZSA-N 1 0 239.746 3.767 20 30 BHEDRO CCCCCCC[NH2+]CC1(OC)CCCC1 ZINC000381604809 710660877 /nfs/dbraw/zinc/66/08/77/710660877.db2.gz PNMYGJQAJMYXNJ-UHFFFAOYSA-N 1 0 227.392 3.506 20 30 BHEDRO C=CCCCCCC[NH2+]C1CC(C(F)F)C1 ZINC000381609266 710660715 /nfs/dbraw/zinc/66/07/15/710660715.db2.gz RMGCJPJLGJDNFZ-UHFFFAOYSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000381609793 367437466 /nfs/dbraw/zinc/43/74/66/367437466.db2.gz RTFCPFWUIJUVOF-AWEZNQCLSA-N 1 0 235.758 3.883 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000381609797 367437959 /nfs/dbraw/zinc/43/79/59/367437959.db2.gz RTFCPFWUIJUVOF-CQSZACIVSA-N 1 0 235.758 3.883 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000381622021 487598065 /nfs/dbraw/zinc/59/80/65/487598065.db2.gz CVTGBRYCDHMXIB-KBPBESRZSA-N 1 0 227.367 3.851 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000381622022 487598379 /nfs/dbraw/zinc/59/83/79/487598379.db2.gz CVTGBRYCDHMXIB-KGLIPLIRSA-N 1 0 227.367 3.851 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000381622023 487598502 /nfs/dbraw/zinc/59/85/02/487598502.db2.gz CVTGBRYCDHMXIB-UONOGXRCSA-N 1 0 227.367 3.851 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000381622024 487598838 /nfs/dbraw/zinc/59/88/38/487598838.db2.gz CVTGBRYCDHMXIB-ZIAGYGMSSA-N 1 0 227.367 3.851 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000381644794 710665557 /nfs/dbraw/zinc/66/55/57/710665557.db2.gz BHYFMEZOLAZNNU-JTQLQIEISA-N 1 0 239.746 3.662 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000381644797 710664954 /nfs/dbraw/zinc/66/49/54/710664954.db2.gz BHYFMEZOLAZNNU-SNVBAGLBSA-N 1 0 239.746 3.662 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000381649334 346549570 /nfs/dbraw/zinc/54/95/70/346549570.db2.gz CTTPAHXROAVJDU-GFCCVEGCSA-N 1 0 221.344 3.849 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000381649335 346549289 /nfs/dbraw/zinc/54/92/89/346549289.db2.gz CTTPAHXROAVJDU-LBPRGKRZSA-N 1 0 221.344 3.849 20 30 BHEDRO C=C[C@@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000381741649 367453237 /nfs/dbraw/zinc/45/32/37/367453237.db2.gz PAYVEWCYYAXMSF-CYBMUJFWSA-N 1 0 217.356 3.517 20 30 BHEDRO C=C[C@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000381741658 367453009 /nfs/dbraw/zinc/45/30/09/367453009.db2.gz PAYVEWCYYAXMSF-ZDUSSCGKSA-N 1 0 217.356 3.517 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381749691 367453870 /nfs/dbraw/zinc/45/38/70/367453870.db2.gz NGYLEOJJUPACMU-LLVKDONJSA-N 1 0 209.358 3.673 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381749694 367454538 /nfs/dbraw/zinc/45/45/38/367454538.db2.gz NGYLEOJJUPACMU-NSHDSACASA-N 1 0 209.358 3.673 20 30 BHEDRO C=CCCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000381754995 367454368 /nfs/dbraw/zinc/45/43/68/367454368.db2.gz RYOIHNGCMDIKCV-LLVKDONJSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000381755002 367454501 /nfs/dbraw/zinc/45/45/01/367454501.db2.gz RYOIHNGCMDIKCV-NSHDSACASA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1sccc1C ZINC000381807287 367459807 /nfs/dbraw/zinc/45/98/07/367459807.db2.gz BFBSMBZOPOCCDO-UHFFFAOYSA-N 1 0 223.385 3.748 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccoc1 ZINC000381809405 367459656 /nfs/dbraw/zinc/45/96/56/367459656.db2.gz CIEGPVLPTKTZMU-LLVKDONJSA-N 1 0 207.317 3.533 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccoc1 ZINC000381809406 367459305 /nfs/dbraw/zinc/45/93/05/367459305.db2.gz CIEGPVLPTKTZMU-NSHDSACASA-N 1 0 207.317 3.533 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CC ZINC000381834595 367460862 /nfs/dbraw/zinc/46/08/62/367460862.db2.gz QJVONQMFFVYFME-CHWSQXEVSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CC ZINC000381834762 346884441 /nfs/dbraw/zinc/88/44/41/346884441.db2.gz QJVONQMFFVYFME-OLZOCXBDSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000381834763 346884419 /nfs/dbraw/zinc/88/44/19/346884419.db2.gz QJVONQMFFVYFME-QWHCGFSZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CC ZINC000381834764 346884528 /nfs/dbraw/zinc/88/45/28/346884528.db2.gz QJVONQMFFVYFME-STQMWFEESA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1F ZINC000381868571 367465313 /nfs/dbraw/zinc/46/53/13/367465313.db2.gz KBTGBOLKOHPMSS-UHFFFAOYSA-N 1 0 221.319 3.518 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(F)cc1 ZINC000381870494 346900603 /nfs/dbraw/zinc/90/06/03/346900603.db2.gz KPFKKFXGUDMMFG-UHFFFAOYSA-N 1 0 221.319 3.518 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381879837 398255417 /nfs/dbraw/zinc/25/54/17/398255417.db2.gz KHIGHVGVEDGOLE-PPWQZUPISA-N 1 0 221.388 3.757 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381879840 398282648 /nfs/dbraw/zinc/28/26/48/398282648.db2.gz KHIGHVGVEDGOLE-URGYJCLVSA-N 1 0 221.388 3.757 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381880407 398282289 /nfs/dbraw/zinc/28/22/89/398282289.db2.gz KHIGHVGVEDGOLE-VXGQWTEUSA-N 1 0 221.388 3.757 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381880408 398282493 /nfs/dbraw/zinc/28/24/93/398282493.db2.gz KHIGHVGVEDGOLE-XSCHDIRWSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC1CCC1 ZINC000381887535 398255244 /nfs/dbraw/zinc/25/52/44/398255244.db2.gz PTXIIDPGVKXBRG-GFCCVEGCSA-N 1 0 209.377 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC1CCC1 ZINC000381887536 398255409 /nfs/dbraw/zinc/25/54/09/398255409.db2.gz PTXIIDPGVKXBRG-LBPRGKRZSA-N 1 0 209.377 3.757 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381925944 398287277 /nfs/dbraw/zinc/28/72/77/398287277.db2.gz OWIFAVDOYTVXTI-PPWQZUPISA-N 1 0 221.388 3.757 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381925949 398287118 /nfs/dbraw/zinc/28/71/18/398287118.db2.gz OWIFAVDOYTVXTI-URGYJCLVSA-N 1 0 221.388 3.757 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381925950 398287038 /nfs/dbraw/zinc/28/70/38/398287038.db2.gz OWIFAVDOYTVXTI-VXGQWTEUSA-N 1 0 221.388 3.757 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381925964 398287025 /nfs/dbraw/zinc/28/70/25/398287025.db2.gz OWIFAVDOYTVXTI-XSCHDIRWSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000382004846 710765567 /nfs/dbraw/zinc/76/55/67/710765567.db2.gz KSLDEXSPECOFSD-SRVKXCTJSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000382004850 710765964 /nfs/dbraw/zinc/76/59/64/710765964.db2.gz KSLDEXSPECOFSD-WOPDTQHZSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000382036769 398255334 /nfs/dbraw/zinc/25/53/34/398255334.db2.gz SPSISPXVBGWNPL-JXQTWKCFSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CC2CCC1CC2 ZINC000382036770 398255456 /nfs/dbraw/zinc/25/54/56/398255456.db2.gz SPSISPXVBGWNPL-RUXDESIVSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccsc1 ZINC000382064119 367482216 /nfs/dbraw/zinc/48/22/16/367482216.db2.gz BAJBCMCGQFIHQI-GFCCVEGCSA-N 1 0 209.358 3.755 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccsc1 ZINC000382064120 367482554 /nfs/dbraw/zinc/48/25/54/367482554.db2.gz BAJBCMCGQFIHQI-LBPRGKRZSA-N 1 0 209.358 3.755 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382074024 398255934 /nfs/dbraw/zinc/25/59/34/398255934.db2.gz HJUYUAKATYPQGR-PPWQZUPISA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCCC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382074027 398256096 /nfs/dbraw/zinc/25/60/96/398256096.db2.gz HJUYUAKATYPQGR-URGYJCLVSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382074030 398304478 /nfs/dbraw/zinc/30/44/78/398304478.db2.gz HJUYUAKATYPQGR-VXGQWTEUSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCCC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382074034 398304327 /nfs/dbraw/zinc/30/43/27/398304327.db2.gz HJUYUAKATYPQGR-XSCHDIRWSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000382093405 710774779 /nfs/dbraw/zinc/77/47/79/710774779.db2.gz HKMUTTAZWDDZER-JXQTWKCFSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CC2CCC1CC2 ZINC000382093406 710774646 /nfs/dbraw/zinc/77/46/46/710774646.db2.gz HKMUTTAZWDDZER-RUXDESIVSA-N 1 0 221.388 3.757 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000382106049 398305400 /nfs/dbraw/zinc/30/54/00/398305400.db2.gz IIYAFJLFHNINEC-GFCCVEGCSA-N 1 0 215.340 3.618 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000382106050 398305235 /nfs/dbraw/zinc/30/52/35/398305235.db2.gz IIYAFJLFHNINEC-LBPRGKRZSA-N 1 0 215.340 3.618 20 30 BHEDRO C=C(Cl)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000382115676 710794566 /nfs/dbraw/zinc/79/45/66/710794566.db2.gz LYIKVHPAHLIXME-UHFFFAOYSA-N 1 0 235.758 3.796 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C1CCC2(CC2)CC1 ZINC000382115749 347191782 /nfs/dbraw/zinc/19/17/82/347191782.db2.gz MCYHPAIPFKAMBL-UHFFFAOYSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCSCC[NH2+][C@H](CC)c1ccsc1 ZINC000382115876 367488714 /nfs/dbraw/zinc/48/87/14/367488714.db2.gz LSIJDMYDEWXTQD-GFCCVEGCSA-N 1 0 241.425 3.708 20 30 BHEDRO C=CCSCC[NH2+][C@@H](CC)c1ccsc1 ZINC000382115885 367488468 /nfs/dbraw/zinc/48/84/68/367488468.db2.gz LSIJDMYDEWXTQD-LBPRGKRZSA-N 1 0 241.425 3.708 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382118779 710795580 /nfs/dbraw/zinc/79/55/80/710795580.db2.gz LLIDKNMMHAUBFW-IKWCTNDRSA-N 1 0 227.779 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382118783 710795458 /nfs/dbraw/zinc/79/54/58/710795458.db2.gz LLIDKNMMHAUBFW-WTIISPKJSA-N 1 0 227.779 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382118787 710795606 /nfs/dbraw/zinc/79/56/06/710795606.db2.gz LLIDKNMMHAUBFW-XVSSEFHLSA-N 1 0 227.779 3.543 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(C)(C)CC=C)C1CC1 ZINC000382145314 367491139 /nfs/dbraw/zinc/49/11/39/367491139.db2.gz NQWIFUCHXUUYHG-AWEZNQCLSA-N 1 0 221.388 3.923 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CC=C)C1CC1 ZINC000382145325 357367126 /nfs/dbraw/zinc/36/71/26/357367126.db2.gz NQWIFUCHXUUYHG-CQSZACIVSA-N 1 0 221.388 3.923 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCC[C@H]1F ZINC000382146437 367491209 /nfs/dbraw/zinc/49/12/09/367491209.db2.gz NYMPVWXUNMCAOE-UPJWGTAASA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@H]1F ZINC000382146440 367490415 /nfs/dbraw/zinc/49/04/15/367490415.db2.gz NYMPVWXUNMCAOE-XQQFMLRXSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)C1CCSCC1 ZINC000382180029 367494854 /nfs/dbraw/zinc/49/48/54/367494854.db2.gz ZEPSKWOZGATOLW-GFCCVEGCSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C1CCSCC1 ZINC000382180031 367494543 /nfs/dbraw/zinc/49/45/43/367494543.db2.gz ZEPSKWOZGATOLW-LBPRGKRZSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382195511 397919101 /nfs/dbraw/zinc/91/91/01/397919101.db2.gz RLDJFPKSZRLTHU-APSKQVOWSA-N 1 0 221.388 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382195513 397918859 /nfs/dbraw/zinc/91/88/59/397918859.db2.gz RLDJFPKSZRLTHU-DXGYCSDQSA-N 1 0 221.388 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382195514 397919199 /nfs/dbraw/zinc/91/91/99/397919199.db2.gz RLDJFPKSZRLTHU-FKQQDJLNSA-N 1 0 221.388 3.755 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382195516 397918769 /nfs/dbraw/zinc/91/87/69/397918769.db2.gz RLDJFPKSZRLTHU-FOZYDTHFSA-N 1 0 221.388 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000382207095 347233487 /nfs/dbraw/zinc/23/34/87/347233487.db2.gz GHLGOZULWHIQNH-HIFPTAJRSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000382207097 347233760 /nfs/dbraw/zinc/23/37/60/347233760.db2.gz GHLGOZULWHIQNH-PNESKVBLSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C)cs1 ZINC000382208593 367498389 /nfs/dbraw/zinc/49/83/89/367498389.db2.gz VMDJFLWNGMIZRQ-LLVKDONJSA-N 1 0 209.358 3.501 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C)cs1 ZINC000382208614 367498286 /nfs/dbraw/zinc/49/82/86/367498286.db2.gz VMDJFLWNGMIZRQ-NSHDSACASA-N 1 0 209.358 3.501 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382232611 347241304 /nfs/dbraw/zinc/24/13/04/347241304.db2.gz PWPOEPJXIZCMQU-JHJVBQTASA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1F ZINC000382232614 347241268 /nfs/dbraw/zinc/24/12/68/347241268.db2.gz PWPOEPJXIZCMQU-YNEHKIRRSA-N 1 0 213.340 3.602 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000382314341 711660136 /nfs/dbraw/zinc/66/01/36/711660136.db2.gz RCRSGCHGKXXISP-JTQLQIEISA-N 1 0 227.710 3.537 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000382314371 711660006 /nfs/dbraw/zinc/66/00/06/711660006.db2.gz RCRSGCHGKXXISP-SNVBAGLBSA-N 1 0 227.710 3.537 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000382323031 347278852 /nfs/dbraw/zinc/27/88/52/347278852.db2.gz UJUDYWJVTMHXIN-LLVKDONJSA-N 1 0 223.747 3.703 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000382323032 347278903 /nfs/dbraw/zinc/27/89/03/347278903.db2.gz UJUDYWJVTMHXIN-NSHDSACASA-N 1 0 223.747 3.703 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382331604 711475016 /nfs/dbraw/zinc/47/50/16/711475016.db2.gz WQCFVDYUXZCWFO-ZNMIVQPWSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)c1ccccc1C ZINC000382341691 367509601 /nfs/dbraw/zinc/50/96/01/367509601.db2.gz CHIRNSMKVSIDRD-UHFFFAOYSA-N 1 0 217.356 3.786 20 30 BHEDRO C=C[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000382354713 367511008 /nfs/dbraw/zinc/51/10/08/367511008.db2.gz GBAFZFZVEAHASD-GHMZBOCLSA-N 1 0 223.747 3.608 20 30 BHEDRO C=C[C@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000382354714 367510941 /nfs/dbraw/zinc/51/09/41/367510941.db2.gz GBAFZFZVEAHASD-MNOVXSKESA-N 1 0 223.747 3.608 20 30 BHEDRO C=C[C@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000382354715 367511140 /nfs/dbraw/zinc/51/11/40/367511140.db2.gz GBAFZFZVEAHASD-QWRGUYRKSA-N 1 0 223.747 3.608 20 30 BHEDRO C=C[C@@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000382354716 367510616 /nfs/dbraw/zinc/51/06/16/367510616.db2.gz GBAFZFZVEAHASD-WDEREUQCSA-N 1 0 223.747 3.608 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000382389941 367513507 /nfs/dbraw/zinc/51/35/07/367513507.db2.gz LTVIFAXAUTZZDH-GFCCVEGCSA-N 1 0 215.340 3.791 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000382389945 367513583 /nfs/dbraw/zinc/51/35/83/367513583.db2.gz LTVIFAXAUTZZDH-LBPRGKRZSA-N 1 0 215.340 3.791 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCC1=CCCC1 ZINC000382395727 367515303 /nfs/dbraw/zinc/51/53/03/367515303.db2.gz ZQCVQDKDIIPDRO-AWEZNQCLSA-N 1 0 207.361 3.821 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCC1=CCCC1 ZINC000382395729 367514983 /nfs/dbraw/zinc/51/49/83/367514983.db2.gz ZQCVQDKDIIPDRO-CQSZACIVSA-N 1 0 207.361 3.821 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000382412031 711657905 /nfs/dbraw/zinc/65/79/05/711657905.db2.gz HZOXZDPZQTXICR-QDMKHBRRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccncc1 ZINC000382420041 711911168 /nfs/dbraw/zinc/91/11/68/711911168.db2.gz QJDKOBBPWCKRNO-AWEZNQCLSA-N 1 0 232.371 3.869 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1ccncc1 ZINC000382420047 711911136 /nfs/dbraw/zinc/91/11/36/711911136.db2.gz QJDKOBBPWCKRNO-CQSZACIVSA-N 1 0 232.371 3.869 20 30 BHEDRO CCC1([NH2+]CCCC(C)(C)C#N)CCCC1 ZINC000382541144 367534787 /nfs/dbraw/zinc/53/47/87/367534787.db2.gz AXFWFBGBELAMAD-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCCC1 ZINC000382587361 350883167 /nfs/dbraw/zinc/88/31/67/350883167.db2.gz XVGOCWWMDKZIRI-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO CCC1([NH2+]Cc2cccc(C#N)c2F)CCCC1 ZINC000382593982 350883295 /nfs/dbraw/zinc/88/32/95/350883295.db2.gz GFBVTYVUFMSNQO-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO CCC1([NH2+]Cc2cc(C#N)ccc2F)CCCC1 ZINC000382603626 350893908 /nfs/dbraw/zinc/89/39/08/350893908.db2.gz QOHFUQKAZDGQMZ-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO CCC1([NH2+]Cc2ccc(C#N)cc2F)CCCC1 ZINC000382606250 350894058 /nfs/dbraw/zinc/89/40/58/350894058.db2.gz TVQVQGQBANNUGT-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)C1CCCC1 ZINC000382768015 367554294 /nfs/dbraw/zinc/55/42/94/367554294.db2.gz JCZKCNGUPBSPEN-AWEZNQCLSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1CCCC1 ZINC000382768016 367555257 /nfs/dbraw/zinc/55/52/57/367555257.db2.gz JCZKCNGUPBSPEN-CQSZACIVSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)C1CCCC1 ZINC000382785724 351051331 /nfs/dbraw/zinc/05/13/31/351051331.db2.gz KQWUBCFMZHPQCY-AWEZNQCLSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CCCC1 ZINC000382785727 351051491 /nfs/dbraw/zinc/05/14/91/351051491.db2.gz KQWUBCFMZHPQCY-CQSZACIVSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@H]([NH2+]Cc1cc(C#N)cs1)C1CCCC1 ZINC000382788049 351050380 /nfs/dbraw/zinc/05/03/80/351050380.db2.gz MXFVWWRXVOEGAE-AWEZNQCLSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)C1CCCC1 ZINC000382788050 351050529 /nfs/dbraw/zinc/05/05/29/351050529.db2.gz MXFVWWRXVOEGAE-CQSZACIVSA-N 1 0 248.395 3.678 20 30 BHEDRO C=CCCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000383007028 367583433 /nfs/dbraw/zinc/58/34/33/367583433.db2.gz HRHMQNNYIVAQDH-UHFFFAOYSA-N 1 0 233.330 3.628 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000383014774 367585365 /nfs/dbraw/zinc/58/53/65/367585365.db2.gz BYWUEQSWHXZMTO-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000383020872 710976601 /nfs/dbraw/zinc/97/66/01/710976601.db2.gz RFDBWZZMDOIAIX-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000383020876 710976770 /nfs/dbraw/zinc/97/67/70/710976770.db2.gz RFDBWZZMDOIAIX-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO CC(C)(CC[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000383032003 352003812 /nfs/dbraw/zinc/00/38/12/352003812.db2.gz BJUKORLTROIUBJ-UHFFFAOYSA-N 1 0 248.395 3.536 20 30 BHEDRO CCCCCCCC[NH2+]Cc1oc(C)nc1C ZINC000383032437 710841404 /nfs/dbraw/zinc/84/14/04/710841404.db2.gz DKZQRTKYKDBRQB-UHFFFAOYSA-N 1 0 238.375 3.742 20 30 BHEDRO C=CCCC[NH2+]C1CC(c2ccccc2C)C1 ZINC000383165187 367602220 /nfs/dbraw/zinc/60/22/20/367602220.db2.gz MOAHRFXJIPYDRA-UHFFFAOYSA-N 1 0 229.367 3.797 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000383349527 710980162 /nfs/dbraw/zinc/98/01/62/710980162.db2.gz NYCJTQQYLWTDLP-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000383349529 710979990 /nfs/dbraw/zinc/97/99/90/710979990.db2.gz NYCJTQQYLWTDLP-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000383364851 711626687 /nfs/dbraw/zinc/62/66/87/711626687.db2.gz USJBWEGITWBBJG-CYBMUJFWSA-N 1 0 233.355 3.708 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000383364854 711626990 /nfs/dbraw/zinc/62/69/90/711626990.db2.gz USJBWEGITWBBJG-ZDUSSCGKSA-N 1 0 233.355 3.708 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000383366603 711644266 /nfs/dbraw/zinc/64/42/66/711644266.db2.gz VKWNHHLZGSHUAT-CYBMUJFWSA-N 1 0 233.355 3.708 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000383366605 711644195 /nfs/dbraw/zinc/64/41/95/711644195.db2.gz VKWNHHLZGSHUAT-ZDUSSCGKSA-N 1 0 233.355 3.708 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000383375926 367618102 /nfs/dbraw/zinc/61/81/02/367618102.db2.gz ZIMJKQGEDDCHAI-LLVKDONJSA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000383375928 367618125 /nfs/dbraw/zinc/61/81/25/367618125.db2.gz ZIMJKQGEDDCHAI-NSHDSACASA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCCCC[NH2+]Cc1cccc(OCC)c1 ZINC000383412123 367620596 /nfs/dbraw/zinc/62/05/96/367620596.db2.gz URTIWUQTDRHBDV-UHFFFAOYSA-N 1 0 233.355 3.531 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000383469255 711472287 /nfs/dbraw/zinc/47/22/87/711472287.db2.gz PCCUFEHZTKNGBM-LLVKDONJSA-N 1 0 237.318 3.538 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000383469257 711472373 /nfs/dbraw/zinc/47/23/73/711472373.db2.gz PCCUFEHZTKNGBM-NSHDSACASA-N 1 0 237.318 3.538 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1cccc(C)c1 ZINC000383579522 711785124 /nfs/dbraw/zinc/78/51/24/711785124.db2.gz LNXAUEICGDPTKZ-AWEZNQCLSA-N 1 0 230.355 3.586 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(C)c1 ZINC000383579523 711785341 /nfs/dbraw/zinc/78/53/41/711785341.db2.gz LNXAUEICGDPTKZ-CQSZACIVSA-N 1 0 230.355 3.586 20 30 BHEDRO CC(C)C1CCC(C[NH2+]CC(C)(C)C#N)CC1 ZINC000383650813 367647241 /nfs/dbraw/zinc/64/72/41/367647241.db2.gz JDVVSVVGBOZZEH-UHFFFAOYSA-N 1 0 236.403 3.588 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000383741129 710895906 /nfs/dbraw/zinc/89/59/06/710895906.db2.gz CGXCRFAWDGCGQN-GFCCVEGCSA-N 1 0 233.355 3.645 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000383741131 710895915 /nfs/dbraw/zinc/89/59/15/710895915.db2.gz CGXCRFAWDGCGQN-LBPRGKRZSA-N 1 0 233.355 3.645 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000383781807 710920905 /nfs/dbraw/zinc/92/09/05/710920905.db2.gz PGEOZQQRLGURMO-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000383781808 710921198 /nfs/dbraw/zinc/92/11/98/710921198.db2.gz PGEOZQQRLGURMO-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000383787193 367652810 /nfs/dbraw/zinc/65/28/10/367652810.db2.gz KYCWPGLGPIGOBW-UHFFFAOYSA-N 1 0 228.339 3.614 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000383802609 710945118 /nfs/dbraw/zinc/94/51/18/710945118.db2.gz TYJCVOPHUBPBDL-HNNXBMFYSA-N 1 0 233.399 3.883 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000383802613 710944969 /nfs/dbraw/zinc/94/49/69/710944969.db2.gz TYJCVOPHUBPBDL-OAHLLOKOSA-N 1 0 233.399 3.883 20 30 BHEDRO CCCCCCC[NH2+]CC1(CC)CCOCC1 ZINC000383896432 710986349 /nfs/dbraw/zinc/98/63/49/710986349.db2.gz MWXFXPIXVIPCGK-UHFFFAOYSA-N 1 0 241.419 3.753 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000383984749 367666890 /nfs/dbraw/zinc/66/68/90/367666890.db2.gz KNTZXVFSEZMMKN-GFCCVEGCSA-N 1 0 233.355 3.645 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000383984761 367667102 /nfs/dbraw/zinc/66/71/02/367667102.db2.gz KNTZXVFSEZMMKN-LBPRGKRZSA-N 1 0 233.355 3.645 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000384000679 367668073 /nfs/dbraw/zinc/66/80/73/367668073.db2.gz OLLKCQPLLPWCNO-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000384000681 367668458 /nfs/dbraw/zinc/66/84/58/367668458.db2.gz OLLKCQPLLPWCNO-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000384053591 367669503 /nfs/dbraw/zinc/66/95/03/367669503.db2.gz SAMGOGPMWANIIQ-GFCCVEGCSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000384053608 367670281 /nfs/dbraw/zinc/67/02/81/367670281.db2.gz SAMGOGPMWANIIQ-LBPRGKRZSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C/C=C/c1ccccc1 ZINC000384067521 367670820 /nfs/dbraw/zinc/67/08/20/367670820.db2.gz UPGOCCMSPMWYGX-DHZHZOJOSA-N 1 0 229.367 3.892 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C/C=C\c1ccccc1 ZINC000384067525 367670929 /nfs/dbraw/zinc/67/09/29/367670929.db2.gz UPGOCCMSPMWYGX-FLIBITNWSA-N 1 0 229.367 3.892 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)C1CCCCC1 ZINC000384076489 350176266 /nfs/dbraw/zinc/17/62/66/350176266.db2.gz WNTAMHQXHJIJKL-ZIAGYGMSSA-N 1 0 236.403 3.684 20 30 BHEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000384138896 710990743 /nfs/dbraw/zinc/99/07/43/710990743.db2.gz CUALGKATEMPAJQ-AWEZNQCLSA-N 1 0 237.293 3.516 20 30 BHEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000384138897 710990664 /nfs/dbraw/zinc/99/06/64/710990664.db2.gz CUALGKATEMPAJQ-CQSZACIVSA-N 1 0 237.293 3.516 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000384150296 710990276 /nfs/dbraw/zinc/99/02/76/710990276.db2.gz PTHWQZASKVYTEH-INIZCTEOSA-N 1 0 229.367 3.839 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000384150309 710989891 /nfs/dbraw/zinc/98/98/91/710989891.db2.gz PTHWQZASKVYTEH-MRXNPFEDSA-N 1 0 229.367 3.839 20 30 BHEDRO C=CCCCCCC[NH2+]CCC1CCOCC1 ZINC000384157954 710989856 /nfs/dbraw/zinc/98/98/56/710989856.db2.gz RXBBYGNDKQFFNG-UHFFFAOYSA-N 1 0 239.403 3.529 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000384173090 367674761 /nfs/dbraw/zinc/67/47/61/367674761.db2.gz WZXSEQDIAHRAMA-HNNXBMFYSA-N 1 0 231.383 3.872 20 30 BHEDRO C=CCCC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000384173093 367674621 /nfs/dbraw/zinc/67/46/21/367674621.db2.gz WZXSEQDIAHRAMA-OAHLLOKOSA-N 1 0 231.383 3.872 20 30 BHEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc(C(F)F)c1 ZINC000384199416 710823413 /nfs/dbraw/zinc/82/34/13/710823413.db2.gz ZVFKMTCWTXOUFI-AWEZNQCLSA-N 1 0 237.293 3.516 20 30 BHEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc(C(F)F)c1 ZINC000384199417 710823539 /nfs/dbraw/zinc/82/35/39/710823539.db2.gz ZVFKMTCWTXOUFI-CQSZACIVSA-N 1 0 237.293 3.516 20 30 BHEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000384285710 367682172 /nfs/dbraw/zinc/68/21/72/367682172.db2.gz MLALGUWHHGVNOF-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000384285711 367681399 /nfs/dbraw/zinc/68/13/99/367681399.db2.gz MLALGUWHHGVNOF-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000384285713 367681238 /nfs/dbraw/zinc/68/12/38/367681238.db2.gz MLALGUWHHGVNOF-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000384285714 367681879 /nfs/dbraw/zinc/68/18/79/367681879.db2.gz MLALGUWHHGVNOF-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC000384503327 356662726 /nfs/dbraw/zinc/66/27/26/356662726.db2.gz DEHIJGQVCWCNRQ-JTQLQIEISA-N 1 0 236.384 3.534 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC000384503328 356662788 /nfs/dbraw/zinc/66/27/88/356662788.db2.gz DEHIJGQVCWCNRQ-SNVBAGLBSA-N 1 0 236.384 3.534 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cc(C#N)cs1 ZINC000384513704 356662646 /nfs/dbraw/zinc/66/26/46/356662646.db2.gz HXEKOBBCSPDYNS-JTQLQIEISA-N 1 0 236.384 3.534 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1cc(C#N)cs1 ZINC000384513705 356662929 /nfs/dbraw/zinc/66/29/29/356662929.db2.gz HXEKOBBCSPDYNS-SNVBAGLBSA-N 1 0 236.384 3.534 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]CC(C)(C)CCC#N ZINC000384545490 367699231 /nfs/dbraw/zinc/69/92/31/367699231.db2.gz PCQDIXKDPQTTQF-GFCCVEGCSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]CC(C)(C)CCC#N ZINC000384545491 367698462 /nfs/dbraw/zinc/69/84/62/367698462.db2.gz PCQDIXKDPQTTQF-LBPRGKRZSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)C[N@H+](CCC#N)C[C@H](C)c1ccccc1 ZINC000384600210 710994298 /nfs/dbraw/zinc/99/42/98/710994298.db2.gz NOZUFADSQHHWFD-HNNXBMFYSA-N 1 0 244.382 3.662 20 30 BHEDRO CC(C)C[N@H+](CCC#N)C[C@@H](C)c1ccccc1 ZINC000384600211 710994926 /nfs/dbraw/zinc/99/49/26/710994926.db2.gz NOZUFADSQHHWFD-OAHLLOKOSA-N 1 0 244.382 3.662 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000384853586 367743956 /nfs/dbraw/zinc/74/39/56/367743956.db2.gz MFUZDHBZTKOQJS-SECBINFHSA-N 1 0 238.400 3.623 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000384853594 367744678 /nfs/dbraw/zinc/74/46/78/367744678.db2.gz MFUZDHBZTKOQJS-VIFPVBQESA-N 1 0 238.400 3.623 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1nc(C)sc1C ZINC000384858276 398111929 /nfs/dbraw/zinc/11/19/29/398111929.db2.gz NMRDEWDPZQGAKQ-SECBINFHSA-N 1 0 238.400 3.623 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000384858277 398260371 /nfs/dbraw/zinc/26/03/71/398260371.db2.gz NMRDEWDPZQGAKQ-VIFPVBQESA-N 1 0 238.400 3.623 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1csc(C)c1 ZINC000384861522 367746650 /nfs/dbraw/zinc/74/66/50/367746650.db2.gz OKWLHTOOXCRSAL-LLVKDONJSA-N 1 0 223.385 3.919 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000384861523 367745824 /nfs/dbraw/zinc/74/58/24/367745824.db2.gz OKWLHTOOXCRSAL-NSHDSACASA-N 1 0 223.385 3.919 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ccc(SC)cc1 ZINC000384868307 367747067 /nfs/dbraw/zinc/74/70/67/367747067.db2.gz QJHQTLLTBUUBFJ-UHFFFAOYSA-N 1 0 235.396 3.710 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000384880799 367748573 /nfs/dbraw/zinc/74/85/73/367748573.db2.gz UMMWCTSJUKMKAJ-JTQLQIEISA-N 1 0 237.309 3.909 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000384880800 367748762 /nfs/dbraw/zinc/74/87/62/367748762.db2.gz UMMWCTSJUKMKAJ-SNVBAGLBSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cnc2ccccc2c1 ZINC000384880834 712703977 /nfs/dbraw/zinc/70/39/77/712703977.db2.gz UNWMHFKJWOCDMY-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ccncc1C ZINC000384888348 711000297 /nfs/dbraw/zinc/00/02/97/711000297.db2.gz XFJWXUKNPOJAAS-UHFFFAOYSA-N 1 0 232.371 3.616 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccccc1OC ZINC000384899978 367754005 /nfs/dbraw/zinc/75/40/05/367754005.db2.gz AAVXZWGRKMAIIK-GFCCVEGCSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000384899979 367753655 /nfs/dbraw/zinc/75/36/55/367753655.db2.gz AAVXZWGRKMAIIK-LBPRGKRZSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000384906109 367754822 /nfs/dbraw/zinc/75/48/22/367754822.db2.gz AJMMKCVATASZDM-GFCCVEGCSA-N 1 0 235.346 3.559 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000384906110 367754901 /nfs/dbraw/zinc/75/49/01/367754901.db2.gz AJMMKCVATASZDM-LBPRGKRZSA-N 1 0 235.346 3.559 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccccc1 ZINC000384909374 367754261 /nfs/dbraw/zinc/75/42/61/367754261.db2.gz BLUSLLHPIWKXDF-GFCCVEGCSA-N 1 0 203.329 3.549 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccccc1 ZINC000384909376 367754551 /nfs/dbraw/zinc/75/45/51/367754551.db2.gz BLUSLLHPIWKXDF-LBPRGKRZSA-N 1 0 203.329 3.549 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000384913844 367756554 /nfs/dbraw/zinc/75/65/54/367756554.db2.gz DYRWZNGVZJKLOI-GFCCVEGCSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000384913846 367756258 /nfs/dbraw/zinc/75/62/58/367756258.db2.gz DYRWZNGVZJKLOI-LBPRGKRZSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cccc2cccnc21 ZINC000384913980 367755716 /nfs/dbraw/zinc/75/57/16/367755716.db2.gz COGTWMYEIQKIOA-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000384917430 398117778 /nfs/dbraw/zinc/11/77/78/398117778.db2.gz DLXDXQINLGAPSO-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000384918280 367757109 /nfs/dbraw/zinc/75/71/09/367757109.db2.gz DSSYZWHQMYJHSX-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000384921323 367757035 /nfs/dbraw/zinc/75/70/35/367757035.db2.gz GMQVIFWBXFQURC-GFCCVEGCSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000384921324 367756784 /nfs/dbraw/zinc/75/67/84/367756784.db2.gz GMQVIFWBXFQURC-LBPRGKRZSA-N 1 0 233.355 3.558 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000384924072 710999308 /nfs/dbraw/zinc/99/93/08/710999308.db2.gz GZBGIDVKCKCBTQ-GFCCVEGCSA-N 1 0 233.355 3.563 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000384924091 711000543 /nfs/dbraw/zinc/00/05/43/711000543.db2.gz GZBGIDVKCKCBTQ-LBPRGKRZSA-N 1 0 233.355 3.563 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000384925644 367758402 /nfs/dbraw/zinc/75/84/02/367758402.db2.gz DJWSVFNSHHFLHD-GJZGRUSLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000384925654 367758561 /nfs/dbraw/zinc/75/85/61/367758561.db2.gz DJWSVFNSHHFLHD-HUUCEWRRSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000384926274 367758248 /nfs/dbraw/zinc/75/82/48/367758248.db2.gz GJHSCZZNISYWBF-JTQLQIEISA-N 1 0 239.309 3.828 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000384926277 367759130 /nfs/dbraw/zinc/75/91/30/367759130.db2.gz GJHSCZZNISYWBF-SNVBAGLBSA-N 1 0 239.309 3.828 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000384928580 367760449 /nfs/dbraw/zinc/76/04/49/367760449.db2.gz HVDPCRVQQKFJBD-AWEZNQCLSA-N 1 0 233.330 3.615 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000384928583 367760434 /nfs/dbraw/zinc/76/04/34/367760434.db2.gz HVDPCRVQQKFJBD-CQSZACIVSA-N 1 0 233.330 3.615 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000384930470 367760024 /nfs/dbraw/zinc/76/00/24/367760024.db2.gz HIQYHOKMDPXOBZ-GHMZBOCLSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000384930471 367760425 /nfs/dbraw/zinc/76/04/25/367760425.db2.gz HIQYHOKMDPXOBZ-MNOVXSKESA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000384930473 367759948 /nfs/dbraw/zinc/75/99/48/367759948.db2.gz HIQYHOKMDPXOBZ-QWRGUYRKSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000384930475 367760654 /nfs/dbraw/zinc/76/06/54/367760654.db2.gz HIQYHOKMDPXOBZ-WDEREUQCSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC(C)(C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000384932462 367759932 /nfs/dbraw/zinc/75/99/32/367759932.db2.gz HPMZNEAEPRDVKJ-UHFFFAOYSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000384933835 712705407 /nfs/dbraw/zinc/70/54/07/712705407.db2.gz IUWOFBUJFUYBOK-GFCCVEGCSA-N 1 0 233.355 3.563 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000384933837 712705577 /nfs/dbraw/zinc/70/55/77/712705577.db2.gz IUWOFBUJFUYBOK-LBPRGKRZSA-N 1 0 233.355 3.563 20 30 BHEDRO C=CC(C)(C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000384945548 367762850 /nfs/dbraw/zinc/76/28/50/367762850.db2.gz KSQUZKBCMQHKEU-UHFFFAOYSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000384980500 367768886 /nfs/dbraw/zinc/76/88/86/367768886.db2.gz QQVMVCUSUWUDOZ-AWEZNQCLSA-N 1 0 233.330 3.615 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000384980501 367768924 /nfs/dbraw/zinc/76/89/24/367768924.db2.gz QQVMVCUSUWUDOZ-CQSZACIVSA-N 1 0 233.330 3.615 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CC(C)(C)C1CCC1 ZINC000384992542 350704255 /nfs/dbraw/zinc/70/42/55/350704255.db2.gz TYLUONGOVMPJTH-UHFFFAOYSA-N 1 0 236.403 3.732 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](CC)c1ccccc1O ZINC000384993668 712707854 /nfs/dbraw/zinc/70/78/54/712707854.db2.gz UDDPYDAYLINENG-CYBMUJFWSA-N 1 0 233.355 3.645 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](CC)c1ccccc1O ZINC000384993669 712707790 /nfs/dbraw/zinc/70/77/90/712707790.db2.gz UDDPYDAYLINENG-ZDUSSCGKSA-N 1 0 233.355 3.645 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cc2ccccc2o1 ZINC000385001965 367770930 /nfs/dbraw/zinc/77/09/30/367770930.db2.gz VVPWINYZBMTHLT-UHFFFAOYSA-N 1 0 229.323 3.735 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1coc2ccccc12 ZINC000385009389 367772175 /nfs/dbraw/zinc/77/21/75/367772175.db2.gz XNBLVNBEOBSKDE-UHFFFAOYSA-N 1 0 229.323 3.735 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000385030529 367775555 /nfs/dbraw/zinc/77/55/55/367775555.db2.gz KOEALQHUGYUOOD-JTQLQIEISA-N 1 0 239.309 3.828 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000385030533 367775409 /nfs/dbraw/zinc/77/54/09/367775409.db2.gz KOEALQHUGYUOOD-SNVBAGLBSA-N 1 0 239.309 3.828 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000385031019 367775136 /nfs/dbraw/zinc/77/51/36/367775136.db2.gz GTCSBWMHBIACKO-HNNXBMFYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000385031020 367776072 /nfs/dbraw/zinc/77/60/72/367776072.db2.gz GTCSBWMHBIACKO-OAHLLOKOSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000385033187 367775191 /nfs/dbraw/zinc/77/51/91/367775191.db2.gz LHWMKYMRQBKLTC-GFCCVEGCSA-N 1 0 235.346 3.559 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000385033189 367775301 /nfs/dbraw/zinc/77/53/01/367775301.db2.gz LHWMKYMRQBKLTC-LBPRGKRZSA-N 1 0 235.346 3.559 20 30 BHEDRO C=CC(C)(C)C[NH2+]C/C=C/c1ccccc1 ZINC000385033801 367775809 /nfs/dbraw/zinc/77/58/09/367775809.db2.gz LNQCXZGPWZPFIX-DHZHZOJOSA-N 1 0 215.340 3.502 20 30 BHEDRO C=CC(C)(C)C[NH2+]C/C=C\c1ccccc1 ZINC000385033803 367775670 /nfs/dbraw/zinc/77/56/70/367775670.db2.gz LNQCXZGPWZPFIX-FLIBITNWSA-N 1 0 215.340 3.502 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ccc(Cl)s1 ZINC000385035894 367776666 /nfs/dbraw/zinc/77/66/66/367776666.db2.gz MDARKJCHUGIAKV-UHFFFAOYSA-N 1 0 229.776 3.703 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000385036810 367776731 /nfs/dbraw/zinc/77/67/31/367776731.db2.gz MHYAOYJFKBVTEP-UHFFFAOYSA-N 1 0 239.309 3.926 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cc(Cl)cs1 ZINC000385036818 367777095 /nfs/dbraw/zinc/77/70/95/367777095.db2.gz MIHACEZNESUZEJ-UHFFFAOYSA-N 1 0 229.776 3.703 20 30 BHEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC000385041463 356875516 /nfs/dbraw/zinc/87/55/16/356875516.db2.gz NZFGDTUJAQEMBI-UHFFFAOYSA-N 1 0 248.395 3.536 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cncc2ccccc21 ZINC000385043049 711004133 /nfs/dbraw/zinc/00/41/33/711004133.db2.gz ONBVZGZPPXXAQJ-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccsc1 ZINC000385048721 367779110 /nfs/dbraw/zinc/77/91/10/367779110.db2.gz QGGHLQCFJAQVNX-JTQLQIEISA-N 1 0 209.358 3.611 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccsc1 ZINC000385048724 367778629 /nfs/dbraw/zinc/77/86/29/367778629.db2.gz QGGHLQCFJAQVNX-SNVBAGLBSA-N 1 0 209.358 3.611 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1sccc1Cl ZINC000385052015 367780586 /nfs/dbraw/zinc/78/05/86/367780586.db2.gz QZSSRPXEMIJTJV-UHFFFAOYSA-N 1 0 229.776 3.703 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccs1 ZINC000385054851 367781124 /nfs/dbraw/zinc/78/11/24/367781124.db2.gz RWUDJJZRUCWBCE-JTQLQIEISA-N 1 0 209.358 3.611 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccs1 ZINC000385054852 367780479 /nfs/dbraw/zinc/78/04/79/367780479.db2.gz RWUDJJZRUCWBCE-SNVBAGLBSA-N 1 0 209.358 3.611 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ccnc2ccccc12 ZINC000385055959 367780398 /nfs/dbraw/zinc/78/03/98/367780398.db2.gz SDZHBHDAIOJUMJ-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)C1CCC1 ZINC000385058623 387055608 /nfs/dbraw/zinc/05/56/08/387055608.db2.gz SWUIREDYGATGOQ-UHFFFAOYSA-N 1 0 248.395 3.536 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000385067467 367782884 /nfs/dbraw/zinc/78/28/84/367782884.db2.gz VQQQGDCNXOZRCV-HNNXBMFYSA-N 1 0 245.366 3.571 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000385067468 367783095 /nfs/dbraw/zinc/78/30/95/367783095.db2.gz VQQQGDCNXOZRCV-OAHLLOKOSA-N 1 0 245.366 3.571 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cccc2cnccc21 ZINC000385071939 398261127 /nfs/dbraw/zinc/26/11/27/398261127.db2.gz WRLZJOLXVAHNDC-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000385075773 711004400 /nfs/dbraw/zinc/00/44/00/711004400.db2.gz VHZFZNZRZAVWNK-UHFFFAOYSA-N 1 0 249.402 3.690 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000385079067 711004371 /nfs/dbraw/zinc/00/43/71/711004371.db2.gz YFVKMHWTPHMLMZ-GFCCVEGCSA-N 1 0 235.346 3.559 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000385079069 711004763 /nfs/dbraw/zinc/00/47/63/711004763.db2.gz YFVKMHWTPHMLMZ-LBPRGKRZSA-N 1 0 235.346 3.559 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000385134338 344917730 /nfs/dbraw/zinc/91/77/30/344917730.db2.gz HMTHXHLNOGDDPM-LLVKDONJSA-N 1 0 221.344 3.759 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000385134353 367798928 /nfs/dbraw/zinc/79/89/28/367798928.db2.gz HMTHXHLNOGDDPM-NSHDSACASA-N 1 0 221.344 3.759 20 30 BHEDRO CC(C)C([NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000385134796 356905910 /nfs/dbraw/zinc/90/59/10/356905910.db2.gz VONPQEHWLAVEIA-CYBMUJFWSA-N 1 0 244.382 3.889 20 30 BHEDRO CC(C)C([NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000385134798 356906038 /nfs/dbraw/zinc/90/60/38/356906038.db2.gz VONPQEHWLAVEIA-ZDUSSCGKSA-N 1 0 244.382 3.889 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccccc1F ZINC000385136508 367799814 /nfs/dbraw/zinc/79/98/14/367799814.db2.gz HTXGJSZJBXGMBQ-LLVKDONJSA-N 1 0 221.319 3.689 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccccc1F ZINC000385136518 344918999 /nfs/dbraw/zinc/91/89/99/344918999.db2.gz HTXGJSZJBXGMBQ-NSHDSACASA-N 1 0 221.319 3.689 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC000385142098 397965849 /nfs/dbraw/zinc/96/58/49/397965849.db2.gz MDZHEPCMPLRTPD-LLVKDONJSA-N 1 0 248.345 3.612 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC000385142099 387293708 /nfs/dbraw/zinc/29/37/08/387293708.db2.gz MDZHEPCMPLRTPD-NSHDSACASA-N 1 0 248.345 3.612 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCC1(C)C ZINC000385155043 367802154 /nfs/dbraw/zinc/80/21/54/367802154.db2.gz ZWCZZQSYJCEYSQ-HNNXBMFYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCC1(C)C ZINC000385155045 367802170 /nfs/dbraw/zinc/80/21/70/367802170.db2.gz ZWCZZQSYJCEYSQ-OAHLLOKOSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000385170750 711006846 /nfs/dbraw/zinc/00/68/46/711006846.db2.gz OOPVEJTVJOQGDT-AWEZNQCLSA-N 1 0 249.402 3.690 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000385170751 711006979 /nfs/dbraw/zinc/00/69/79/711006979.db2.gz OOPVEJTVJOQGDT-CQSZACIVSA-N 1 0 249.402 3.690 20 30 BHEDRO C#CCCC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000385203980 711007084 /nfs/dbraw/zinc/00/70/84/711007084.db2.gz SPLGAFZNBMQTKZ-HNNXBMFYSA-N 1 0 241.378 3.701 20 30 BHEDRO C#CCCC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000385203983 711006660 /nfs/dbraw/zinc/00/66/60/711006660.db2.gz SPLGAFZNBMQTKZ-OAHLLOKOSA-N 1 0 241.378 3.701 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000385240395 367812627 /nfs/dbraw/zinc/81/26/27/367812627.db2.gz VJKSACCEPLVTRQ-LLVKDONJSA-N 1 0 221.319 3.689 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000385240396 367811536 /nfs/dbraw/zinc/81/15/36/367811536.db2.gz VJKSACCEPLVTRQ-NSHDSACASA-N 1 0 221.319 3.689 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385385254 352564849 /nfs/dbraw/zinc/56/48/49/352564849.db2.gz PWHXVJSZOOQNID-HSBZDZAISA-N 1 0 241.444 3.853 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385385255 367825099 /nfs/dbraw/zinc/82/50/99/367825099.db2.gz PWHXVJSZOOQNID-IYXRBSQSSA-N 1 0 241.444 3.853 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000385434002 367829067 /nfs/dbraw/zinc/82/90/67/367829067.db2.gz FROPRSKAFPLHKX-CYBMUJFWSA-N 1 0 247.382 3.515 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000385434005 367828580 /nfs/dbraw/zinc/82/85/80/367828580.db2.gz FROPRSKAFPLHKX-ZDUSSCGKSA-N 1 0 247.382 3.515 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1sccc1C ZINC000385437090 367828906 /nfs/dbraw/zinc/82/89/06/367828906.db2.gz GMASRHVQDLHSDZ-LLVKDONJSA-N 1 0 223.385 3.919 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1sccc1C ZINC000385437238 367828701 /nfs/dbraw/zinc/82/87/01/367828701.db2.gz GMASRHVQDLHSDZ-NSHDSACASA-N 1 0 223.385 3.919 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000385443341 711013626 /nfs/dbraw/zinc/01/36/26/711013626.db2.gz HVIYHXBGDDDDPG-CYBMUJFWSA-N 1 0 246.398 3.615 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000385443342 711012448 /nfs/dbraw/zinc/01/24/48/711012448.db2.gz HVIYHXBGDDDDPG-ZDUSSCGKSA-N 1 0 246.398 3.615 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000385458240 342797235 /nfs/dbraw/zinc/79/72/35/342797235.db2.gz KJQMKHNEMGZPFJ-LLVKDONJSA-N 1 0 223.385 3.919 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000385458241 342797415 /nfs/dbraw/zinc/79/74/15/342797415.db2.gz KJQMKHNEMGZPFJ-NSHDSACASA-N 1 0 223.385 3.919 20 30 BHEDRO C=CCCCC[NH2+]C1CCC(CSC)CC1 ZINC000385462232 386758714 /nfs/dbraw/zinc/75/87/14/386758714.db2.gz WAWIQRHOIIRHHX-UHFFFAOYSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CC(C)(C)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000385470984 367832611 /nfs/dbraw/zinc/83/26/11/367832611.db2.gz MMSMJHLLPDTZOP-UHFFFAOYSA-N 1 0 247.357 3.874 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(OCC=C)cc1 ZINC000385554736 367842444 /nfs/dbraw/zinc/84/24/44/367842444.db2.gz XZJLBPAXDQPSCD-UHFFFAOYSA-N 1 0 245.366 3.697 20 30 BHEDRO C=CC(C)(C)C[NH2+]C1CCC(CSC)CC1 ZINC000385556252 367842153 /nfs/dbraw/zinc/84/21/53/367842153.db2.gz OAWTXSJRWIGZJS-UHFFFAOYSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000385556548 367843756 /nfs/dbraw/zinc/84/37/56/367843756.db2.gz RZVMHWHETLGATL-AWEZNQCLSA-N 1 0 247.382 3.572 20 30 BHEDRO C=CCCC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000385556550 367843965 /nfs/dbraw/zinc/84/39/65/367843965.db2.gz RZVMHWHETLGATL-CQSZACIVSA-N 1 0 247.382 3.572 20 30 BHEDRO C=CC(C)(C)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000385557994 367843129 /nfs/dbraw/zinc/84/31/29/367843129.db2.gz XZJPAMSREMILGM-UHFFFAOYSA-N 1 0 247.357 3.874 20 30 BHEDRO C=CC(C)(C)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000385571792 367843377 /nfs/dbraw/zinc/84/33/77/367843377.db2.gz ZWSMERPYVYTWSG-UHFFFAOYSA-N 1 0 247.357 3.874 20 30 BHEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000385576945 359330139 /nfs/dbraw/zinc/33/01/39/359330139.db2.gz AUXKHRKXFKUAGM-APHBMKBZSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000385576948 359330745 /nfs/dbraw/zinc/33/07/45/359330745.db2.gz AUXKHRKXFKUAGM-DAXOMENPSA-N 1 0 242.366 3.643 20 30 BHEDRO C=CCCCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000385630690 367848449 /nfs/dbraw/zinc/84/84/49/367848449.db2.gz SFYURHFYWVLKCV-UHFFFAOYSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000385816715 367866797 /nfs/dbraw/zinc/86/67/97/367866797.db2.gz OFBFEYIPGHIHSL-UHFFFAOYSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000385954693 367890148 /nfs/dbraw/zinc/89/01/48/367890148.db2.gz AJZAROGZNRRLDV-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000386090287 367910908 /nfs/dbraw/zinc/91/09/08/367910908.db2.gz PAUCNVFKDFQYIH-KBPBESRZSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000386090295 367911393 /nfs/dbraw/zinc/91/13/93/367911393.db2.gz PAUCNVFKDFQYIH-KGLIPLIRSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000386090298 367911384 /nfs/dbraw/zinc/91/13/84/367911384.db2.gz PAUCNVFKDFQYIH-UONOGXRCSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000386090302 367911301 /nfs/dbraw/zinc/91/13/01/367911301.db2.gz PAUCNVFKDFQYIH-ZIAGYGMSSA-N 1 0 248.414 3.827 20 30 BHEDRO CC[N@H+](CCCCC(C)(C)C#N)CCC1CC1 ZINC000386131871 367915454 /nfs/dbraw/zinc/91/54/54/367915454.db2.gz VJUSFZCDBFSFKN-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000386159151 711024170 /nfs/dbraw/zinc/02/41/70/711024170.db2.gz FDHYZMACUMTGJD-KBPBESRZSA-N 1 0 249.402 3.839 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000386159152 711023119 /nfs/dbraw/zinc/02/31/19/711023119.db2.gz FDHYZMACUMTGJD-KGLIPLIRSA-N 1 0 249.402 3.839 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000386159153 711023344 /nfs/dbraw/zinc/02/33/44/711023344.db2.gz FDHYZMACUMTGJD-UONOGXRCSA-N 1 0 249.402 3.839 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000386159154 711023050 /nfs/dbraw/zinc/02/30/50/711023050.db2.gz FDHYZMACUMTGJD-ZIAGYGMSSA-N 1 0 249.402 3.839 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000386251392 711026791 /nfs/dbraw/zinc/02/67/91/711026791.db2.gz SRQYNAQDHNYENU-CYBMUJFWSA-N 1 0 245.366 3.571 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000386251393 711025867 /nfs/dbraw/zinc/02/58/67/711025867.db2.gz SRQYNAQDHNYENU-ZDUSSCGKSA-N 1 0 245.366 3.571 20 30 BHEDRO CC[N@H+](Cc1cc(C#N)ccc1F)CC(C)(C)C ZINC000386394576 362977465 /nfs/dbraw/zinc/97/74/65/362977465.db2.gz VVTDCRGBHSGSJT-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO CCC[N@@H+](Cc1cccc(C#N)c1F)CC(C)C ZINC000386433786 362986895 /nfs/dbraw/zinc/98/68/95/362986895.db2.gz ATAAPQWJYUQBNH-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000386438833 711029160 /nfs/dbraw/zinc/02/91/60/711029160.db2.gz CAMAJMSUGJHJNV-CYBMUJFWSA-N 1 0 247.382 3.954 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000386438836 711029113 /nfs/dbraw/zinc/02/91/13/711029113.db2.gz CAMAJMSUGJHJNV-ZDUSSCGKSA-N 1 0 247.382 3.954 20 30 BHEDRO CC(C)(C)C(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000386470748 362997469 /nfs/dbraw/zinc/99/74/69/362997469.db2.gz HEBAIUXNMVMKGS-UHFFFAOYSA-N 1 0 244.382 3.720 20 30 BHEDRO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)CC(C)C ZINC000386633613 363022005 /nfs/dbraw/zinc/02/20/05/363022005.db2.gz QCKPQGLKKHIKFK-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccccc1F ZINC000386641746 368004809 /nfs/dbraw/zinc/00/48/09/368004809.db2.gz AEGZPZFLGZWACE-AWEZNQCLSA-N 1 0 221.319 3.833 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccccc1F ZINC000386641747 368005153 /nfs/dbraw/zinc/00/51/53/368005153.db2.gz AEGZPZFLGZWACE-CQSZACIVSA-N 1 0 221.319 3.833 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000386677401 368009909 /nfs/dbraw/zinc/00/99/09/368009909.db2.gz HLTKYSNXIFODCT-UHFFFAOYSA-N 1 0 215.340 3.620 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000386692039 368010121 /nfs/dbraw/zinc/01/01/21/368010121.db2.gz KQQHNDGITBJXHQ-CYBMUJFWSA-N 1 0 233.380 3.779 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCSc2ccccc21 ZINC000386692040 343091590 /nfs/dbraw/zinc/09/15/90/343091590.db2.gz KQQHNDGITBJXHQ-ZDUSSCGKSA-N 1 0 233.380 3.779 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cccc(C2CC2)c1 ZINC000386698128 368011256 /nfs/dbraw/zinc/01/12/56/368011256.db2.gz MDTNWMFWNBKVQU-UHFFFAOYSA-N 1 0 215.340 3.620 20 30 BHEDRO C=C(C)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000386701815 368011164 /nfs/dbraw/zinc/01/11/64/368011164.db2.gz NDTWJKDZUANEHH-UHFFFAOYSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000386712633 368011857 /nfs/dbraw/zinc/01/18/57/368011857.db2.gz PVFXCEWNVXUSTB-DOMZBBRYSA-N 1 0 215.340 3.791 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000386712634 368011973 /nfs/dbraw/zinc/01/19/73/368011973.db2.gz PVFXCEWNVXUSTB-IUODEOHRSA-N 1 0 215.340 3.791 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000386712635 368011994 /nfs/dbraw/zinc/01/19/94/368011994.db2.gz PVFXCEWNVXUSTB-SWLSCSKDSA-N 1 0 215.340 3.791 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000386712636 368012043 /nfs/dbraw/zinc/01/20/43/368012043.db2.gz PVFXCEWNVXUSTB-WFASDCNBSA-N 1 0 215.340 3.791 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)Cc1ccccc1 ZINC000386722798 368013665 /nfs/dbraw/zinc/01/36/65/368013665.db2.gz SMHWFFINZYFTAP-HNNXBMFYSA-N 1 0 217.356 3.564 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)Cc1ccccc1 ZINC000386722804 368013103 /nfs/dbraw/zinc/01/31/03/368013103.db2.gz SMHWFFINZYFTAP-OAHLLOKOSA-N 1 0 217.356 3.564 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000386725240 368012700 /nfs/dbraw/zinc/01/27/00/368012700.db2.gz ACDGJGZFWFJRIU-INIZCTEOSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000386725245 368013355 /nfs/dbraw/zinc/01/33/55/368013355.db2.gz ACDGJGZFWFJRIU-MRXNPFEDSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(C)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000386732381 368015019 /nfs/dbraw/zinc/01/50/19/368015019.db2.gz BKSQRZBYJFFXLA-UHFFFAOYSA-N 1 0 233.330 3.628 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccccc1C1CC1 ZINC000386736166 398217994 /nfs/dbraw/zinc/21/79/94/398217994.db2.gz WWXYNQYQMYBOCT-UHFFFAOYSA-N 1 0 215.340 3.620 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000386736571 368014251 /nfs/dbraw/zinc/01/42/51/368014251.db2.gz WYEQLBRNLKJRKN-UHFFFAOYSA-N 1 0 225.282 3.680 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000386738309 368014305 /nfs/dbraw/zinc/01/43/05/368014305.db2.gz XNUPRXDJXFDTOE-GHMZBOCLSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000386738310 368014068 /nfs/dbraw/zinc/01/40/68/368014068.db2.gz XNUPRXDJXFDTOE-MNOVXSKESA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000386738311 368015040 /nfs/dbraw/zinc/01/50/40/368015040.db2.gz XNUPRXDJXFDTOE-QWRGUYRKSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000386738312 368014843 /nfs/dbraw/zinc/01/48/43/368014843.db2.gz XNUPRXDJXFDTOE-WDEREUQCSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(C)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000386749656 388576464 /nfs/dbraw/zinc/57/64/64/388576464.db2.gz GFHLYKPTYIOETB-UHFFFAOYSA-N 1 0 233.330 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000386755695 711035994 /nfs/dbraw/zinc/03/59/94/711035994.db2.gz HKXXGJBSJJUCBV-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000386755700 711036028 /nfs/dbraw/zinc/03/60/28/711036028.db2.gz HKXXGJBSJJUCBV-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccccc1OCC ZINC000386759717 368019283 /nfs/dbraw/zinc/01/92/83/368019283.db2.gz IEGTWDNQITVOSZ-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccccc1OCC ZINC000386759718 368019529 /nfs/dbraw/zinc/01/95/29/368019529.db2.gz IEGTWDNQITVOSZ-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000386761863 711035662 /nfs/dbraw/zinc/03/56/62/711035662.db2.gz IOFAFVPSVOARNT-HNNXBMFYSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000386761865 711035718 /nfs/dbraw/zinc/03/57/18/711035718.db2.gz IOFAFVPSVOARNT-OAHLLOKOSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000386767001 368019425 /nfs/dbraw/zinc/01/94/25/368019425.db2.gz JQXNBMNULWZUFH-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000386767002 368019581 /nfs/dbraw/zinc/01/95/81/368019581.db2.gz JQXNBMNULWZUFH-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000386776169 368021811 /nfs/dbraw/zinc/02/18/11/368021811.db2.gz LIUYEHIQKXCSCT-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000386776172 368022267 /nfs/dbraw/zinc/02/22/67/368022267.db2.gz LIUYEHIQKXCSCT-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccccc1OC(C)C ZINC000386780992 343112381 /nfs/dbraw/zinc/11/23/81/343112381.db2.gz MGSCUHMQQZXGRP-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000386781054 368022254 /nfs/dbraw/zinc/02/22/54/368022254.db2.gz MHHNTDUJTOSLDL-AWEZNQCLSA-N 1 0 247.382 3.572 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000386781055 368022075 /nfs/dbraw/zinc/02/20/75/368022075.db2.gz MHHNTDUJTOSLDL-CQSZACIVSA-N 1 0 247.382 3.572 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000386784227 368022227 /nfs/dbraw/zinc/02/22/27/368022227.db2.gz MYSATNODSQYDLP-CYBMUJFWSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000386784234 368021763 /nfs/dbraw/zinc/02/17/63/368021763.db2.gz MYSATNODSQYDLP-ZDUSSCGKSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(C)CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000386784680 368021629 /nfs/dbraw/zinc/02/16/29/368021629.db2.gz MZJDGRYERRLUAM-UHFFFAOYSA-N 1 0 229.367 3.797 20 30 BHEDRO C=C(C)CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000386792043 368023488 /nfs/dbraw/zinc/02/34/88/368023488.db2.gz OLKTXGNHXBNJKF-UHFFFAOYSA-N 1 0 233.330 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000386803688 363045895 /nfs/dbraw/zinc/04/58/95/363045895.db2.gz QNVIAFIYURCMED-CYBMUJFWSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000386803689 363046202 /nfs/dbraw/zinc/04/62/02/363046202.db2.gz QNVIAFIYURCMED-ZDUSSCGKSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(C)CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000386813463 368024737 /nfs/dbraw/zinc/02/47/37/368024737.db2.gz SCPYTIDTXVFKCV-UHFFFAOYSA-N 1 0 229.367 3.797 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cccc(OCCC)c1 ZINC000386817627 368024224 /nfs/dbraw/zinc/02/42/24/368024224.db2.gz SVHHESSUMYPTFX-UHFFFAOYSA-N 1 0 233.355 3.531 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000386823661 368025236 /nfs/dbraw/zinc/02/52/36/368025236.db2.gz UOALPNFORREDNN-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000386829530 368026177 /nfs/dbraw/zinc/02/61/77/368026177.db2.gz VPMNQDSCTDUZFE-CYBMUJFWSA-N 1 0 229.367 3.792 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000386829531 368025212 /nfs/dbraw/zinc/02/52/12/368025212.db2.gz VPMNQDSCTDUZFE-ZDUSSCGKSA-N 1 0 229.367 3.792 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1sccc1C ZINC000386829956 368025291 /nfs/dbraw/zinc/02/52/91/368025291.db2.gz HQFKSUYIMPBXOS-LLVKDONJSA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1sccc1C ZINC000386829982 368025391 /nfs/dbraw/zinc/02/53/91/368025391.db2.gz HQFKSUYIMPBXOS-NSHDSACASA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(C)CC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000386838532 368027085 /nfs/dbraw/zinc/02/70/85/368027085.db2.gz XDIBULUYBLSRNO-INIZCTEOSA-N 1 0 245.366 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000386838533 368027692 /nfs/dbraw/zinc/02/76/92/368027692.db2.gz XDIBULUYBLSRNO-MRXNPFEDSA-N 1 0 245.366 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000386839433 368027603 /nfs/dbraw/zinc/02/76/03/368027603.db2.gz XJJKZQRSLILUFP-HNNXBMFYSA-N 1 0 233.330 3.833 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000386839436 368027217 /nfs/dbraw/zinc/02/72/17/368027217.db2.gz XJJKZQRSLILUFP-OAHLLOKOSA-N 1 0 233.330 3.833 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000386840237 368027119 /nfs/dbraw/zinc/02/71/19/368027119.db2.gz XNUWGYPXWGSDQX-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000386847817 368027153 /nfs/dbraw/zinc/02/71/53/368027153.db2.gz YVPQVRSQIOMCFG-INIZCTEOSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000386847819 368027489 /nfs/dbraw/zinc/02/74/89/368027489.db2.gz YVPQVRSQIOMCFG-MRXNPFEDSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000386857592 368028766 /nfs/dbraw/zinc/02/87/66/368028766.db2.gz JAWKCHGSUOHWHZ-CYBMUJFWSA-N 1 0 207.361 3.655 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000386857593 368028390 /nfs/dbraw/zinc/02/83/90/368028390.db2.gz JAWKCHGSUOHWHZ-ZDUSSCGKSA-N 1 0 207.361 3.655 20 30 BHEDRO CC(C)(C#N)CCCC[NH2+][C@H]1CC2CCC1CC2 ZINC000386886350 368031717 /nfs/dbraw/zinc/03/17/17/368031717.db2.gz XHDSFLIMGMELOX-NRXISQOPSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000386886381 368030760 /nfs/dbraw/zinc/03/07/60/368030760.db2.gz XHDSFLIMGMELOX-YMAMQOFZSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000386897076 368032270 /nfs/dbraw/zinc/03/22/70/368032270.db2.gz YKNLXBOKQRRKCY-CYBMUJFWSA-N 1 0 249.373 3.949 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000386897077 368032644 /nfs/dbraw/zinc/03/26/44/368032644.db2.gz YKNLXBOKQRRKCY-ZDUSSCGKSA-N 1 0 249.373 3.949 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000386901006 368032872 /nfs/dbraw/zinc/03/28/72/368032872.db2.gz OTCSFZYVCYAUPQ-KBPBESRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000386901007 368032523 /nfs/dbraw/zinc/03/25/23/368032523.db2.gz OTCSFZYVCYAUPQ-KGLIPLIRSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000386901008 368032836 /nfs/dbraw/zinc/03/28/36/368032836.db2.gz OTCSFZYVCYAUPQ-UONOGXRCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000386901009 368032950 /nfs/dbraw/zinc/03/29/50/368032950.db2.gz OTCSFZYVCYAUPQ-ZIAGYGMSSA-N 1 0 207.361 3.511 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC12CCCCC2 ZINC000386906797 363060282 /nfs/dbraw/zinc/06/02/82/363060282.db2.gz CCVHPKWCKYLYKP-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC12CCCCC2 ZINC000386906806 363060002 /nfs/dbraw/zinc/06/00/02/363060002.db2.gz CCVHPKWCKYLYKP-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(C#N)cc1 ZINC000386913702 363060986 /nfs/dbraw/zinc/06/09/86/363060986.db2.gz NXHVKFRTDZDDAY-DOMZBBRYSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(C#N)cc1 ZINC000386913706 363061592 /nfs/dbraw/zinc/06/15/92/363061592.db2.gz NXHVKFRTDZDDAY-IUODEOHRSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(C#N)cc1 ZINC000386913707 363061266 /nfs/dbraw/zinc/06/12/66/363061266.db2.gz NXHVKFRTDZDDAY-SWLSCSKDSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(C#N)cc1 ZINC000386913709 363061613 /nfs/dbraw/zinc/06/16/13/363061613.db2.gz NXHVKFRTDZDDAY-WFASDCNBSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccc(C#N)c1 ZINC000386927123 363062190 /nfs/dbraw/zinc/06/21/90/363062190.db2.gz QPJSPBSRSHSWEY-DOMZBBRYSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(C#N)c1 ZINC000386927125 363062502 /nfs/dbraw/zinc/06/25/02/363062502.db2.gz QPJSPBSRSHSWEY-IUODEOHRSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(C#N)c1 ZINC000386927127 363062052 /nfs/dbraw/zinc/06/20/52/363062052.db2.gz QPJSPBSRSHSWEY-SWLSCSKDSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1cccc(C#N)c1 ZINC000386927130 363062085 /nfs/dbraw/zinc/06/20/85/363062085.db2.gz QPJSPBSRSHSWEY-WFASDCNBSA-N 1 0 240.350 3.542 20 30 BHEDRO C=C(C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000386945731 368037937 /nfs/dbraw/zinc/03/79/37/368037937.db2.gz WNKQNJUDCXBCOJ-UHFFFAOYSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1csc(C)c1 ZINC000386953192 368038338 /nfs/dbraw/zinc/03/83/38/368038338.db2.gz XVZQTJZUSIECCG-LLVKDONJSA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1csc(C)c1 ZINC000386953193 368038356 /nfs/dbraw/zinc/03/83/56/368038356.db2.gz XVZQTJZUSIECCG-NSHDSACASA-N 1 0 209.358 3.673 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(CC)s1 ZINC000387308863 368149859 /nfs/dbraw/zinc/14/98/59/368149859.db2.gz BICSZXDDDXTTJN-LLVKDONJSA-N 1 0 223.385 3.927 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000387308864 368149691 /nfs/dbraw/zinc/14/96/91/368149691.db2.gz BICSZXDDDXTTJN-NSHDSACASA-N 1 0 223.385 3.927 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000387337660 368157057 /nfs/dbraw/zinc/15/70/57/368157057.db2.gz DVZREVZFFWILAU-JTQLQIEISA-N 1 0 223.282 3.663 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000387337661 368158093 /nfs/dbraw/zinc/15/80/93/368158093.db2.gz DVZREVZFFWILAU-SNVBAGLBSA-N 1 0 223.282 3.663 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cccc(Cl)c1F ZINC000387412930 357923526 /nfs/dbraw/zinc/92/35/26/357923526.db2.gz MKGPKNJMPIXJIK-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=C(C)CC[NH2+]Cc1c(F)cccc1Cl ZINC000387456953 368204966 /nfs/dbraw/zinc/20/49/66/368204966.db2.gz RJKFSLYRJLNETO-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cc(Cl)ccc1F ZINC000387476242 368226236 /nfs/dbraw/zinc/22/62/36/368226236.db2.gz UNBDUOBVKGNUMA-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(F)cc1Cl ZINC000387504644 343091519 /nfs/dbraw/zinc/09/15/19/343091519.db2.gz YAFZHTKOHYSNPJ-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000387507691 343097477 /nfs/dbraw/zinc/09/74/77/343097477.db2.gz YJPKZAXIWUHVRC-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCCC1 ZINC000387536233 368952903 /nfs/dbraw/zinc/95/29/03/368952903.db2.gz LFXBEGUPAZEKHZ-INIZCTEOSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCCC1 ZINC000387536234 344709833 /nfs/dbraw/zinc/70/98/33/344709833.db2.gz LFXBEGUPAZEKHZ-MRXNPFEDSA-N 1 0 242.366 3.617 20 30 BHEDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000388432150 371070763 /nfs/dbraw/zinc/07/07/63/371070763.db2.gz FVDLPZICGVQNCU-LLVKDONJSA-N 1 0 248.395 3.536 20 30 BHEDRO CC1(C)CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000388432157 371070779 /nfs/dbraw/zinc/07/07/79/371070779.db2.gz FVDLPZICGVQNCU-NSHDSACASA-N 1 0 248.395 3.536 20 30 BHEDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000388487450 344514614 /nfs/dbraw/zinc/51/46/14/344514614.db2.gz PWMSOMONZZEKEH-GFCCVEGCSA-N 1 0 248.395 3.536 20 30 BHEDRO CC1(C)CCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000388487452 344514439 /nfs/dbraw/zinc/51/44/39/344514439.db2.gz PWMSOMONZZEKEH-LBPRGKRZSA-N 1 0 248.395 3.536 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000388522854 711062337 /nfs/dbraw/zinc/06/23/37/711062337.db2.gz XQSSSCGYXHCOSJ-CABCVRRESA-N 1 0 241.419 3.752 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCC[C@H]1CC)c1ccccc1 ZINC000388586379 539014915 /nfs/dbraw/zinc/01/49/15/539014915.db2.gz IJIUJGHLDFBFEM-GDBMZVCRSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCC[C@@H]1CC)c1ccccc1 ZINC000388586382 539015297 /nfs/dbraw/zinc/01/52/97/539015297.db2.gz IJIUJGHLDFBFEM-GOEBONIOSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@H]1CCC[C@@H]1CC)c1ccccc1 ZINC000388586384 539015071 /nfs/dbraw/zinc/01/50/71/539015071.db2.gz IJIUJGHLDFBFEM-HOCLYGCPSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@H]1CCC[C@H]1CC)c1ccccc1 ZINC000388586386 539015006 /nfs/dbraw/zinc/01/50/06/539015006.db2.gz IJIUJGHLDFBFEM-ZBFHGGJFSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000388723385 711067169 /nfs/dbraw/zinc/06/71/69/711067169.db2.gz WQRFAAFUAAGZCJ-GFCCVEGCSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000388723386 711066064 /nfs/dbraw/zinc/06/60/64/711066064.db2.gz WQRFAAFUAAGZCJ-LBPRGKRZSA-N 1 0 215.768 3.543 20 30 BHEDRO C=C(Br)C[N@@H+](C(C)C)C1CCCC1 ZINC000388770382 711068146 /nfs/dbraw/zinc/06/81/46/711068146.db2.gz GMRSQYVXBWCHPS-UHFFFAOYSA-N 1 0 246.192 3.548 20 30 BHEDRO CC[C@H]1CCC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000388903508 355328756 /nfs/dbraw/zinc/32/87/56/355328756.db2.gz NTLQVSAXCWAWAD-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000388903509 355328468 /nfs/dbraw/zinc/32/84/68/355328468.db2.gz NTLQVSAXCWAWAD-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]1CCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000388903511 355328769 /nfs/dbraw/zinc/32/87/69/355328769.db2.gz NTLQVSAXCWAWAD-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000388903513 355328621 /nfs/dbraw/zinc/32/86/21/355328621.db2.gz NTLQVSAXCWAWAD-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1sccc1C ZINC000388907848 355334398 /nfs/dbraw/zinc/33/43/98/355334398.db2.gz OTKQJDZSAJAMFN-LLVKDONJSA-N 1 0 209.358 3.673 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1sccc1C ZINC000388907862 355334287 /nfs/dbraw/zinc/33/42/87/355334287.db2.gz OTKQJDZSAJAMFN-NSHDSACASA-N 1 0 209.358 3.673 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000388922736 364679874 /nfs/dbraw/zinc/67/98/74/364679874.db2.gz SBQDHPNIKMBNHL-BJJXKVORSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000388922742 364679778 /nfs/dbraw/zinc/67/97/78/364679778.db2.gz SBQDHPNIKMBNHL-JGGQBBKZSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000388922744 364679961 /nfs/dbraw/zinc/67/99/61/364679961.db2.gz SBQDHPNIKMBNHL-XNRPHZJLSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000388922745 364678434 /nfs/dbraw/zinc/67/84/34/364678434.db2.gz SBQDHPNIKMBNHL-XPKDYRNWSA-N 1 0 242.366 3.788 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(SC)s1 ZINC000389000342 355394755 /nfs/dbraw/zinc/39/47/55/355394755.db2.gz YJNCVZMLNJVPQA-UHFFFAOYSA-N 1 0 227.398 3.526 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccsc1Cl ZINC000389199003 355846283 /nfs/dbraw/zinc/84/62/83/355846283.db2.gz CGUDLJZPOAULQP-UHFFFAOYSA-N 1 0 229.776 3.847 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(Cl)s1 ZINC000389207728 355857929 /nfs/dbraw/zinc/85/79/29/355857929.db2.gz HGCIGFVNNKJFQL-UHFFFAOYSA-N 1 0 229.776 3.847 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(Cl)s1 ZINC000389228734 355932884 /nfs/dbraw/zinc/93/28/84/355932884.db2.gz RZYHDELEYUSFGM-SECBINFHSA-N 1 0 229.776 3.846 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(Cl)s1 ZINC000389228736 355932876 /nfs/dbraw/zinc/93/28/76/355932876.db2.gz RZYHDELEYUSFGM-VIFPVBQESA-N 1 0 229.776 3.846 20 30 BHEDRO C=CCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000389347307 355979404 /nfs/dbraw/zinc/97/94/04/355979404.db2.gz VPMYBYRIOGXGKE-CYBMUJFWSA-N 1 0 221.369 3.755 20 30 BHEDRO C=CCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000389347308 355979342 /nfs/dbraw/zinc/97/93/42/355979342.db2.gz VPMYBYRIOGXGKE-ZDUSSCGKSA-N 1 0 221.369 3.755 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cccs1 ZINC000389356656 355980985 /nfs/dbraw/zinc/98/09/85/355980985.db2.gz QPNUKXBZDFFZNJ-LLVKDONJSA-N 1 0 209.358 3.755 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cccs1 ZINC000389356668 355981096 /nfs/dbraw/zinc/98/10/96/355981096.db2.gz QPNUKXBZDFFZNJ-NSHDSACASA-N 1 0 209.358 3.755 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000389373125 355989263 /nfs/dbraw/zinc/98/92/63/355989263.db2.gz NCRMPJLGPXEATB-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCCSC1 ZINC000389382083 711078333 /nfs/dbraw/zinc/07/83/33/711078333.db2.gz QNVGBDLVJIUACE-CYBMUJFWSA-N 1 0 227.417 3.608 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CCCSC1 ZINC000389382085 711078799 /nfs/dbraw/zinc/07/87/99/711078799.db2.gz QNVGBDLVJIUACE-ZDUSSCGKSA-N 1 0 227.417 3.608 20 30 BHEDRO C(#Cc1ccccc1)C[NH2+]CC1CCCCCC1 ZINC000389499080 711079709 /nfs/dbraw/zinc/07/97/09/711079709.db2.gz VKOFHWVWNXXKPA-UHFFFAOYSA-N 1 0 241.378 3.598 20 30 BHEDRO N#Cc1csc(C[NH2+]CC2CCCCCC2)c1 ZINC000389585438 355215969 /nfs/dbraw/zinc/21/59/69/355215969.db2.gz GCDKLMJTSMBTPU-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000389593547 356997595 /nfs/dbraw/zinc/99/75/95/356997595.db2.gz NSRNKKIYRJNZJE-SSDOTTSWSA-N 1 0 248.128 3.797 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000389593548 356997524 /nfs/dbraw/zinc/99/75/24/356997524.db2.gz NSRNKKIYRJNZJE-ZETCQYMHSA-N 1 0 248.128 3.797 20 30 BHEDRO C=CCCCC[NH2+]Cc1cccc(Cl)c1 ZINC000389605312 357001759 /nfs/dbraw/zinc/00/17/59/357001759.db2.gz XSYBIJOJOLGAGC-UHFFFAOYSA-N 1 0 223.747 3.786 20 30 BHEDRO C=C(C)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000389608385 357002100 /nfs/dbraw/zinc/00/21/00/357002100.db2.gz ZOXFKXHWIDUZFN-CYBMUJFWSA-N 1 0 207.361 3.655 20 30 BHEDRO C=C(C)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000389608386 357002081 /nfs/dbraw/zinc/00/20/81/357002081.db2.gz ZOXFKXHWIDUZFN-ZDUSSCGKSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000389659437 357011507 /nfs/dbraw/zinc/01/15/07/357011507.db2.gz BQSWSMCWRGUMPJ-UHFFFAOYSA-N 1 0 223.747 3.786 20 30 BHEDRO N#Cc1ccc(C[NH2+]CC2CCCCCC2)s1 ZINC000389686103 357014704 /nfs/dbraw/zinc/01/47/04/357014704.db2.gz ZUFQVRBGBSVPLI-UHFFFAOYSA-N 1 0 248.395 3.680 20 30 BHEDRO CCC1([NH2+]Cc2ccc(C#N)s2)CCCCC1 ZINC000389690094 356862550 /nfs/dbraw/zinc/86/25/50/356862550.db2.gz AZIACWVXXZLPTN-UHFFFAOYSA-N 1 0 248.395 3.822 20 30 BHEDRO CCC1([NH2+]Cc2cc(C#N)cs2)CCCCC1 ZINC000389764171 357027349 /nfs/dbraw/zinc/02/73/49/357027349.db2.gz QKPGREBFKSQAKT-UHFFFAOYSA-N 1 0 248.395 3.822 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000389839752 357052880 /nfs/dbraw/zinc/05/28/80/357052880.db2.gz IAMYEXFZCVSACE-HSBZDZAISA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000389839755 357052587 /nfs/dbraw/zinc/05/25/87/357052587.db2.gz IAMYEXFZCVSACE-IYXRBSQSSA-N 1 0 209.377 3.755 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(Cl)o1 ZINC000389849214 539017858 /nfs/dbraw/zinc/01/78/58/539017858.db2.gz SHOGWTUBZROMHZ-JTQLQIEISA-N 1 0 227.735 3.767 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(Cl)o1 ZINC000389849215 636429314 /nfs/dbraw/zinc/42/93/14/636429314.db2.gz SHOGWTUBZROMHZ-SNVBAGLBSA-N 1 0 227.735 3.767 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000389857188 357056013 /nfs/dbraw/zinc/05/60/13/357056013.db2.gz BMGYOGBGIQGMSP-AGIUHOORSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H](F)C1 ZINC000389857189 357056066 /nfs/dbraw/zinc/05/60/66/357056066.db2.gz BMGYOGBGIQGMSP-AVGNSLFASA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000389857190 357055823 /nfs/dbraw/zinc/05/58/23/357055823.db2.gz BMGYOGBGIQGMSP-FRRDWIJNSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000389857191 357055835 /nfs/dbraw/zinc/05/58/35/357055835.db2.gz BMGYOGBGIQGMSP-RWMBFGLXSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000389871018 357057748 /nfs/dbraw/zinc/05/77/48/357057748.db2.gz JMEQZJOUZZUVLL-NXEZZACHSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCC(F)(F)F ZINC000389871019 357057587 /nfs/dbraw/zinc/05/75/87/357057587.db2.gz JMEQZJOUZZUVLL-UWVGGRQHSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000389871020 357057547 /nfs/dbraw/zinc/05/75/47/357057547.db2.gz JMEQZJOUZZUVLL-VHSXEESVSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCC(F)(F)F ZINC000389871021 357057406 /nfs/dbraw/zinc/05/74/06/357057406.db2.gz JMEQZJOUZZUVLL-ZJUUUORDSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000389878282 357058442 /nfs/dbraw/zinc/05/84/42/357058442.db2.gz MVQCYFRNIXGJJD-CRWXNKLISA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@H]1C ZINC000389878283 357058180 /nfs/dbraw/zinc/05/81/80/357058180.db2.gz MVQCYFRNIXGJJD-RFQIPJPRSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000389878284 357058322 /nfs/dbraw/zinc/05/83/22/357058322.db2.gz MVQCYFRNIXGJJD-XDQVBPFNSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000389878285 357058330 /nfs/dbraw/zinc/05/83/30/357058330.db2.gz MVQCYFRNIXGJJD-XUXIUFHCSA-N 1 0 209.377 3.613 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)CSC(C)(C)C ZINC000389881140 711095363 /nfs/dbraw/zinc/09/53/63/711095363.db2.gz OIWFVAISIDRVKQ-GFCCVEGCSA-N 1 0 229.433 3.853 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000389881141 711095156 /nfs/dbraw/zinc/09/51/56/711095156.db2.gz OIWFVAISIDRVKQ-LBPRGKRZSA-N 1 0 229.433 3.853 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000389883293 711095189 /nfs/dbraw/zinc/09/51/89/711095189.db2.gz PRTJTBONNHCZGB-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000389883294 711095028 /nfs/dbraw/zinc/09/50/28/711095028.db2.gz PRTJTBONNHCZGB-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000389883295 711094954 /nfs/dbraw/zinc/09/49/54/711094954.db2.gz PRTJTBONNHCZGB-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCSC1 ZINC000389883296 712690994 /nfs/dbraw/zinc/69/09/94/712690994.db2.gz PRTJTBONNHCZGB-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000389886635 357058930 /nfs/dbraw/zinc/05/89/30/357058930.db2.gz SAHBNCBYFQCQEG-AVGNSLFASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000389886636 357058585 /nfs/dbraw/zinc/05/85/85/357058585.db2.gz SAHBNCBYFQCQEG-RWMBFGLXSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000389886637 357058947 /nfs/dbraw/zinc/05/89/47/357058947.db2.gz SAHBNCBYFQCQEG-XQQFMLRXSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000389886638 357058623 /nfs/dbraw/zinc/05/86/23/357058623.db2.gz SAHBNCBYFQCQEG-YNEHKIRRSA-N 1 0 207.361 3.509 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000389887099 711095367 /nfs/dbraw/zinc/09/53/67/711095367.db2.gz SGKMIXWAQYJTMS-SECBINFHSA-N 1 0 237.721 3.543 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000389887100 711094633 /nfs/dbraw/zinc/09/46/33/711094633.db2.gz SGKMIXWAQYJTMS-VIFPVBQESA-N 1 0 237.721 3.543 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](CC)CC(F)(F)F ZINC000389891130 357060306 /nfs/dbraw/zinc/06/03/06/357060306.db2.gz WAGLOEUUQODUFD-NXEZZACHSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)CC(F)(F)F ZINC000389891131 357060203 /nfs/dbraw/zinc/06/02/03/357060203.db2.gz WAGLOEUUQODUFD-UWVGGRQHSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](CC)CC(F)(F)F ZINC000389891132 357060380 /nfs/dbraw/zinc/06/03/80/357060380.db2.gz WAGLOEUUQODUFD-VHSXEESVSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC)CC(F)(F)F ZINC000389891133 357060332 /nfs/dbraw/zinc/06/03/32/357060332.db2.gz WAGLOEUUQODUFD-ZJUUUORDSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H]1CCSC1 ZINC000389895414 711096351 /nfs/dbraw/zinc/09/63/51/711096351.db2.gz YPADJTRTICTPMZ-CYBMUJFWSA-N 1 0 227.417 3.608 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H]1CCSC1 ZINC000389895415 711096441 /nfs/dbraw/zinc/09/64/41/711096441.db2.gz YPADJTRTICTPMZ-ZDUSSCGKSA-N 1 0 227.417 3.608 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CSC1(C)C ZINC000389903556 357064966 /nfs/dbraw/zinc/06/49/66/357064966.db2.gz DXXJPGPNLUFHKQ-NEPJUHHUSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CSC1(C)C ZINC000389903557 357065141 /nfs/dbraw/zinc/06/51/41/357065141.db2.gz DXXJPGPNLUFHKQ-NWDGAFQWSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CSC1(C)C ZINC000389903560 357064826 /nfs/dbraw/zinc/06/48/26/357064826.db2.gz DXXJPGPNLUFHKQ-RYUDHWBXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CSC1(C)C ZINC000389903561 357064791 /nfs/dbraw/zinc/06/47/91/357064791.db2.gz DXXJPGPNLUFHKQ-VXGBXAGGSA-N 1 0 227.417 3.605 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1sccc1Cl)C(C)(C)C ZINC000389915973 711096965 /nfs/dbraw/zinc/09/69/65/711096965.db2.gz NAIJGZBQLHUYRO-LLVKDONJSA-N 1 0 241.787 3.539 20 30 BHEDRO C#C[C@H]([NH2+]Cc1sccc1Cl)C(C)(C)C ZINC000389915981 711096975 /nfs/dbraw/zinc/09/69/75/711096975.db2.gz NAIJGZBQLHUYRO-NSHDSACASA-N 1 0 241.787 3.539 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000389923322 357068429 /nfs/dbraw/zinc/06/84/29/357068429.db2.gz UAEHONZNLLHQDJ-AEJSXWLSSA-N 1 0 223.282 3.518 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000389923324 357068724 /nfs/dbraw/zinc/06/87/24/357068724.db2.gz UAEHONZNLLHQDJ-GUBZILKMSA-N 1 0 223.282 3.518 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000389923325 357068753 /nfs/dbraw/zinc/06/87/53/357068753.db2.gz UAEHONZNLLHQDJ-IVZWLZJFSA-N 1 0 223.282 3.518 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000389923326 357068509 /nfs/dbraw/zinc/06/85/09/357068509.db2.gz UAEHONZNLLHQDJ-LPEHRKFASA-N 1 0 223.282 3.518 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CCCC)C1CCC1 ZINC000389929234 357070416 /nfs/dbraw/zinc/07/04/16/357070416.db2.gz YTYCKJPDGHRUFX-AWEZNQCLSA-N 1 0 209.377 3.901 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CCCC)C1CCC1 ZINC000389929235 357070386 /nfs/dbraw/zinc/07/03/86/357070386.db2.gz YTYCKJPDGHRUFX-CQSZACIVSA-N 1 0 209.377 3.901 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)CC(F)(F)F ZINC000389949656 357072331 /nfs/dbraw/zinc/07/23/31/357072331.db2.gz RTHORWFUSLBOQB-NXEZZACHSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)CC(F)(F)F ZINC000389949666 357072431 /nfs/dbraw/zinc/07/24/31/357072431.db2.gz RTHORWFUSLBOQB-UWVGGRQHSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)CC(F)(F)F ZINC000389949671 357072322 /nfs/dbraw/zinc/07/23/22/357072322.db2.gz RTHORWFUSLBOQB-VHSXEESVSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)CC(F)(F)F ZINC000389949673 357072524 /nfs/dbraw/zinc/07/25/24/357072524.db2.gz RTHORWFUSLBOQB-ZJUUUORDSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000389965114 357075233 /nfs/dbraw/zinc/07/52/33/357075233.db2.gz XEUDVHPQXIROOI-HZSPNIEDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000389965116 357075289 /nfs/dbraw/zinc/07/52/89/357075289.db2.gz XEUDVHPQXIROOI-IHRRRGAJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000389965117 357075376 /nfs/dbraw/zinc/07/53/76/357075376.db2.gz XEUDVHPQXIROOI-MELADBBJSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000389965119 357075210 /nfs/dbraw/zinc/07/52/10/357075210.db2.gz XEUDVHPQXIROOI-RDBSUJKOSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000389968852 539019501 /nfs/dbraw/zinc/01/95/01/539019501.db2.gz YTTTYBBGYCAHCT-NXEZZACHSA-N 1 0 227.735 3.623 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000389968857 539019525 /nfs/dbraw/zinc/01/95/25/539019525.db2.gz YTTTYBBGYCAHCT-UWVGGRQHSA-N 1 0 227.735 3.623 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000389968859 539019276 /nfs/dbraw/zinc/01/92/76/539019276.db2.gz YTTTYBBGYCAHCT-VHSXEESVSA-N 1 0 227.735 3.623 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000389968860 539019127 /nfs/dbraw/zinc/01/91/27/539019127.db2.gz YTTTYBBGYCAHCT-ZJUUUORDSA-N 1 0 227.735 3.623 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CSC(C)(C)C ZINC000389977202 711102324 /nfs/dbraw/zinc/10/23/24/711102324.db2.gz GKHBVHRTJFQFHJ-NEPJUHHUSA-N 1 0 229.433 3.851 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CSC(C)(C)C ZINC000389977203 712693251 /nfs/dbraw/zinc/69/32/51/712693251.db2.gz GKHBVHRTJFQFHJ-NWDGAFQWSA-N 1 0 229.433 3.851 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CSC(C)(C)C ZINC000389977204 712693281 /nfs/dbraw/zinc/69/32/81/712693281.db2.gz GKHBVHRTJFQFHJ-RYUDHWBXSA-N 1 0 229.433 3.851 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CSC(C)(C)C ZINC000389977205 712693309 /nfs/dbraw/zinc/69/33/09/712693309.db2.gz GKHBVHRTJFQFHJ-VXGBXAGGSA-N 1 0 229.433 3.851 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000389980549 357078659 /nfs/dbraw/zinc/07/86/59/357078659.db2.gz IMUJBXCTOZKJOB-UHFFFAOYSA-N 1 0 248.128 3.798 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000389980753 357078454 /nfs/dbraw/zinc/07/84/54/357078454.db2.gz IRBQXGQJRBIVOX-CYBMUJFWSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCC12CCCC2 ZINC000389980754 357078277 /nfs/dbraw/zinc/07/82/77/357078277.db2.gz IRBQXGQJRBIVOX-ZDUSSCGKSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000389991494 357081695 /nfs/dbraw/zinc/08/16/95/357081695.db2.gz ONQARPJVZJPSBD-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCC(C)(C)C1 ZINC000389991496 357081359 /nfs/dbraw/zinc/08/13/59/357081359.db2.gz ONQARPJVZJPSBD-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000389991497 357081527 /nfs/dbraw/zinc/08/15/27/357081527.db2.gz ONQARPJVZJPSBD-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCC(C)(C)C1 ZINC000389991499 357081594 /nfs/dbraw/zinc/08/15/94/357081594.db2.gz ONQARPJVZJPSBD-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000389994069 711103034 /nfs/dbraw/zinc/10/30/34/711103034.db2.gz PQJVGIYRMGPJKR-KBPBESRZSA-N 1 0 209.377 3.735 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000389994072 711102650 /nfs/dbraw/zinc/10/26/50/711102650.db2.gz PQJVGIYRMGPJKR-KGLIPLIRSA-N 1 0 209.377 3.735 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000389994074 711103095 /nfs/dbraw/zinc/10/30/95/711103095.db2.gz PQJVGIYRMGPJKR-UONOGXRCSA-N 1 0 209.377 3.735 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000389994075 711103773 /nfs/dbraw/zinc/10/37/73/711103773.db2.gz PQJVGIYRMGPJKR-ZIAGYGMSSA-N 1 0 209.377 3.735 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)C1CCCCC1 ZINC000390008195 384795583 /nfs/dbraw/zinc/79/55/83/384795583.db2.gz XVIDVDZMLAFSRX-GXTWGEPZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000390008196 384797005 /nfs/dbraw/zinc/79/70/05/384797005.db2.gz XVIDVDZMLAFSRX-JSGCOSHPSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000390008197 384797349 /nfs/dbraw/zinc/79/73/49/384797349.db2.gz XVIDVDZMLAFSRX-OCCSQVGLSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)C1CCCCC1 ZINC000390008198 384797653 /nfs/dbraw/zinc/79/76/53/384797653.db2.gz XVIDVDZMLAFSRX-TZMCWYRMSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)COCc1ccccc1 ZINC000390045902 259379544 /nfs/dbraw/zinc/37/95/44/259379544.db2.gz BRHPKTUNAYKHLI-UHFFFAOYSA-N 1 0 247.382 3.538 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)COCc1ccccc1 ZINC000390047173 259379802 /nfs/dbraw/zinc/37/98/02/259379802.db2.gz DACRHOYSSUNXNG-UHFFFAOYSA-N 1 0 247.382 3.538 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)COCc1ccccc1 ZINC000390057505 397878917 /nfs/dbraw/zinc/87/89/17/397878917.db2.gz PJTDYQQUTVQFJN-UHFFFAOYSA-N 1 0 247.382 3.538 20 30 BHEDRO C=CCCCCC[NH2+]C1CCC(F)(F)CC1 ZINC000390077535 488133345 /nfs/dbraw/zinc/13/33/45/488133345.db2.gz XPZGZIMIZHNOBW-UHFFFAOYSA-N 1 0 231.330 3.900 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1cc[nH]c1 ZINC000390103712 711105867 /nfs/dbraw/zinc/10/58/67/711105867.db2.gz BCBMSEJUERIYGX-UHFFFAOYSA-N 1 0 220.360 3.631 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1c(C)cccc1F ZINC000390121592 711106577 /nfs/dbraw/zinc/10/65/77/711106577.db2.gz FZBJWYISWBJRIZ-GFCCVEGCSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1c(C)cccc1F ZINC000390121593 711106380 /nfs/dbraw/zinc/10/63/80/711106380.db2.gz FZBJWYISWBJRIZ-LBPRGKRZSA-N 1 0 221.319 3.578 20 30 BHEDRO C=CCCC[NH2+]C1(c2ccccc2)CCC1 ZINC000390128537 259380680 /nfs/dbraw/zinc/38/06/80/259380680.db2.gz ITSGXNXBKLGVEM-UHFFFAOYSA-N 1 0 215.340 3.622 20 30 BHEDRO C=CCC[C@@H]([NH2+]C1CCCC1)c1ccco1 ZINC000390131542 347255478 /nfs/dbraw/zinc/25/54/78/347255478.db2.gz KCTJSJLJMBPXEY-CYBMUJFWSA-N 1 0 219.328 3.819 20 30 BHEDRO C=CCC[C@H]([NH2+]C1CCCC1)c1ccco1 ZINC000390131543 347255488 /nfs/dbraw/zinc/25/54/88/347255488.db2.gz KCTJSJLJMBPXEY-ZDUSSCGKSA-N 1 0 219.328 3.819 20 30 BHEDRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000390209991 259382492 /nfs/dbraw/zinc/38/24/92/259382492.db2.gz UUDAHELKJJZSSZ-UHFFFAOYSA-N 1 0 236.384 3.534 20 30 BHEDRO C=CC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000390210478 259382585 /nfs/dbraw/zinc/38/25/85/259382585.db2.gz UYAVCGIZCNQILE-UHFFFAOYSA-N 1 0 215.340 3.620 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000390232260 259383249 /nfs/dbraw/zinc/38/32/49/259383249.db2.gz DOSOJLBIMRHCEH-AEGPPILISA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000390232261 259383064 /nfs/dbraw/zinc/38/30/64/259383064.db2.gz DOSOJLBIMRHCEH-CFVMTHIKSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000390232262 259382926 /nfs/dbraw/zinc/38/29/26/259382926.db2.gz DOSOJLBIMRHCEH-NWANDNLSSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000390232264 259382965 /nfs/dbraw/zinc/38/29/65/259382965.db2.gz DOSOJLBIMRHCEH-QEJZJMRPSA-N 1 0 221.388 3.900 20 30 BHEDRO C=C(C)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000390266061 259383917 /nfs/dbraw/zinc/38/39/17/259383917.db2.gz PWFAJHFRVZQFKO-UHFFFAOYSA-N 1 0 215.340 3.622 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000390278960 259384816 /nfs/dbraw/zinc/38/48/16/259384816.db2.gz UQQKWAFPXWIVAT-UHFFFAOYSA-N 1 0 221.319 3.617 20 30 BHEDRO C=CCC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000390322857 259385938 /nfs/dbraw/zinc/38/59/38/259385938.db2.gz ITQDCHNDWOUJJM-UHFFFAOYSA-N 1 0 241.737 3.880 20 30 BHEDRO C=C(C)CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000390371828 259387216 /nfs/dbraw/zinc/38/72/16/259387216.db2.gz WBMKFOJQWFOAHR-UHFFFAOYSA-N 1 0 235.758 3.885 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000390373304 262740240 /nfs/dbraw/zinc/74/02/40/262740240.db2.gz WPOKLTXLYYTJNE-AWEZNQCLSA-N 1 0 221.319 3.689 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000390373305 385258202 /nfs/dbraw/zinc/25/82/02/385258202.db2.gz WPOKLTXLYYTJNE-CQSZACIVSA-N 1 0 221.319 3.689 20 30 BHEDRO C=CCCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000390411585 259387689 /nfs/dbraw/zinc/38/76/89/259387689.db2.gz FDTZDGABWHNWJO-AWEZNQCLSA-N 1 0 217.356 3.736 20 30 BHEDRO C=CCCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000390411587 259387742 /nfs/dbraw/zinc/38/77/42/259387742.db2.gz FDTZDGABWHNWJO-CQSZACIVSA-N 1 0 217.356 3.736 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000390415225 539021338 /nfs/dbraw/zinc/02/13/38/539021338.db2.gz GWFRNPFDVKYOHJ-HZMBPMFUSA-N 1 0 235.758 3.882 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000390415226 539021712 /nfs/dbraw/zinc/02/17/12/539021712.db2.gz GWFRNPFDVKYOHJ-IINYFYTJSA-N 1 0 235.758 3.882 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000390415227 539021646 /nfs/dbraw/zinc/02/16/46/539021646.db2.gz GWFRNPFDVKYOHJ-QMTHXVAHSA-N 1 0 235.758 3.882 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000390415228 539021551 /nfs/dbraw/zinc/02/15/51/539021551.db2.gz GWFRNPFDVKYOHJ-YGRLFVJLSA-N 1 0 235.758 3.882 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000390437953 259388866 /nfs/dbraw/zinc/38/88/66/259388866.db2.gz TZBNKJVNTVTBOW-HNNXBMFYSA-N 1 0 217.356 3.748 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000390437955 259388504 /nfs/dbraw/zinc/38/85/04/259388504.db2.gz TZBNKJVNTVTBOW-OAHLLOKOSA-N 1 0 217.356 3.748 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000390441484 711117997 /nfs/dbraw/zinc/11/79/97/711117997.db2.gz VSSRXORGCUVAFQ-KBPBESRZSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000390441485 711117454 /nfs/dbraw/zinc/11/74/54/711117454.db2.gz VSSRXORGCUVAFQ-KGLIPLIRSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000390441486 711117272 /nfs/dbraw/zinc/11/72/72/711117272.db2.gz VSSRXORGCUVAFQ-UONOGXRCSA-N 1 0 221.388 3.594 20 30 BHEDRO C#CCCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000390441487 711117232 /nfs/dbraw/zinc/11/72/32/711117232.db2.gz VSSRXORGCUVAFQ-ZIAGYGMSSA-N 1 0 221.388 3.594 20 30 BHEDRO C=C(C)C[NH2+]C[C@H](CCC)c1ccccc1 ZINC000390443917 259388872 /nfs/dbraw/zinc/38/88/72/259388872.db2.gz WSIHJMONGQGOKJ-HNNXBMFYSA-N 1 0 217.356 3.736 20 30 BHEDRO C=C(C)C[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000390443918 259388443 /nfs/dbraw/zinc/38/84/43/259388443.db2.gz WSIHJMONGQGOKJ-OAHLLOKOSA-N 1 0 217.356 3.736 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000390452127 259389146 /nfs/dbraw/zinc/38/91/46/259389146.db2.gz BOTBLRVYHAMRLH-CYBMUJFWSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000390452130 259389418 /nfs/dbraw/zinc/38/94/18/259389418.db2.gz BOTBLRVYHAMRLH-ZDUSSCGKSA-N 1 0 241.737 3.923 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1occc1C ZINC000390454013 259389765 /nfs/dbraw/zinc/38/97/65/259389765.db2.gz BPBBIPPEVHSGSZ-CYBMUJFWSA-N 1 0 221.344 3.813 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1occc1C ZINC000390454014 259389922 /nfs/dbraw/zinc/38/99/22/259389922.db2.gz BPBBIPPEVHSGSZ-ZDUSSCGKSA-N 1 0 221.344 3.813 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000390462188 711118555 /nfs/dbraw/zinc/11/85/55/711118555.db2.gz GGYRLRWZBIEYDI-UHFFFAOYSA-N 1 0 221.319 3.617 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000390469896 259390113 /nfs/dbraw/zinc/39/01/13/259390113.db2.gz IVHZWFICRFGUOK-GFCCVEGCSA-N 1 0 221.319 3.751 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000390469898 259390347 /nfs/dbraw/zinc/39/03/47/259390347.db2.gz IVHZWFICRFGUOK-LBPRGKRZSA-N 1 0 221.319 3.751 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1cc(C)sc1C)C(C)(C)C ZINC000390469908 711119488 /nfs/dbraw/zinc/11/94/88/711119488.db2.gz IVLMNBMNMDBJGR-CYBMUJFWSA-N 1 0 235.396 3.502 20 30 BHEDRO C#C[C@H]([NH2+]Cc1cc(C)sc1C)C(C)(C)C ZINC000390469914 711119047 /nfs/dbraw/zinc/11/90/47/711119047.db2.gz IVLMNBMNMDBJGR-ZDUSSCGKSA-N 1 0 235.396 3.502 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1cscc1C)C1CC1 ZINC000390477132 259390407 /nfs/dbraw/zinc/39/04/07/259390407.db2.gz LEMMBWAHXIBYQP-AWEZNQCLSA-N 1 0 235.396 3.891 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1cscc1C)C1CC1 ZINC000390477136 259390453 /nfs/dbraw/zinc/39/04/53/259390453.db2.gz LEMMBWAHXIBYQP-CQSZACIVSA-N 1 0 235.396 3.891 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000390477644 259390168 /nfs/dbraw/zinc/39/01/68/259390168.db2.gz LKCYCJMKJYDTRD-GFCCVEGCSA-N 1 0 221.319 3.751 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000390477647 259390365 /nfs/dbraw/zinc/39/03/65/259390365.db2.gz LKCYCJMKJYDTRD-LBPRGKRZSA-N 1 0 221.319 3.751 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(SC)cc1 ZINC000390477750 259390277 /nfs/dbraw/zinc/39/02/77/259390277.db2.gz JVCOEJIPJUENFS-UHFFFAOYSA-N 1 0 235.396 3.854 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000390503964 259391310 /nfs/dbraw/zinc/39/13/10/259391310.db2.gz WCNJLYADXIFYNV-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(F)c1F ZINC000390503965 259391234 /nfs/dbraw/zinc/39/12/34/259391234.db2.gz WCNJLYADXIFYNV-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)ccc1C ZINC000390505929 385353832 /nfs/dbraw/zinc/35/38/32/385353832.db2.gz XAYDFCLVZPEVHA-HNNXBMFYSA-N 1 0 217.356 3.748 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)ccc1C ZINC000390505930 262740771 /nfs/dbraw/zinc/74/07/71/262740771.db2.gz XAYDFCLVZPEVHA-OAHLLOKOSA-N 1 0 217.356 3.748 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000390507299 711121199 /nfs/dbraw/zinc/12/11/99/711121199.db2.gz XTGKUILCPJIERY-JTQLQIEISA-N 1 0 234.730 3.571 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000390507300 711122031 /nfs/dbraw/zinc/12/20/31/711122031.db2.gz XTGKUILCPJIERY-SNVBAGLBSA-N 1 0 234.730 3.571 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000390508382 259391289 /nfs/dbraw/zinc/39/12/89/259391289.db2.gz YGLPTISKYGCDDB-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000390511288 711123186 /nfs/dbraw/zinc/12/31/86/711123186.db2.gz ZNSSGFYXGBRFEO-HNNXBMFYSA-N 1 0 215.340 3.538 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000390511289 711122920 /nfs/dbraw/zinc/12/29/20/711122920.db2.gz ZNSSGFYXGBRFEO-OAHLLOKOSA-N 1 0 215.340 3.538 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccccc1F ZINC000390511882 259391863 /nfs/dbraw/zinc/39/18/63/259391863.db2.gz ZOTORDRIAOOONK-GFCCVEGCSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccccc1F ZINC000390511883 259392036 /nfs/dbraw/zinc/39/20/36/259392036.db2.gz ZOTORDRIAOOONK-LBPRGKRZSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000390515080 712420052 /nfs/dbraw/zinc/42/00/52/712420052.db2.gz CSDQPLDUEDBTOX-KBPBESRZSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000390515083 712420058 /nfs/dbraw/zinc/42/00/58/712420058.db2.gz CSDQPLDUEDBTOX-KGLIPLIRSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000390515087 712420102 /nfs/dbraw/zinc/42/01/02/712420102.db2.gz CSDQPLDUEDBTOX-UONOGXRCSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000390515091 712419941 /nfs/dbraw/zinc/41/99/41/712419941.db2.gz CSDQPLDUEDBTOX-ZIAGYGMSSA-N 1 0 241.444 3.997 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000390515496 259391658 /nfs/dbraw/zinc/39/16/58/259391658.db2.gz CVQBNOHQEATWBT-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000390518588 259391842 /nfs/dbraw/zinc/39/18/42/259391842.db2.gz DPSIAFXOWOZQIH-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000390518591 259391875 /nfs/dbraw/zinc/39/18/75/259391875.db2.gz DPSIAFXOWOZQIH-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1cc(C)on1 ZINC000390523842 711123093 /nfs/dbraw/zinc/12/30/93/711123093.db2.gz GBZZBOIKPSCPIV-GFCCVEGCSA-N 1 0 224.348 3.604 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCSCC1 ZINC000390524658 711123213 /nfs/dbraw/zinc/12/32/13/711123213.db2.gz GIIJJBDQPJONPE-CYBMUJFWSA-N 1 0 241.444 3.997 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C1CCSCC1 ZINC000390524660 711123302 /nfs/dbraw/zinc/12/33/02/711123302.db2.gz GIIJJBDQPJONPE-ZDUSSCGKSA-N 1 0 241.444 3.997 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000390527692 259392495 /nfs/dbraw/zinc/39/24/95/259392495.db2.gz HKDSBMYDFBIVFQ-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CC[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000390535366 539026084 /nfs/dbraw/zinc/02/60/84/539026084.db2.gz JYEFZNJDKJPMCU-CYBMUJFWSA-N 1 0 221.319 3.689 20 30 BHEDRO C=CC[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000390535367 539026078 /nfs/dbraw/zinc/02/60/78/539026078.db2.gz JYEFZNJDKJPMCU-ZDUSSCGKSA-N 1 0 221.319 3.689 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000390544060 711124417 /nfs/dbraw/zinc/12/44/17/711124417.db2.gz MFUQHWSHILIEIE-BFHYXJOUSA-N 1 0 229.408 3.748 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000390544061 711124237 /nfs/dbraw/zinc/12/42/37/711124237.db2.gz MFUQHWSHILIEIE-MCIONIFRSA-N 1 0 229.408 3.748 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000390544062 711123646 /nfs/dbraw/zinc/12/36/46/711123646.db2.gz MFUQHWSHILIEIE-MGPQQGTHSA-N 1 0 229.408 3.748 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000390544063 711124097 /nfs/dbraw/zinc/12/40/97/711124097.db2.gz MFUQHWSHILIEIE-MJBXVCDLSA-N 1 0 229.408 3.748 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)CCC)c1ccccc1 ZINC000390554936 711124889 /nfs/dbraw/zinc/12/48/89/711124889.db2.gz QBFXCJDTKYKHHI-DZGCQCFKSA-N 1 0 215.340 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)CCC)c1ccccc1 ZINC000390554939 711125359 /nfs/dbraw/zinc/12/53/59/711125359.db2.gz QBFXCJDTKYKHHI-HIFRSBDPSA-N 1 0 215.340 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)CCC)c1ccccc1 ZINC000390554941 711125792 /nfs/dbraw/zinc/12/57/92/711125792.db2.gz QBFXCJDTKYKHHI-UKRRQHHQSA-N 1 0 215.340 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)CCC)c1ccccc1 ZINC000390554943 711125084 /nfs/dbraw/zinc/12/50/84/711125084.db2.gz QBFXCJDTKYKHHI-ZFWWWQNUSA-N 1 0 215.340 3.529 20 30 BHEDRO C#CCCCC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000390558079 711125616 /nfs/dbraw/zinc/12/56/16/711125616.db2.gz RCXNSVNHVMNYEA-AWEZNQCLSA-N 1 0 221.388 3.596 20 30 BHEDRO C#CCCCC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000390558082 711125394 /nfs/dbraw/zinc/12/53/94/711125394.db2.gz RCXNSVNHVMNYEA-CQSZACIVSA-N 1 0 221.388 3.596 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390563417 323084748 /nfs/dbraw/zinc/08/47/48/323084748.db2.gz MYVRFHJRQCIBFF-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000390563421 323084751 /nfs/dbraw/zinc/08/47/51/323084751.db2.gz MYVRFHJRQCIBFF-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390563422 323084692 /nfs/dbraw/zinc/08/46/92/323084692.db2.gz MYVRFHJRQCIBFF-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000390563425 323084721 /nfs/dbraw/zinc/08/47/21/323084721.db2.gz MYVRFHJRQCIBFF-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000390565220 323084753 /nfs/dbraw/zinc/08/47/53/323084753.db2.gz LLHCSBHCMASUSC-GFCCVEGCSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000390565221 323084757 /nfs/dbraw/zinc/08/47/57/323084757.db2.gz LLHCSBHCMASUSC-LBPRGKRZSA-N 1 0 221.319 3.833 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1(C(F)(F)F)CC1 ZINC000390578078 259393954 /nfs/dbraw/zinc/39/39/54/259393954.db2.gz WKLCRXIEWRTMRM-JTQLQIEISA-N 1 0 235.293 3.663 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1(C(F)(F)F)CC1 ZINC000390578079 259394126 /nfs/dbraw/zinc/39/41/26/259394126.db2.gz WKLCRXIEWRTMRM-SNVBAGLBSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000390583894 259394774 /nfs/dbraw/zinc/39/47/74/259394774.db2.gz XPKHYGZAPAHPRD-HNNXBMFYSA-N 1 0 215.340 3.694 20 30 BHEDRO C=C(CC)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000390583895 259394441 /nfs/dbraw/zinc/39/44/41/259394441.db2.gz XPKHYGZAPAHPRD-OAHLLOKOSA-N 1 0 215.340 3.694 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(SC)cc1 ZINC000390584499 259394409 /nfs/dbraw/zinc/39/44/09/259394409.db2.gz XVANLMSTXFFDLQ-CYBMUJFWSA-N 1 0 235.396 3.853 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(SC)cc1 ZINC000390584501 259394427 /nfs/dbraw/zinc/39/44/27/259394427.db2.gz XVANLMSTXFFDLQ-ZDUSSCGKSA-N 1 0 235.396 3.853 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(F)cc1C ZINC000390609569 259395176 /nfs/dbraw/zinc/39/51/76/259395176.db2.gz ZEZZUMHVIOVOHU-UHFFFAOYSA-N 1 0 221.319 3.580 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000390614410 259395643 /nfs/dbraw/zinc/39/56/43/259395643.db2.gz GHYGICWERDREOE-AAEUAGOBSA-N 1 0 233.380 3.778 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000390614412 259395936 /nfs/dbraw/zinc/39/59/36/259395936.db2.gz GHYGICWERDREOE-DGCLKSJQSA-N 1 0 233.380 3.778 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000390614413 259395660 /nfs/dbraw/zinc/39/56/60/259395660.db2.gz GHYGICWERDREOE-WCQYABFASA-N 1 0 233.380 3.778 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000390614415 259395565 /nfs/dbraw/zinc/39/55/65/259395565.db2.gz GHYGICWERDREOE-YPMHNXCESA-N 1 0 233.380 3.778 20 30 BHEDRO C=C(Cl)C[NH2+]CCc1ccc(C(C)C)cc1 ZINC000390622783 712422066 /nfs/dbraw/zinc/42/20/66/712422066.db2.gz JAVUZSUWIMEBOW-UHFFFAOYSA-N 1 0 237.774 3.695 20 30 BHEDRO C#CCCC[NH2+][C@@H](CCC)C1CCCCC1 ZINC000390629803 712422861 /nfs/dbraw/zinc/42/28/61/712422861.db2.gz KVYZUQYGTMXWIX-HNNXBMFYSA-N 1 0 221.388 3.738 20 30 BHEDRO C#CCCC[NH2+][C@H](CCC)C1CCCCC1 ZINC000390629804 712422835 /nfs/dbraw/zinc/42/28/35/712422835.db2.gz KVYZUQYGTMXWIX-OAHLLOKOSA-N 1 0 221.388 3.738 20 30 BHEDRO CC[N@H+](CCCC(C)(C)C#N)CC(C)(C)C ZINC000390653646 259396933 /nfs/dbraw/zinc/39/69/33/259396933.db2.gz OFGWBBCCNHGTCW-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000390658472 259396726 /nfs/dbraw/zinc/39/67/26/259396726.db2.gz ROJWULFPFOMNOM-AVGNSLFASA-N 1 0 243.460 3.954 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000390658474 259396807 /nfs/dbraw/zinc/39/68/07/259396807.db2.gz ROJWULFPFOMNOM-RWMBFGLXSA-N 1 0 243.460 3.954 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](SC)C(C)(C)C ZINC000390658476 259397175 /nfs/dbraw/zinc/39/71/75/259397175.db2.gz ROJWULFPFOMNOM-XQQFMLRXSA-N 1 0 243.460 3.954 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](SC)C(C)(C)C ZINC000390658478 259397082 /nfs/dbraw/zinc/39/70/82/259397082.db2.gz ROJWULFPFOMNOM-YNEHKIRRSA-N 1 0 243.460 3.954 20 30 BHEDRO C=CCCCCCC[NH2+]C(C1CC1)C1CC1 ZINC000390664167 711131083 /nfs/dbraw/zinc/13/10/83/711131083.db2.gz RAGJWYCRUGCKDI-UHFFFAOYSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000390672947 259397603 /nfs/dbraw/zinc/39/76/03/259397603.db2.gz WCNDPILIAOWNRU-GFCCVEGCSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000390672948 259397309 /nfs/dbraw/zinc/39/73/09/259397309.db2.gz WCNDPILIAOWNRU-LBPRGKRZSA-N 1 0 221.388 3.900 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)C1CC1 ZINC000390673844 259397636 /nfs/dbraw/zinc/39/76/36/259397636.db2.gz WLOJXMDGLCNXKP-CFVMTHIKSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)C1CC1 ZINC000390673846 259397532 /nfs/dbraw/zinc/39/75/32/259397532.db2.gz WLOJXMDGLCNXKP-QEJZJMRPSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)C1CC1 ZINC000390673848 259397416 /nfs/dbraw/zinc/39/74/16/259397416.db2.gz WLOJXMDGLCNXKP-SNPRPXQTSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC[C@H]1C)C1CC1 ZINC000390673849 259397452 /nfs/dbraw/zinc/39/74/52/259397452.db2.gz WLOJXMDGLCNXKP-YUELXQCFSA-N 1 0 221.388 3.757 20 30 BHEDRO C=CCC[NH2+]C(C)(C)c1ccc(CC)cc1 ZINC000390677233 259397990 /nfs/dbraw/zinc/39/79/90/259397990.db2.gz YDQHZEHFWINZIF-UHFFFAOYSA-N 1 0 217.356 3.650 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1nccs1 ZINC000390679279 711132026 /nfs/dbraw/zinc/13/20/26/711132026.db2.gz YZFTWVGDQQVNTA-GFCCVEGCSA-N 1 0 238.400 3.758 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1nccs1 ZINC000390679280 711132736 /nfs/dbraw/zinc/13/27/36/711132736.db2.gz YZFTWVGDQQVNTA-LBPRGKRZSA-N 1 0 238.400 3.758 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000390680958 712423871 /nfs/dbraw/zinc/42/38/71/712423871.db2.gz ZSOLOXAQRGGVMS-KBPBESRZSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000390680965 712423875 /nfs/dbraw/zinc/42/38/75/712423875.db2.gz ZSOLOXAQRGGVMS-KGLIPLIRSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000390680966 712423867 /nfs/dbraw/zinc/42/38/67/712423867.db2.gz ZSOLOXAQRGGVMS-UONOGXRCSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000390680968 712423886 /nfs/dbraw/zinc/42/38/86/712423886.db2.gz ZSOLOXAQRGGVMS-ZIAGYGMSSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000390746351 711132331 /nfs/dbraw/zinc/13/23/31/711132331.db2.gz AHTYWKFZMXCRTN-BTTYYORXSA-N 1 0 227.392 3.502 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCCC[C@@H]1OC ZINC000390751079 711131799 /nfs/dbraw/zinc/13/17/99/711131799.db2.gz DACJQHWZIJXNMU-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCC1(F)CCC1 ZINC000390756809 259399995 /nfs/dbraw/zinc/39/99/95/259399995.db2.gz IIWYTJLEIKJKRR-CYBMUJFWSA-N 1 0 227.367 3.993 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCC1(F)CCC1 ZINC000390756810 385473427 /nfs/dbraw/zinc/47/34/27/385473427.db2.gz IIWYTJLEIKJKRR-ZDUSSCGKSA-N 1 0 227.367 3.993 20 30 BHEDRO C=C(C[NH2+]C[C@H](C)CCC)c1ccccc1 ZINC000390767769 385840817 /nfs/dbraw/zinc/84/08/17/385840817.db2.gz SKLSMHKVHHWWQY-CYBMUJFWSA-N 1 0 217.356 3.726 20 30 BHEDRO C=C(C[NH2+]C[C@@H](C)CCC)c1ccccc1 ZINC000390767770 385840709 /nfs/dbraw/zinc/84/07/09/385840709.db2.gz SKLSMHKVHHWWQY-ZDUSSCGKSA-N 1 0 217.356 3.726 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000390771045 398098375 /nfs/dbraw/zinc/09/83/75/398098375.db2.gz VYPMOVKNJCVNSU-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000390780369 539027281 /nfs/dbraw/zinc/02/72/81/539027281.db2.gz JFVANMODPAEENC-NEPJUHHUSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000390780370 539027265 /nfs/dbraw/zinc/02/72/65/539027265.db2.gz JFVANMODPAEENC-NWDGAFQWSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000390780371 539027230 /nfs/dbraw/zinc/02/72/30/539027230.db2.gz JFVANMODPAEENC-RYUDHWBXSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000390780372 539027217 /nfs/dbraw/zinc/02/72/17/539027217.db2.gz JFVANMODPAEENC-VXGBXAGGSA-N 1 0 229.314 3.509 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc(C#N)s1 ZINC000390814194 711134618 /nfs/dbraw/zinc/13/46/18/711134618.db2.gz GFHOMOUQYFOHSN-UHFFFAOYSA-N 1 0 236.384 3.680 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC1(F)CCC1)C1CC1 ZINC000390815243 259415786 /nfs/dbraw/zinc/41/57/86/259415786.db2.gz IYHOJGVNCOKAFE-CYBMUJFWSA-N 1 0 225.351 3.603 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC1(F)CCC1)C1CC1 ZINC000390815244 259415649 /nfs/dbraw/zinc/41/56/49/259415649.db2.gz IYHOJGVNCOKAFE-ZDUSSCGKSA-N 1 0 225.351 3.603 20 30 BHEDRO CCCCCCC[NH2+]Cc1cc(C#N)cs1 ZINC000390821602 711136137 /nfs/dbraw/zinc/13/61/37/711136137.db2.gz ZBXFARJJPGLILQ-UHFFFAOYSA-N 1 0 236.384 3.680 20 30 BHEDRO C=CCC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000390821917 385925483 /nfs/dbraw/zinc/92/54/83/385925483.db2.gz ZVZFIQOZZTZPKA-UHFFFAOYSA-N 1 0 235.758 3.885 20 30 BHEDRO CCC(CC)(CC)C[NH2+]Cc1cccc(C#N)c1 ZINC000391114837 371267695 /nfs/dbraw/zinc/26/76/95/371267695.db2.gz FFIWFXMULKCITR-UHFFFAOYSA-N 1 0 244.382 3.864 20 30 BHEDRO CCC(CC)(CC)C[NH2+]Cc1ccc(C#N)cc1 ZINC000391131934 371268619 /nfs/dbraw/zinc/26/86/19/371268619.db2.gz NMIICSPQTZWHKF-UHFFFAOYSA-N 1 0 244.382 3.864 20 30 BHEDRO C=CCSCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000392888121 387297901 /nfs/dbraw/zinc/29/79/01/387297901.db2.gz MBXHFOPBUZWLFU-CYBMUJFWSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCSCC[NH2+][C@H]1CCCC12CCCC2 ZINC000392888136 387296558 /nfs/dbraw/zinc/29/65/58/387296558.db2.gz MBXHFOPBUZWLFU-ZDUSSCGKSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CC=C ZINC000393444835 357308962 /nfs/dbraw/zinc/30/89/62/357308962.db2.gz RHZHHTRLYICQOC-CHWSQXEVSA-N 1 0 209.377 3.779 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CC=C ZINC000393444837 357308876 /nfs/dbraw/zinc/30/88/76/357308876.db2.gz RHZHHTRLYICQOC-OLZOCXBDSA-N 1 0 209.377 3.779 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CC=C ZINC000393444838 357308762 /nfs/dbraw/zinc/30/87/62/357308762.db2.gz RHZHHTRLYICQOC-QWHCGFSZSA-N 1 0 209.377 3.779 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CC=C ZINC000393444840 357309006 /nfs/dbraw/zinc/30/90/06/357309006.db2.gz RHZHHTRLYICQOC-STQMWFEESA-N 1 0 209.377 3.779 20 30 BHEDRO CCCCCCCCC[N@@H+]1CCC[C@H](O)CC1 ZINC000393453092 711159504 /nfs/dbraw/zinc/15/95/04/711159504.db2.gz GWPMPOWUZJDYED-HNNXBMFYSA-N 1 0 241.419 3.584 20 30 BHEDRO CCCCCCCCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000393453093 711159212 /nfs/dbraw/zinc/15/92/12/711159212.db2.gz GWPMPOWUZJDYED-OAHLLOKOSA-N 1 0 241.419 3.584 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)CC=C ZINC000393466813 357311214 /nfs/dbraw/zinc/31/12/14/357311214.db2.gz IRZSYIRPJGYMAU-CYBMUJFWSA-N 1 0 209.377 3.923 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)CC=C ZINC000393466814 357311088 /nfs/dbraw/zinc/31/10/88/357311088.db2.gz IRZSYIRPJGYMAU-ZDUSSCGKSA-N 1 0 209.377 3.923 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1cccs1 ZINC000393479763 410695276 /nfs/dbraw/zinc/69/52/76/410695276.db2.gz IBKGMXKFKWUROY-GFCCVEGCSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000393479766 410695200 /nfs/dbraw/zinc/69/52/00/410695200.db2.gz IBKGMXKFKWUROY-LBPRGKRZSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000393496161 357285503 /nfs/dbraw/zinc/28/55/03/357285503.db2.gz PVQWFUDQLMOGHN-GFCCVEGCSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000393496243 357285681 /nfs/dbraw/zinc/28/56/81/357285681.db2.gz PVQWFUDQLMOGHN-LBPRGKRZSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393520243 342952065 /nfs/dbraw/zinc/95/20/65/342952065.db2.gz NYMPVWXUNMCAOE-FRRDWIJNSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H]1F ZINC000393520244 371512362 /nfs/dbraw/zinc/51/23/62/371512362.db2.gz NYMPVWXUNMCAOE-RWMBFGLXSA-N 1 0 213.340 3.602 20 30 BHEDRO CCCCCCCCC[NH2+][C@H](C)CC#N ZINC000393613575 711676937 /nfs/dbraw/zinc/67/69/37/711676937.db2.gz KHVKBXUYUJJNRM-CYBMUJFWSA-N 1 0 210.365 3.629 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H](C)CC#N ZINC000393613576 711676827 /nfs/dbraw/zinc/67/68/27/711676827.db2.gz KHVKBXUYUJJNRM-ZDUSSCGKSA-N 1 0 210.365 3.629 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccccc1Cl ZINC000393616485 388435509 /nfs/dbraw/zinc/43/55/09/388435509.db2.gz SHPZRSUUFINXLK-GFCCVEGCSA-N 1 0 223.747 3.784 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccccc1Cl ZINC000393616486 388435085 /nfs/dbraw/zinc/43/50/85/388435085.db2.gz SHPZRSUUFINXLK-LBPRGKRZSA-N 1 0 223.747 3.784 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000393623478 323711026 /nfs/dbraw/zinc/71/10/26/323711026.db2.gz OAQXECVAGRMGOO-NXEZZACHSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H](C)C(F)(F)F ZINC000393623479 259377272 /nfs/dbraw/zinc/37/72/72/259377272.db2.gz OAQXECVAGRMGOO-UWVGGRQHSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](C)C(F)(F)F ZINC000393623480 259377334 /nfs/dbraw/zinc/37/73/34/259377334.db2.gz OAQXECVAGRMGOO-VHSXEESVSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](C)C(F)(F)F ZINC000393623484 388436505 /nfs/dbraw/zinc/43/65/05/388436505.db2.gz OAQXECVAGRMGOO-ZJUUUORDSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1sccc1C ZINC000393681544 388437978 /nfs/dbraw/zinc/43/79/78/388437978.db2.gz DJEPXGYTQUOIHY-LLVKDONJSA-N 1 0 209.358 3.501 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1sccc1C ZINC000393681545 259709355 /nfs/dbraw/zinc/70/93/55/259709355.db2.gz DJEPXGYTQUOIHY-NSHDSACASA-N 1 0 209.358 3.501 20 30 BHEDRO C#CCCC[NH2+]Cc1csc(Cl)c1Cl ZINC000393682621 711169645 /nfs/dbraw/zinc/16/96/45/711169645.db2.gz LDBZIFRMWQGGJM-UHFFFAOYSA-N 1 0 248.178 3.558 20 30 BHEDRO C=C(Br)C[NH2+][C@H](C)[C@@H](C)CCCC ZINC000393709846 711676462 /nfs/dbraw/zinc/67/64/62/711676462.db2.gz GMHAZLYLRWTWOW-GXSJLCMTSA-N 1 0 248.208 3.699 20 30 BHEDRO C=C(Br)C[NH2+][C@@H](C)[C@H](C)CCCC ZINC000393709852 711676470 /nfs/dbraw/zinc/67/64/70/711676470.db2.gz GMHAZLYLRWTWOW-KOLCDFICSA-N 1 0 248.208 3.699 20 30 BHEDRO C=C(Br)C[NH2+][C@H](C)[C@H](C)CCCC ZINC000393709853 711170863 /nfs/dbraw/zinc/17/08/63/711170863.db2.gz GMHAZLYLRWTWOW-MWLCHTKSSA-N 1 0 248.208 3.699 20 30 BHEDRO C=C(Br)C[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000393709857 711170758 /nfs/dbraw/zinc/17/07/58/711170758.db2.gz GMHAZLYLRWTWOW-ONGXEEELSA-N 1 0 248.208 3.699 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000393732670 388440105 /nfs/dbraw/zinc/44/01/05/388440105.db2.gz AUQOPUJPLWEZIP-CHWSQXEVSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000393732672 259710556 /nfs/dbraw/zinc/71/05/56/259710556.db2.gz AUQOPUJPLWEZIP-OLZOCXBDSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000393732673 259710606 /nfs/dbraw/zinc/71/06/06/259710606.db2.gz AUQOPUJPLWEZIP-QWHCGFSZSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000393732675 259710167 /nfs/dbraw/zinc/71/01/67/259710167.db2.gz AUQOPUJPLWEZIP-STQMWFEESA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000393736717 387021407 /nfs/dbraw/zinc/02/14/07/387021407.db2.gz ACVGNRWTZGBGFB-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000393736718 387021374 /nfs/dbraw/zinc/02/13/74/387021374.db2.gz ACVGNRWTZGBGFB-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000393736719 387021340 /nfs/dbraw/zinc/02/13/40/387021340.db2.gz ACVGNRWTZGBGFB-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000393736720 387021048 /nfs/dbraw/zinc/02/10/48/387021048.db2.gz ACVGNRWTZGBGFB-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2ccccc2o1 ZINC000393739642 388440052 /nfs/dbraw/zinc/44/00/52/388440052.db2.gz AVFUJFQFPZTWCM-CYBMUJFWSA-N 1 0 229.323 3.877 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc2ccccc2o1 ZINC000393739644 388439862 /nfs/dbraw/zinc/43/98/62/388439862.db2.gz AVFUJFQFPZTWCM-ZDUSSCGKSA-N 1 0 229.323 3.877 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(F)cc1Cl ZINC000393739796 388440003 /nfs/dbraw/zinc/44/00/03/388440003.db2.gz HUFBRFHBWBRABT-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000393742913 357295330 /nfs/dbraw/zinc/29/53/30/357295330.db2.gz DAYZYBBNKIXPRJ-AWEZNQCLSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000393743106 388440051 /nfs/dbraw/zinc/44/00/51/388440051.db2.gz GZBGMSHBXWGLJT-HZMBPMFUSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000393743108 388440015 /nfs/dbraw/zinc/44/00/15/388440015.db2.gz GZBGMSHBXWGLJT-IINYFYTJSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000393743109 388440323 /nfs/dbraw/zinc/44/03/23/388440323.db2.gz GZBGMSHBXWGLJT-QMTHXVAHSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000393743111 388440005 /nfs/dbraw/zinc/44/00/05/388440005.db2.gz GZBGMSHBXWGLJT-YGRLFVJLSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000393743314 357295377 /nfs/dbraw/zinc/29/53/77/357295377.db2.gz DAYZYBBNKIXPRJ-CQSZACIVSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000393745317 388440295 /nfs/dbraw/zinc/44/02/95/388440295.db2.gz JBLLHRLIBURUJX-CMPLNLGQSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000393745320 388440021 /nfs/dbraw/zinc/44/00/21/388440021.db2.gz JBLLHRLIBURUJX-JQWIXIFHSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000393745323 388440165 /nfs/dbraw/zinc/44/01/65/388440165.db2.gz JBLLHRLIBURUJX-PWSUYJOCSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000393745326 388439873 /nfs/dbraw/zinc/43/98/73/388439873.db2.gz JBLLHRLIBURUJX-ZYHUDNBSSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000393750247 387954842 /nfs/dbraw/zinc/95/48/42/387954842.db2.gz NWNNWZGWBXVFOI-GDBMZVCRSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000393750249 387954394 /nfs/dbraw/zinc/95/43/94/387954394.db2.gz NWNNWZGWBXVFOI-GOEBONIOSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000393750251 387954320 /nfs/dbraw/zinc/95/43/20/387954320.db2.gz NWNNWZGWBXVFOI-HOCLYGCPSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000393750252 387954555 /nfs/dbraw/zinc/95/45/55/387954555.db2.gz NWNNWZGWBXVFOI-ZBFHGGJFSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2ccccc21 ZINC000393752531 387057369 /nfs/dbraw/zinc/05/73/69/387057369.db2.gz SZPAICHDJWCBHG-DZGCQCFKSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2ccccc21 ZINC000393752533 262812848 /nfs/dbraw/zinc/81/28/48/262812848.db2.gz SZPAICHDJWCBHG-HIFRSBDPSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2ccccc21 ZINC000393752535 262812846 /nfs/dbraw/zinc/81/28/46/262812846.db2.gz SZPAICHDJWCBHG-UKRRQHHQSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2ccccc21 ZINC000393752536 387058645 /nfs/dbraw/zinc/05/86/45/387058645.db2.gz SZPAICHDJWCBHG-ZFWWWQNUSA-N 1 0 215.340 3.618 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccccc1OC ZINC000393753934 387093844 /nfs/dbraw/zinc/09/38/44/387093844.db2.gz GOSDFSZEBIPTNN-CHWSQXEVSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccccc1OC ZINC000393753935 259472002 /nfs/dbraw/zinc/47/20/02/259472002.db2.gz GOSDFSZEBIPTNN-OLZOCXBDSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccccc1OC ZINC000393753936 387093296 /nfs/dbraw/zinc/09/32/96/387093296.db2.gz GOSDFSZEBIPTNN-QWHCGFSZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccccc1OC ZINC000393753937 387093913 /nfs/dbraw/zinc/09/39/13/387093913.db2.gz GOSDFSZEBIPTNN-STQMWFEESA-N 1 0 233.355 3.701 20 30 BHEDRO C=C(CC)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000393754632 387097346 /nfs/dbraw/zinc/09/73/46/387097346.db2.gz VSTBTMHMVQAETF-UHFFFAOYSA-N 1 0 235.758 3.885 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000393756482 711172537 /nfs/dbraw/zinc/17/25/37/711172537.db2.gz SQDCJWBURJHXMZ-DZGCQCFKSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000393756484 711172312 /nfs/dbraw/zinc/17/23/12/711172312.db2.gz SQDCJWBURJHXMZ-HIFRSBDPSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000393756485 711870469 /nfs/dbraw/zinc/87/04/69/711870469.db2.gz SQDCJWBURJHXMZ-UKRRQHHQSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000393756487 711172466 /nfs/dbraw/zinc/17/24/66/711172466.db2.gz SQDCJWBURJHXMZ-ZFWWWQNUSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000393758440 388441342 /nfs/dbraw/zinc/44/13/42/388441342.db2.gz JPGKODZIINTFDK-GXTWGEPZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000393758442 388441135 /nfs/dbraw/zinc/44/11/35/388441135.db2.gz JPGKODZIINTFDK-JSGCOSHPSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000393758443 388441211 /nfs/dbraw/zinc/44/12/11/388441211.db2.gz JPGKODZIINTFDK-OCCSQVGLSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000393758444 388441178 /nfs/dbraw/zinc/44/11/78/388441178.db2.gz JPGKODZIINTFDK-TZMCWYRMSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C1CC(c2ccccc2)C1 ZINC000393758692 388440975 /nfs/dbraw/zinc/44/09/75/388440975.db2.gz URXMWXKWFMDGRL-HWOWSKLDSA-N 1 0 229.367 3.877 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C1CC(c2ccccc2)C1 ZINC000393758695 388441380 /nfs/dbraw/zinc/44/13/80/388441380.db2.gz URXMWXKWFMDGRL-PCKAHOCUSA-N 1 0 229.367 3.877 20 30 BHEDRO C#CC[C@H]([NH2+]CCCCC)c1ccccc1 ZINC000393759344 711172298 /nfs/dbraw/zinc/17/22/98/711172298.db2.gz ZDZKONOSYKVOTC-HNNXBMFYSA-N 1 0 215.340 3.531 20 30 BHEDRO C#CC[C@@H]([NH2+]CCCCC)c1ccccc1 ZINC000393759345 711677287 /nfs/dbraw/zinc/67/72/87/711677287.db2.gz ZDZKONOSYKVOTC-OAHLLOKOSA-N 1 0 215.340 3.531 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]CCC1CCCCCC1 ZINC000393759349 387162430 /nfs/dbraw/zinc/16/24/30/387162430.db2.gz ZENBJKFDFJDHEW-AWEZNQCLSA-N 1 0 222.376 3.629 20 30 BHEDRO CC[C@H](CC#N)[NH2+]CCC1CCCCCC1 ZINC000393759350 387161123 /nfs/dbraw/zinc/16/11/23/387161123.db2.gz ZENBJKFDFJDHEW-CQSZACIVSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000393759501 387162706 /nfs/dbraw/zinc/16/27/06/387162706.db2.gz VMCNGKWZPGKGMP-CMPLNLGQSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000393759502 385255073 /nfs/dbraw/zinc/25/50/73/385255073.db2.gz VMCNGKWZPGKGMP-JQWIXIFHSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000393759503 387160949 /nfs/dbraw/zinc/16/09/49/387160949.db2.gz VMCNGKWZPGKGMP-PWSUYJOCSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000393759504 387162627 /nfs/dbraw/zinc/16/26/27/387162627.db2.gz VMCNGKWZPGKGMP-ZYHUDNBSSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccoc1C ZINC000393760776 582923140 /nfs/dbraw/zinc/92/31/40/582923140.db2.gz KYFCBQIXWGRZOH-AWEZNQCLSA-N 1 0 221.344 3.813 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccoc1C ZINC000393760779 582922859 /nfs/dbraw/zinc/92/28/59/582922859.db2.gz KYFCBQIXWGRZOH-CQSZACIVSA-N 1 0 221.344 3.813 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000393761976 710672810 /nfs/dbraw/zinc/67/28/10/710672810.db2.gz MKGLWHMXLYEUAG-CHWSQXEVSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000393761977 710672871 /nfs/dbraw/zinc/67/28/71/710672871.db2.gz MKGLWHMXLYEUAG-OLZOCXBDSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000393761978 710672923 /nfs/dbraw/zinc/67/29/23/710672923.db2.gz MKGLWHMXLYEUAG-QWHCGFSZSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000393763513 387265831 /nfs/dbraw/zinc/26/58/31/387265831.db2.gz ZLKNBWCEUFJDGT-CMPLNLGQSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000393763514 387264631 /nfs/dbraw/zinc/26/46/31/387264631.db2.gz ZLKNBWCEUFJDGT-JQWIXIFHSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000393763515 259356129 /nfs/dbraw/zinc/35/61/29/259356129.db2.gz ZLKNBWCEUFJDGT-PWSUYJOCSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000393763516 387265930 /nfs/dbraw/zinc/26/59/30/387265930.db2.gz ZLKNBWCEUFJDGT-ZYHUDNBSSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000393763940 582922506 /nfs/dbraw/zinc/92/25/06/582922506.db2.gz OMUVAJMPIUMHSZ-CMPLNLGQSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000393763942 583957279 /nfs/dbraw/zinc/95/72/79/583957279.db2.gz OMUVAJMPIUMHSZ-JQWIXIFHSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000393763943 582922897 /nfs/dbraw/zinc/92/28/97/582922897.db2.gz OMUVAJMPIUMHSZ-PWSUYJOCSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000393763945 582922599 /nfs/dbraw/zinc/92/25/99/582922599.db2.gz OMUVAJMPIUMHSZ-ZYHUDNBSSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000393765912 323384232 /nfs/dbraw/zinc/38/42/32/323384232.db2.gz BRIZQSPPTOFCEA-DZGCQCFKSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000393765913 323384507 /nfs/dbraw/zinc/38/45/07/323384507.db2.gz BRIZQSPPTOFCEA-HIFRSBDPSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000393765914 323384415 /nfs/dbraw/zinc/38/44/15/323384415.db2.gz BRIZQSPPTOFCEA-UKRRQHHQSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000393765916 323384347 /nfs/dbraw/zinc/38/43/47/323384347.db2.gz BRIZQSPPTOFCEA-ZFWWWQNUSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000393766539 388441213 /nfs/dbraw/zinc/44/12/13/388441213.db2.gz CHDCDLSLNIBNDG-DZGCQCFKSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccccc1OC ZINC000393766541 388441143 /nfs/dbraw/zinc/44/11/43/388441143.db2.gz CHDCDLSLNIBNDG-HIFRSBDPSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccccc1OC ZINC000393766544 323384510 /nfs/dbraw/zinc/38/45/10/323384510.db2.gz CHDCDLSLNIBNDG-UKRRQHHQSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000393766546 323384032 /nfs/dbraw/zinc/38/40/32/323384032.db2.gz CHDCDLSLNIBNDG-ZFWWWQNUSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000393767096 388441420 /nfs/dbraw/zinc/44/14/20/388441420.db2.gz BBNURDHLEOXFBO-UHFFFAOYSA-N 1 0 221.319 3.580 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCC)cc1 ZINC000393767346 259356137 /nfs/dbraw/zinc/35/61/37/259356137.db2.gz QMMUWZLRJNAJDZ-AWEZNQCLSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCC)cc1 ZINC000393767347 323384956 /nfs/dbraw/zinc/38/49/56/323384956.db2.gz QMMUWZLRJNAJDZ-CQSZACIVSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(OCC)c1 ZINC000393767847 323385318 /nfs/dbraw/zinc/38/53/18/323385318.db2.gz QSUSXLNAKASDNA-AWEZNQCLSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(OCC)c1 ZINC000393767849 323385254 /nfs/dbraw/zinc/38/52/54/323385254.db2.gz QSUSXLNAKASDNA-CQSZACIVSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC1CCCC1)C1CC1 ZINC000393768355 388441115 /nfs/dbraw/zinc/44/11/15/388441115.db2.gz ICIHZSZXPPQGMK-HNNXBMFYSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC1CCCC1)C1CC1 ZINC000393768357 388440815 /nfs/dbraw/zinc/44/08/15/388440815.db2.gz ICIHZSZXPPQGMK-OAHLLOKOSA-N 1 0 221.388 3.901 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(F)c(F)cc1F ZINC000393769427 387289444 /nfs/dbraw/zinc/28/94/44/387289444.db2.gz DRQKZVJRDJGRSQ-JTQLQIEISA-N 1 0 243.272 3.548 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(F)c(F)cc1F ZINC000393769430 387289064 /nfs/dbraw/zinc/28/90/64/387289064.db2.gz DRQKZVJRDJGRSQ-SNVBAGLBSA-N 1 0 243.272 3.548 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000393769765 357664601 /nfs/dbraw/zinc/66/46/01/357664601.db2.gz IWPGCTALOULOIJ-AWEZNQCLSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000393769770 357297662 /nfs/dbraw/zinc/29/76/62/357297662.db2.gz IWPGCTALOULOIJ-CQSZACIVSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000393770084 388441419 /nfs/dbraw/zinc/44/14/19/388441419.db2.gz SFCYJXDWUXUIPR-DZGCQCFKSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000393770088 388441015 /nfs/dbraw/zinc/44/10/15/388441015.db2.gz SFCYJXDWUXUIPR-HIFRSBDPSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000393770091 388441137 /nfs/dbraw/zinc/44/11/37/388441137.db2.gz SFCYJXDWUXUIPR-UKRRQHHQSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000393770094 357662785 /nfs/dbraw/zinc/66/27/85/357662785.db2.gz SFCYJXDWUXUIPR-ZFWWWQNUSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000393770161 323386861 /nfs/dbraw/zinc/38/68/61/323386861.db2.gz FHZUQPJLQWOYQQ-HNNXBMFYSA-N 1 0 247.382 3.918 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000393770164 323387417 /nfs/dbraw/zinc/38/74/17/323387417.db2.gz FHZUQPJLQWOYQQ-OAHLLOKOSA-N 1 0 247.382 3.918 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000393770963 711173433 /nfs/dbraw/zinc/17/34/33/711173433.db2.gz GBZZBOIKPSCPIV-LBPRGKRZSA-N 1 0 224.348 3.604 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2c1cccc2F ZINC000393771379 388442344 /nfs/dbraw/zinc/44/23/44/388442344.db2.gz HINPXPGJTLGZOO-ABAIWWIYSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2c1cccc2F ZINC000393771383 388441747 /nfs/dbraw/zinc/44/17/47/388441747.db2.gz HINPXPGJTLGZOO-IAQYHMDHSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2c1cccc2F ZINC000393771386 388441870 /nfs/dbraw/zinc/44/18/70/388441870.db2.gz HINPXPGJTLGZOO-NHYWBVRUSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2c1cccc2F ZINC000393771390 387295287 /nfs/dbraw/zinc/29/52/87/387295287.db2.gz HINPXPGJTLGZOO-XHDPSFHLSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000393771890 387295466 /nfs/dbraw/zinc/29/54/66/387295466.db2.gz UMHRUGUDOKDOTG-DYEKYZERSA-N 1 0 233.355 3.847 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000393771892 387294917 /nfs/dbraw/zinc/29/49/17/387294917.db2.gz UMHRUGUDOKDOTG-MBNYWOFBSA-N 1 0 233.355 3.847 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000393771894 387295455 /nfs/dbraw/zinc/29/54/55/387295455.db2.gz UMHRUGUDOKDOTG-OBJOEFQTSA-N 1 0 233.355 3.847 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000393771898 387295739 /nfs/dbraw/zinc/29/57/39/387295739.db2.gz UMHRUGUDOKDOTG-SGMGOOAPSA-N 1 0 233.355 3.847 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000393772463 388442174 /nfs/dbraw/zinc/44/21/74/388442174.db2.gz UWRGQBQGADZXGR-AWEZNQCLSA-N 1 0 217.356 3.920 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000393772469 387297346 /nfs/dbraw/zinc/29/73/46/387297346.db2.gz UWRGQBQGADZXGR-CQSZACIVSA-N 1 0 217.356 3.920 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000393772974 388442215 /nfs/dbraw/zinc/44/22/15/388442215.db2.gz VFYKKDBXFQKDPI-GXTWGEPZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000393772976 388441640 /nfs/dbraw/zinc/44/16/40/388441640.db2.gz VFYKKDBXFQKDPI-JSGCOSHPSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000393772979 388441788 /nfs/dbraw/zinc/44/17/88/388441788.db2.gz VFYKKDBXFQKDPI-OCCSQVGLSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000393772980 388441969 /nfs/dbraw/zinc/44/19/69/388441969.db2.gz VFYKKDBXFQKDPI-TZMCWYRMSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cncc2ccccc21 ZINC000393774009 711173833 /nfs/dbraw/zinc/17/38/33/711173833.db2.gz CXWYFWUYHOCOJQ-HNNXBMFYSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cncc2ccccc21 ZINC000393774011 711677718 /nfs/dbraw/zinc/67/77/18/711677718.db2.gz CXWYFWUYHOCOJQ-OAHLLOKOSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000393774385 711677736 /nfs/dbraw/zinc/67/77/36/711677736.db2.gz DBQOOBGKGOMWMS-DOMZBBRYSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000393774389 711173617 /nfs/dbraw/zinc/17/36/17/711173617.db2.gz DBQOOBGKGOMWMS-IUODEOHRSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000393774391 711173872 /nfs/dbraw/zinc/17/38/72/711173872.db2.gz DBQOOBGKGOMWMS-SWLSCSKDSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000393774394 711173760 /nfs/dbraw/zinc/17/37/60/711173760.db2.gz DBQOOBGKGOMWMS-WFASDCNBSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](CC)c1ccccc1O ZINC000393776766 711173852 /nfs/dbraw/zinc/17/38/52/711173852.db2.gz YIQDCSLBBRXFEX-GXTWGEPZSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)c1ccccc1O ZINC000393776768 711173629 /nfs/dbraw/zinc/17/36/29/711173629.db2.gz YIQDCSLBBRXFEX-JSGCOSHPSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](CC)c1ccccc1O ZINC000393776770 711173918 /nfs/dbraw/zinc/17/39/18/711173918.db2.gz YIQDCSLBBRXFEX-OCCSQVGLSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](CC)c1ccccc1O ZINC000393776772 711174103 /nfs/dbraw/zinc/17/41/03/711174103.db2.gz YIQDCSLBBRXFEX-TZMCWYRMSA-N 1 0 233.355 3.788 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000393776872 711677848 /nfs/dbraw/zinc/67/78/48/711677848.db2.gz YMXCNGDVBJWUAF-CHWSQXEVSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000393776874 710675113 /nfs/dbraw/zinc/67/51/13/710675113.db2.gz YMXCNGDVBJWUAF-OLZOCXBDSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000393776877 710675143 /nfs/dbraw/zinc/67/51/43/710675143.db2.gz YMXCNGDVBJWUAF-QWHCGFSZSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000393776879 710675521 /nfs/dbraw/zinc/67/55/21/710675521.db2.gz YMXCNGDVBJWUAF-STQMWFEESA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000393777078 711173482 /nfs/dbraw/zinc/17/34/82/711173482.db2.gz NUMORUOGCXYKPF-DOMZBBRYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000393777080 711678362 /nfs/dbraw/zinc/67/83/62/711678362.db2.gz NUMORUOGCXYKPF-IUODEOHRSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000393777082 711678360 /nfs/dbraw/zinc/67/83/60/711678360.db2.gz NUMORUOGCXYKPF-SWLSCSKDSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000393777084 711677878 /nfs/dbraw/zinc/67/78/78/711677878.db2.gz NUMORUOGCXYKPF-WFASDCNBSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)CC=C)cc1 ZINC000393777153 259481690 /nfs/dbraw/zinc/48/16/90/259481690.db2.gz NXNTUTMKGCVIBE-HNNXBMFYSA-N 1 0 245.366 3.696 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H](CC)CC=C)cc1 ZINC000393777154 387312287 /nfs/dbraw/zinc/31/22/87/387312287.db2.gz NXNTUTMKGCVIBE-OAHLLOKOSA-N 1 0 245.366 3.696 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000393778571 388442182 /nfs/dbraw/zinc/44/21/82/388442182.db2.gz OZYPIQOXTYQOKS-BBRMVZONSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000393778573 388441923 /nfs/dbraw/zinc/44/19/23/388441923.db2.gz OZYPIQOXTYQOKS-CJNGLKHVSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000393778575 259712167 /nfs/dbraw/zinc/71/21/67/259712167.db2.gz OZYPIQOXTYQOKS-CZUORRHYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000393778578 259712614 /nfs/dbraw/zinc/71/26/14/259712614.db2.gz OZYPIQOXTYQOKS-XJKSGUPXSA-N 1 0 245.366 3.627 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000393779525 711173375 /nfs/dbraw/zinc/17/33/75/711173375.db2.gz PUUNEYPCDTZFDU-CYBMUJFWSA-N 1 0 235.758 3.751 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000393779526 711173291 /nfs/dbraw/zinc/17/32/91/711173291.db2.gz PUUNEYPCDTZFDU-ZDUSSCGKSA-N 1 0 235.758 3.751 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000393779711 388442065 /nfs/dbraw/zinc/44/20/65/388442065.db2.gz AUVOLBFWWOKRSF-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1c(F)cccc1F ZINC000393779713 388441799 /nfs/dbraw/zinc/44/17/99/388441799.db2.gz AUVOLBFWWOKRSF-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000393782913 388442166 /nfs/dbraw/zinc/44/21/66/388442166.db2.gz QYRVJYZLSYARPS-AAEUAGOBSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000393782915 388442158 /nfs/dbraw/zinc/44/21/58/388442158.db2.gz QYRVJYZLSYARPS-DGCLKSJQSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000393782916 388441580 /nfs/dbraw/zinc/44/15/80/388441580.db2.gz QYRVJYZLSYARPS-WCQYABFASA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000393782918 388442085 /nfs/dbraw/zinc/44/20/85/388442085.db2.gz QYRVJYZLSYARPS-YPMHNXCESA-N 1 0 248.326 3.600 20 30 BHEDRO C=CCCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000393783120 388441652 /nfs/dbraw/zinc/44/16/52/388441652.db2.gz URGJBNJYYJAGMY-UHFFFAOYSA-N 1 0 235.758 3.885 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1coc2ccccc12 ZINC000393785438 388442206 /nfs/dbraw/zinc/44/22/06/388442206.db2.gz XEYOAQJCFVTIAA-CYBMUJFWSA-N 1 0 229.323 3.877 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1coc2ccccc12 ZINC000393785440 259490043 /nfs/dbraw/zinc/49/00/43/259490043.db2.gz XEYOAQJCFVTIAA-ZDUSSCGKSA-N 1 0 229.323 3.877 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000393788970 361699187 /nfs/dbraw/zinc/69/91/87/361699187.db2.gz XPVRXSGXMOJIMP-CABCVRRESA-N 1 0 249.785 3.752 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000393788971 262914656 /nfs/dbraw/zinc/91/46/56/262914656.db2.gz XPVRXSGXMOJIMP-GJZGRUSLSA-N 1 0 249.785 3.752 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000393788972 262914658 /nfs/dbraw/zinc/91/46/58/262914658.db2.gz XPVRXSGXMOJIMP-HUUCEWRRSA-N 1 0 249.785 3.752 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000393788975 262914654 /nfs/dbraw/zinc/91/46/54/262914654.db2.gz XPVRXSGXMOJIMP-LSDHHAIUSA-N 1 0 249.785 3.752 20 30 BHEDRO CCCC[C@H](CC)CC[NH2+][C@@H](CC)CC#N ZINC000393789650 388113931 /nfs/dbraw/zinc/11/39/31/388113931.db2.gz CWZNNQWOMBDFCU-KBPBESRZSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCC[C@@H](CC)CC[NH2+][C@@H](CC)CC#N ZINC000393789653 388114422 /nfs/dbraw/zinc/11/44/22/388114422.db2.gz CWZNNQWOMBDFCU-KGLIPLIRSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCC[C@H](CC)CC[NH2+][C@H](CC)CC#N ZINC000393789655 388114347 /nfs/dbraw/zinc/11/43/47/388114347.db2.gz CWZNNQWOMBDFCU-UONOGXRCSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCC[C@@H](CC)CC[NH2+][C@H](CC)CC#N ZINC000393789658 259506311 /nfs/dbraw/zinc/50/63/11/259506311.db2.gz CWZNNQWOMBDFCU-ZIAGYGMSSA-N 1 0 224.392 3.875 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000393791277 259430692 /nfs/dbraw/zinc/43/06/92/259430692.db2.gz ZCKOALYSDJVHCN-AAEUAGOBSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000393791284 385653952 /nfs/dbraw/zinc/65/39/52/385653952.db2.gz ZCKOALYSDJVHCN-DGCLKSJQSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000393791293 388442722 /nfs/dbraw/zinc/44/27/22/388442722.db2.gz ZCKOALYSDJVHCN-WCQYABFASA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000393791299 388442999 /nfs/dbraw/zinc/44/29/99/388442999.db2.gz ZCKOALYSDJVHCN-YPMHNXCESA-N 1 0 248.326 3.600 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000393792139 398198723 /nfs/dbraw/zinc/19/87/23/398198723.db2.gz HOWVERKWTJROCO-HNNXBMFYSA-N 1 0 247.382 3.918 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000393792144 398198844 /nfs/dbraw/zinc/19/88/44/398198844.db2.gz HOWVERKWTJROCO-OAHLLOKOSA-N 1 0 247.382 3.918 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccccc1F ZINC000393793969 385712569 /nfs/dbraw/zinc/71/25/69/385712569.db2.gz NUXSOQCKHAUNFR-GXTWGEPZSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccccc1F ZINC000393793973 385711621 /nfs/dbraw/zinc/71/16/21/385711621.db2.gz NUXSOQCKHAUNFR-JSGCOSHPSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccccc1F ZINC000393793976 259713204 /nfs/dbraw/zinc/71/32/04/259713204.db2.gz NUXSOQCKHAUNFR-OCCSQVGLSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccccc1F ZINC000393793978 388443139 /nfs/dbraw/zinc/44/31/39/388443139.db2.gz NUXSOQCKHAUNFR-TZMCWYRMSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1csc(C)c1 ZINC000393795042 388442997 /nfs/dbraw/zinc/44/29/97/388442997.db2.gz OLPOLUZOSRJPRL-GFCCVEGCSA-N 1 0 209.358 3.501 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1csc(C)c1 ZINC000393795046 259712835 /nfs/dbraw/zinc/71/28/35/259712835.db2.gz OLPOLUZOSRJPRL-LBPRGKRZSA-N 1 0 209.358 3.501 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C1CCC(CSC)CC1 ZINC000393795669 487774231 /nfs/dbraw/zinc/77/42/31/487774231.db2.gz IDTGYZQITWVZIZ-MOKVOYLWSA-N 1 0 241.444 3.853 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C1CCC(CSC)CC1 ZINC000393795670 487774378 /nfs/dbraw/zinc/77/43/78/487774378.db2.gz IDTGYZQITWVZIZ-ROKHWSDSSA-N 1 0 241.444 3.853 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(OCCC)c1 ZINC000393797006 323161677 /nfs/dbraw/zinc/16/16/77/323161677.db2.gz KGJYZDNLTLCSDP-HNNXBMFYSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(OCCC)c1 ZINC000393797010 323161730 /nfs/dbraw/zinc/16/17/30/323161730.db2.gz KGJYZDNLTLCSDP-OAHLLOKOSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(F)c1F ZINC000393798290 324208230 /nfs/dbraw/zinc/20/82/30/324208230.db2.gz LBQCBYJTPPZYRK-GHMZBOCLSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(F)c1F ZINC000393798293 388846849 /nfs/dbraw/zinc/84/68/49/388846849.db2.gz LBQCBYJTPPZYRK-MNOVXSKESA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000393798579 388345869 /nfs/dbraw/zinc/34/58/69/388345869.db2.gz LBQCBYJTPPZYRK-WDEREUQCSA-N 1 0 239.309 3.970 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCCC)cc1 ZINC000393798700 357300355 /nfs/dbraw/zinc/30/03/55/357300355.db2.gz LEBRVLFZRODMEW-HNNXBMFYSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCCC)cc1 ZINC000393798703 357299988 /nfs/dbraw/zinc/29/99/88/357299988.db2.gz LEBRVLFZRODMEW-OAHLLOKOSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccnc2ccccc12 ZINC000393799800 357299976 /nfs/dbraw/zinc/29/99/76/357299976.db2.gz RPMQCBWJJQJMMJ-AWEZNQCLSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccnc2ccccc12 ZINC000393799801 357300319 /nfs/dbraw/zinc/30/03/19/357300319.db2.gz RPMQCBWJJQJMMJ-CQSZACIVSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2cnccc2c1 ZINC000393800362 582926012 /nfs/dbraw/zinc/92/60/12/582926012.db2.gz RUDJEVBNROXKTP-INIZCTEOSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2cnccc2c1 ZINC000393800363 582925821 /nfs/dbraw/zinc/92/58/21/582925821.db2.gz RUDJEVBNROXKTP-MRXNPFEDSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C1CC1 ZINC000393802827 388443143 /nfs/dbraw/zinc/44/31/43/388443143.db2.gz UJLOUCCHIATSJJ-GXSJLCMTSA-N 1 0 235.293 3.519 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C1CC1 ZINC000393802828 388442858 /nfs/dbraw/zinc/44/28/58/388442858.db2.gz UJLOUCCHIATSJJ-KOLCDFICSA-N 1 0 235.293 3.519 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)C1CC1 ZINC000393802830 388442931 /nfs/dbraw/zinc/44/29/31/388442931.db2.gz UJLOUCCHIATSJJ-MWLCHTKSSA-N 1 0 235.293 3.519 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](C)C(F)(F)F)C1CC1 ZINC000393802832 388443188 /nfs/dbraw/zinc/44/31/88/388443188.db2.gz UJLOUCCHIATSJJ-ONGXEEELSA-N 1 0 235.293 3.519 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000393803027 388408418 /nfs/dbraw/zinc/40/84/18/388408418.db2.gz OBZGXPJOYHYSOL-DZGCQCFKSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000393803029 388410701 /nfs/dbraw/zinc/41/07/01/388410701.db2.gz OBZGXPJOYHYSOL-HIFRSBDPSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000393803031 388413764 /nfs/dbraw/zinc/41/37/64/388413764.db2.gz OBZGXPJOYHYSOL-UKRRQHHQSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000393803032 388414206 /nfs/dbraw/zinc/41/42/06/388414206.db2.gz OBZGXPJOYHYSOL-ZFWWWQNUSA-N 1 0 247.382 3.571 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000393805171 259387761 /nfs/dbraw/zinc/38/77/61/259387761.db2.gz PSYBNJKNGZDDJE-CVEARBPZSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000393805176 388443191 /nfs/dbraw/zinc/44/31/91/388443191.db2.gz PSYBNJKNGZDDJE-HOTGVXAUSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](CC)Cc1ccccc1 ZINC000393805181 388442976 /nfs/dbraw/zinc/44/29/76/388442976.db2.gz PSYBNJKNGZDDJE-HZPDHXFCSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](CC)Cc1ccccc1 ZINC000393805193 259387708 /nfs/dbraw/zinc/38/77/08/259387708.db2.gz PSYBNJKNGZDDJE-JKSUJKDBSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000393805862 388442689 /nfs/dbraw/zinc/44/26/89/388442689.db2.gz WNSSLRLSBOEQFE-DOMZBBRYSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000393805865 388442770 /nfs/dbraw/zinc/44/27/70/388442770.db2.gz WNSSLRLSBOEQFE-IUODEOHRSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000393805868 388442933 /nfs/dbraw/zinc/44/29/33/388442933.db2.gz WNSSLRLSBOEQFE-SWLSCSKDSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000393805871 259712958 /nfs/dbraw/zinc/71/29/58/259712958.db2.gz WNSSLRLSBOEQFE-WFASDCNBSA-N 1 0 235.346 3.701 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000393807581 259388023 /nfs/dbraw/zinc/38/80/23/259388023.db2.gz RBHLUCIWJIFHAS-JTQLQIEISA-N 1 0 243.272 3.548 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000393807584 259388301 /nfs/dbraw/zinc/38/83/01/259388301.db2.gz RBHLUCIWJIFHAS-SNVBAGLBSA-N 1 0 243.272 3.548 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCc1ccccc1 ZINC000393810113 259713219 /nfs/dbraw/zinc/71/32/19/259713219.db2.gz TUHLGBRWBUTDTL-GDBMZVCRSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCc1ccccc1 ZINC000393810114 259713148 /nfs/dbraw/zinc/71/31/48/259713148.db2.gz TUHLGBRWBUTDTL-GOEBONIOSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCc1ccccc1 ZINC000393810115 388442970 /nfs/dbraw/zinc/44/29/70/388442970.db2.gz TUHLGBRWBUTDTL-HOCLYGCPSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCc1ccccc1 ZINC000393810116 388442872 /nfs/dbraw/zinc/44/28/72/388442872.db2.gz TUHLGBRWBUTDTL-ZBFHGGJFSA-N 1 0 231.383 3.952 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ccc(C)o1 ZINC000393818637 711176227 /nfs/dbraw/zinc/17/62/27/711176227.db2.gz OPANOWOAIQJNAW-UHFFFAOYSA-N 1 0 221.344 3.814 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1c(F)cccc1F ZINC000393828244 357301988 /nfs/dbraw/zinc/30/19/88/357301988.db2.gz HJACEQNPFLWAEA-LLVKDONJSA-N 1 0 239.309 3.972 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000393828246 357302304 /nfs/dbraw/zinc/30/23/04/357302304.db2.gz HJACEQNPFLWAEA-NSHDSACASA-N 1 0 239.309 3.972 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cnc2ccccc2c1 ZINC000393847490 710810316 /nfs/dbraw/zinc/81/03/16/710810316.db2.gz HCMASWRBRWEFJD-HNNXBMFYSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc2ccccc2c1 ZINC000393847491 710811465 /nfs/dbraw/zinc/81/14/65/710811465.db2.gz HCMASWRBRWEFJD-OAHLLOKOSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000393907045 357306324 /nfs/dbraw/zinc/30/63/24/357306324.db2.gz IKCFGTDHFAVCEJ-JTQLQIEISA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000393907047 357306118 /nfs/dbraw/zinc/30/61/18/357306118.db2.gz IKCFGTDHFAVCEJ-SNVBAGLBSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C1(C(C)C)CC1 ZINC000393907939 357307082 /nfs/dbraw/zinc/30/70/82/357307082.db2.gz PJLUIZFZZLKYSK-CYBMUJFWSA-N 1 0 209.377 3.900 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C1(C(C)C)CC1 ZINC000393907940 357307193 /nfs/dbraw/zinc/30/71/93/357307193.db2.gz PJLUIZFZZLKYSK-ZDUSSCGKSA-N 1 0 209.377 3.900 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000393910977 711178221 /nfs/dbraw/zinc/17/82/21/711178221.db2.gz BXZXITGACDQVHH-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000393910982 711178403 /nfs/dbraw/zinc/17/84/03/711178403.db2.gz BXZXITGACDQVHH-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000393910987 711177998 /nfs/dbraw/zinc/17/79/98/711177998.db2.gz BXZXITGACDQVHH-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000393910991 711178688 /nfs/dbraw/zinc/17/86/88/711178688.db2.gz BXZXITGACDQVHH-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CC1(CC)COC1 ZINC000393968458 711180711 /nfs/dbraw/zinc/18/07/11/711180711.db2.gz VIUKJCKECVZYPU-AWEZNQCLSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CC1(CC)COC1 ZINC000393968459 711680790 /nfs/dbraw/zinc/68/07/90/711680790.db2.gz VIUKJCKECVZYPU-CQSZACIVSA-N 1 0 241.419 3.752 20 30 BHEDRO C=CCCCCCCNC(=[NH2+])Nc1ccccc1 ZINC000393971938 711180407 /nfs/dbraw/zinc/18/04/07/711180407.db2.gz ARUQYADSANPQMT-UHFFFAOYSA-N 1 0 245.370 3.759 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(COC)cc1 ZINC000394045004 388450244 /nfs/dbraw/zinc/45/02/44/388450244.db2.gz ADBHJDAYTRRIRZ-UHFFFAOYSA-N 1 0 247.382 3.525 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000394045465 711183203 /nfs/dbraw/zinc/18/32/03/711183203.db2.gz IMGRHJFEOBAPLK-AWEZNQCLSA-N 1 0 246.398 3.760 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000394045467 711183230 /nfs/dbraw/zinc/18/32/30/711183230.db2.gz IMGRHJFEOBAPLK-CQSZACIVSA-N 1 0 246.398 3.760 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(COC)c1 ZINC000394055020 388449846 /nfs/dbraw/zinc/44/98/46/388449846.db2.gz ATGJWWLMKCJNFQ-UHFFFAOYSA-N 1 0 247.382 3.525 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(CC)s1 ZINC000394464804 259358151 /nfs/dbraw/zinc/35/81/51/259358151.db2.gz KNISILTUYAPXTD-LLVKDONJSA-N 1 0 223.385 3.927 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000394464805 259358132 /nfs/dbraw/zinc/35/81/32/259358132.db2.gz KNISILTUYAPXTD-NSHDSACASA-N 1 0 223.385 3.927 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1cscn1 ZINC000394473443 711687741 /nfs/dbraw/zinc/68/77/41/711687741.db2.gz ZDRIIMUGGUNBMD-LLVKDONJSA-N 1 0 226.389 3.764 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ccnn1C(C)C ZINC000394583342 711195695 /nfs/dbraw/zinc/19/56/95/711195695.db2.gz CUKVDQMLZSGGMG-UHFFFAOYSA-N 1 0 249.402 3.690 20 30 BHEDRO C=CCCOCC[NH2+]CCC1CCCCCC1 ZINC000394598743 357367823 /nfs/dbraw/zinc/36/78/23/357367823.db2.gz ZGPPNSLHXFLUIA-UHFFFAOYSA-N 1 0 239.403 3.529 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1ncc(C)s1 ZINC000394734212 711690081 /nfs/dbraw/zinc/69/00/81/711690081.db2.gz QBZHLLCUXFEYQW-UHFFFAOYSA-N 1 0 238.400 3.678 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394735400 323096465 /nfs/dbraw/zinc/09/64/65/323096465.db2.gz NJAIMRSSHOQOIA-CYBMUJFWSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCCC12CCC2 ZINC000394735403 323096497 /nfs/dbraw/zinc/09/64/97/323096497.db2.gz NJAIMRSSHOQOIA-ZDUSSCGKSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCC12CCC2 ZINC000394848644 262750369 /nfs/dbraw/zinc/75/03/69/262750369.db2.gz DMVYQMJTPWNLMT-GFCCVEGCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCCC12CCC2 ZINC000394848647 385773751 /nfs/dbraw/zinc/77/37/51/385773751.db2.gz DMVYQMJTPWNLMT-LBPRGKRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCOCC[NH2+]CCCC1CCCCC1 ZINC000395179599 344119710 /nfs/dbraw/zinc/11/97/10/344119710.db2.gz DLQNCZARJJVDFS-UHFFFAOYSA-N 1 0 239.403 3.529 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000395182965 344119319 /nfs/dbraw/zinc/11/93/19/344119319.db2.gz OXSGAQWSFHAGST-UHFFFAOYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]C1CC(C)(C)C1 ZINC000395186591 386969921 /nfs/dbraw/zinc/96/99/21/386969921.db2.gz SOKPNPFNEALMIR-UHFFFAOYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000395268399 386803832 /nfs/dbraw/zinc/80/38/32/386803832.db2.gz KGXGOIBQJAWAAR-HNNXBMFYSA-N 1 0 215.340 3.538 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000395268401 386803237 /nfs/dbraw/zinc/80/32/37/386803237.db2.gz KGXGOIBQJAWAAR-OAHLLOKOSA-N 1 0 215.340 3.538 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000395287426 262785945 /nfs/dbraw/zinc/78/59/45/262785945.db2.gz CZKGJEHPXOWFFO-JTQLQIEISA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000395287427 386806501 /nfs/dbraw/zinc/80/65/01/386806501.db2.gz CZKGJEHPXOWFFO-SNVBAGLBSA-N 1 0 225.282 3.582 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000395307838 386810394 /nfs/dbraw/zinc/81/03/94/386810394.db2.gz YJNYEYBRAIXDHF-AWEZNQCLSA-N 1 0 221.319 3.833 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1cccc(F)c1 ZINC000395307842 386810884 /nfs/dbraw/zinc/81/08/84/386810884.db2.gz YJNYEYBRAIXDHF-CQSZACIVSA-N 1 0 221.319 3.833 20 30 BHEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000395322789 383860407 /nfs/dbraw/zinc/86/04/07/383860407.db2.gz NBBGOJMGYYEEGG-APHBMKBZSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000395322791 383859235 /nfs/dbraw/zinc/85/92/35/383859235.db2.gz NBBGOJMGYYEEGG-DAXOMENPSA-N 1 0 242.366 3.643 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(OCCC)cc1 ZINC000395331861 356146097 /nfs/dbraw/zinc/14/60/97/356146097.db2.gz RNQJSSCCTQVUMZ-UHFFFAOYSA-N 1 0 233.355 3.531 20 30 BHEDRO C=CC(C)(C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000395394213 323225620 /nfs/dbraw/zinc/22/56/20/323225620.db2.gz QEYCSYGDBXDMJB-CYBMUJFWSA-N 1 0 217.356 3.592 20 30 BHEDRO C=CC(C)(C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000395394214 323225595 /nfs/dbraw/zinc/22/55/95/323225595.db2.gz QEYCSYGDBXDMJB-ZDUSSCGKSA-N 1 0 217.356 3.592 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000395396170 323225574 /nfs/dbraw/zinc/22/55/74/323225574.db2.gz RAVDHOOHEKYXGJ-LLVKDONJSA-N 1 0 221.319 3.689 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000395396171 323225415 /nfs/dbraw/zinc/22/54/15/323225415.db2.gz RAVDHOOHEKYXGJ-NSHDSACASA-N 1 0 221.319 3.689 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(Cl)cc1F ZINC000395415132 262787499 /nfs/dbraw/zinc/78/74/99/262787499.db2.gz JNSWMPYFWSBMCU-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000395448737 386837631 /nfs/dbraw/zinc/83/76/31/386837631.db2.gz YWZZKALUMFKGLA-UHFFFAOYSA-N 1 0 227.710 3.535 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)C1CC(C)(C)C1 ZINC000395472423 323227500 /nfs/dbraw/zinc/22/75/00/323227500.db2.gz KUZUROMZQUMNAN-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000395633396 323234160 /nfs/dbraw/zinc/23/41/60/323234160.db2.gz FEBYYUWPKYGBDG-UHFFFAOYSA-N 1 0 240.350 3.599 20 30 BHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CCCC1 ZINC000395643323 323234532 /nfs/dbraw/zinc/23/45/32/323234532.db2.gz BKSABQMGJKFQOF-INIZCTEOSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CCCC1 ZINC000395643328 323234697 /nfs/dbraw/zinc/23/46/97/323234697.db2.gz BKSABQMGJKFQOF-MRXNPFEDSA-N 1 0 242.366 3.617 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccsc1 ZINC000395739809 323240284 /nfs/dbraw/zinc/24/02/84/323240284.db2.gz TYKIMLXTVLWPTC-GFCCVEGCSA-N 1 0 209.358 3.755 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccsc1 ZINC000395739810 323240110 /nfs/dbraw/zinc/24/01/10/323240110.db2.gz TYKIMLXTVLWPTC-LBPRGKRZSA-N 1 0 209.358 3.755 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1ccc(C)nn1 ZINC000396582571 711356688 /nfs/dbraw/zinc/35/66/88/711356688.db2.gz STMGXRKBFJITNV-UHFFFAOYSA-N 1 0 249.402 3.625 20 30 BHEDRO CC(C)C[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000396905235 387512131 /nfs/dbraw/zinc/51/21/31/387512131.db2.gz FBBXKSHOBRHOBU-AWEZNQCLSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)C[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000396905236 517432547 /nfs/dbraw/zinc/43/25/47/517432547.db2.gz FBBXKSHOBRHOBU-CQSZACIVSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396913242 387512896 /nfs/dbraw/zinc/51/28/96/387512896.db2.gz JLJIJLGLHCPDPM-NXEZZACHSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396913244 262826621 /nfs/dbraw/zinc/82/66/21/262826621.db2.gz JLJIJLGLHCPDPM-UWVGGRQHSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000396913245 387513179 /nfs/dbraw/zinc/51/31/79/387513179.db2.gz JLJIJLGLHCPDPM-VHSXEESVSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000396913247 387513462 /nfs/dbraw/zinc/51/34/62/387513462.db2.gz JLJIJLGLHCPDPM-ZJUUUORDSA-N 1 0 223.282 3.519 20 30 BHEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000396930798 385866523 /nfs/dbraw/zinc/86/65/23/385866523.db2.gz XQRYLNHSJIBRDL-INIZCTEOSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000396930803 385866900 /nfs/dbraw/zinc/86/69/00/385866900.db2.gz XQRYLNHSJIBRDL-MRXNPFEDSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000396930867 385867162 /nfs/dbraw/zinc/86/71/62/385867162.db2.gz XXKTWXHGXUYAER-INIZCTEOSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000396930868 385866704 /nfs/dbraw/zinc/86/67/04/385866704.db2.gz XXKTWXHGXUYAER-MRXNPFEDSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000396932636 385867134 /nfs/dbraw/zinc/86/71/34/385867134.db2.gz YVUDAOOUNBJNFT-INIZCTEOSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000396932640 262828465 /nfs/dbraw/zinc/82/84/65/262828465.db2.gz YVUDAOOUNBJNFT-MRXNPFEDSA-N 1 0 242.366 3.569 20 30 BHEDRO CCCCCCC[NH+]1CCC(CC#N)CC1 ZINC000397138517 711377988 /nfs/dbraw/zinc/37/79/88/711377988.db2.gz ZLIHSDWZWXREMF-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO N#CCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC000397162872 350113268 /nfs/dbraw/zinc/11/32/68/350113268.db2.gz XABRIIMDGBWIAM-UHFFFAOYSA-N 1 0 232.371 3.503 20 30 BHEDRO CCCC[C@H](CC)C[NH+]1CCC(CC#N)CC1 ZINC000397171230 357508292 /nfs/dbraw/zinc/50/82/92/357508292.db2.gz DZWWFIDBHDBCKZ-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO CCCC[C@@H](CC)C[NH+]1CCC(CC#N)CC1 ZINC000397171231 357508394 /nfs/dbraw/zinc/50/83/94/357508394.db2.gz DZWWFIDBHDBCKZ-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CCCCCCCC[NH+]1CCC(CC#N)CC1 ZINC000397171300 711705216 /nfs/dbraw/zinc/70/52/16/711705216.db2.gz FBNLMLSTISQMFC-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO C[C@@H](C[NH+]1CCC(CC#N)CC1)C1CCCCC1 ZINC000397188522 350129441 /nfs/dbraw/zinc/12/94/41/350129441.db2.gz NSAYXBCOAGXZSU-AWEZNQCLSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H](C[NH+]1CCC(CC#N)CC1)C1CCCCC1 ZINC000397188523 350129358 /nfs/dbraw/zinc/12/93/58/350129358.db2.gz NSAYXBCOAGXZSU-CQSZACIVSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC(C[NH+]2CCC(CC#N)CC2)CC1 ZINC000397204746 357507059 /nfs/dbraw/zinc/50/70/59/357507059.db2.gz YLJBMBXERZUCFU-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397578013 711388031 /nfs/dbraw/zinc/38/80/31/711388031.db2.gz DYLGIZCNOYTYIC-CQSZACIVSA-N 1 0 222.376 3.582 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000397611504 385699908 /nfs/dbraw/zinc/69/99/08/385699908.db2.gz OABKUIRSSROWDT-HUBLWGQQSA-N 1 0 242.366 3.643 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000397611505 385699652 /nfs/dbraw/zinc/69/96/52/385699652.db2.gz OABKUIRSSROWDT-SLEUVZQESA-N 1 0 242.366 3.643 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000397611506 385699660 /nfs/dbraw/zinc/69/96/60/385699660.db2.gz OABKUIRSSROWDT-YWPYICTPSA-N 1 0 242.366 3.643 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000397611507 385700570 /nfs/dbraw/zinc/70/05/70/385700570.db2.gz OABKUIRSSROWDT-ZOWXZIJZSA-N 1 0 242.366 3.643 20 30 BHEDRO CC1(C)CCC(C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000397649759 350957245 /nfs/dbraw/zinc/95/72/45/350957245.db2.gz LOWKXWMRCROHDC-AWEZNQCLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC(C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000397649760 350957901 /nfs/dbraw/zinc/95/79/01/350957901.db2.gz LOWKXWMRCROHDC-CQSZACIVSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C1CCCCC1 ZINC000397697611 385706036 /nfs/dbraw/zinc/70/60/36/385706036.db2.gz ZNMANZWDUBTISB-CABCVRRESA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C1CCCCC1 ZINC000397697613 385704835 /nfs/dbraw/zinc/70/48/35/385704835.db2.gz ZNMANZWDUBTISB-GJZGRUSLSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)C1CCCCC1 ZINC000397697615 385705524 /nfs/dbraw/zinc/70/55/24/385705524.db2.gz ZNMANZWDUBTISB-HUUCEWRRSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H](C[N@@H+]1CCC[C@H](CC#N)C1)C1CCCCC1 ZINC000397697618 385706012 /nfs/dbraw/zinc/70/60/12/385706012.db2.gz ZNMANZWDUBTISB-LSDHHAIUSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]CCC=C(C)C ZINC000397708750 262930421 /nfs/dbraw/zinc/93/04/21/262930421.db2.gz OCSHPCAUUDLFGP-UHFFFAOYSA-N 1 0 245.366 3.697 20 30 BHEDRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397714876 350965294 /nfs/dbraw/zinc/96/52/94/350965294.db2.gz QHBYSBQZGXLOON-CABCVRRESA-N 1 0 236.403 3.828 20 30 BHEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397714888 350965286 /nfs/dbraw/zinc/96/52/86/350965286.db2.gz QHBYSBQZGXLOON-GJZGRUSLSA-N 1 0 236.403 3.828 20 30 BHEDRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397714902 350965321 /nfs/dbraw/zinc/96/53/21/350965321.db2.gz QHBYSBQZGXLOON-HUUCEWRRSA-N 1 0 236.403 3.828 20 30 BHEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397714917 350965266 /nfs/dbraw/zinc/96/52/66/350965266.db2.gz QHBYSBQZGXLOON-LSDHHAIUSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCOc1ccc(C[NH2+]CCC=C(C)C)cc1 ZINC000397718514 323090473 /nfs/dbraw/zinc/09/04/73/323090473.db2.gz UNYIIVQUEWCLPV-UHFFFAOYSA-N 1 0 245.366 3.697 20 30 BHEDRO N#CC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC000397741264 350969937 /nfs/dbraw/zinc/96/99/37/350969937.db2.gz HOXYUYLKNOQPOQ-HNNXBMFYSA-N 1 0 232.371 3.503 20 30 BHEDRO N#CC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC000397741267 350969797 /nfs/dbraw/zinc/96/97/97/350969797.db2.gz HOXYUYLKNOQPOQ-OAHLLOKOSA-N 1 0 232.371 3.503 20 30 BHEDRO C=C(C[NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000397799156 388500397 /nfs/dbraw/zinc/50/03/97/388500397.db2.gz RBQBBXBNOLAFDV-DZGCQCFKSA-N 1 0 229.367 3.724 20 30 BHEDRO C=C(C[NH2+][C@H](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000397799165 388500639 /nfs/dbraw/zinc/50/06/39/388500639.db2.gz RBQBBXBNOLAFDV-HIFRSBDPSA-N 1 0 229.367 3.724 20 30 BHEDRO C=C(C[NH2+][C@H](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000397799174 388500671 /nfs/dbraw/zinc/50/06/71/388500671.db2.gz RBQBBXBNOLAFDV-UKRRQHHQSA-N 1 0 229.367 3.724 20 30 BHEDRO C=C(C[NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000397799186 388500567 /nfs/dbraw/zinc/50/05/67/388500567.db2.gz RBQBBXBNOLAFDV-ZFWWWQNUSA-N 1 0 229.367 3.724 20 30 BHEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000397810226 350977104 /nfs/dbraw/zinc/97/71/04/350977104.db2.gz ODLXVESYBHAXGP-CABCVRRESA-N 1 0 232.371 3.501 20 30 BHEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000397810228 350977299 /nfs/dbraw/zinc/97/72/99/350977299.db2.gz ODLXVESYBHAXGP-GJZGRUSLSA-N 1 0 232.371 3.501 20 30 BHEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000397810231 350977081 /nfs/dbraw/zinc/97/70/81/350977081.db2.gz ODLXVESYBHAXGP-HUUCEWRRSA-N 1 0 232.371 3.501 20 30 BHEDRO N#CC[C@@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000397810233 350977254 /nfs/dbraw/zinc/97/72/54/350977254.db2.gz ODLXVESYBHAXGP-LSDHHAIUSA-N 1 0 232.371 3.501 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]CC1=CCOCC1 ZINC000397814723 711392621 /nfs/dbraw/zinc/39/26/21/711392621.db2.gz FBKNWLGBEMFRFH-AWEZNQCLSA-N 1 0 239.403 3.672 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]CC1=CCOCC1 ZINC000397814726 711392998 /nfs/dbraw/zinc/39/29/98/711392998.db2.gz FBKNWLGBEMFRFH-CQSZACIVSA-N 1 0 239.403 3.672 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC000397853627 711394245 /nfs/dbraw/zinc/39/42/45/711394245.db2.gz AIBHIOFJFZAXQK-GFCCVEGCSA-N 1 0 238.375 3.822 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC000397853628 711393888 /nfs/dbraw/zinc/39/38/88/711393888.db2.gz AIBHIOFJFZAXQK-LBPRGKRZSA-N 1 0 238.375 3.822 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1conc1C ZINC000397885993 711395873 /nfs/dbraw/zinc/39/58/73/711395873.db2.gz JAOQCPXKBVOKDG-UHFFFAOYSA-N 1 0 238.375 3.823 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1cnc(C)o1 ZINC000398069068 711400918 /nfs/dbraw/zinc/40/09/18/711400918.db2.gz NCGFQVKVMQKJIH-UHFFFAOYSA-N 1 0 238.375 3.823 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000398069773 324216614 /nfs/dbraw/zinc/21/66/14/324216614.db2.gz LMUAEQCVRZVTFQ-CRWXNKLISA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000398069774 324217019 /nfs/dbraw/zinc/21/70/19/324217019.db2.gz LMUAEQCVRZVTFQ-MQYQWHSLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000398069776 324216940 /nfs/dbraw/zinc/21/69/40/324216940.db2.gz LMUAEQCVRZVTFQ-RFQIPJPRSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000398069778 324216970 /nfs/dbraw/zinc/21/69/70/324216970.db2.gz LMUAEQCVRZVTFQ-YIYPIFLZSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000398090061 357836002 /nfs/dbraw/zinc/83/60/02/357836002.db2.gz XGXLCQFZBSZQIA-CHWSQXEVSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000398090065 357835741 /nfs/dbraw/zinc/83/57/41/357835741.db2.gz XGXLCQFZBSZQIA-OLZOCXBDSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000398090070 357835676 /nfs/dbraw/zinc/83/56/76/357835676.db2.gz XGXLCQFZBSZQIA-QWHCGFSZSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000398090074 357836073 /nfs/dbraw/zinc/83/60/73/357836073.db2.gz XGXLCQFZBSZQIA-STQMWFEESA-N 1 0 239.403 3.667 20 30 BHEDRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000398108814 322864605 /nfs/dbraw/zinc/86/46/05/322864605.db2.gz XEFGPFBSOMVWLU-CHWSQXEVSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000398108819 322864609 /nfs/dbraw/zinc/86/46/09/322864609.db2.gz XEFGPFBSOMVWLU-OLZOCXBDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(C#N)cc1 ZINC000398108821 385736495 /nfs/dbraw/zinc/73/64/95/385736495.db2.gz XEFGPFBSOMVWLU-QWHCGFSZSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000398108823 385738395 /nfs/dbraw/zinc/73/83/95/385738395.db2.gz XEFGPFBSOMVWLU-STQMWFEESA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000398110600 385736863 /nfs/dbraw/zinc/73/68/63/385736863.db2.gz YIWRKXZSIFIUBO-CHWSQXEVSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000398110604 385736951 /nfs/dbraw/zinc/73/69/51/385736951.db2.gz YIWRKXZSIFIUBO-OLZOCXBDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cccc(C#N)c1 ZINC000398110607 385737722 /nfs/dbraw/zinc/73/77/22/385737722.db2.gz YIWRKXZSIFIUBO-QWHCGFSZSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000398110610 385738138 /nfs/dbraw/zinc/73/81/38/385738138.db2.gz YIWRKXZSIFIUBO-STQMWFEESA-N 1 0 242.366 3.788 20 30 BHEDRO C=C(C[NH2+][C@@H](C)CCC1CC1)c1ccccc1 ZINC000398129004 322865143 /nfs/dbraw/zinc/86/51/43/322865143.db2.gz DOFVDHGVXNIVMP-AWEZNQCLSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@H](C)CCC1CC1)c1ccccc1 ZINC000398129007 384811845 /nfs/dbraw/zinc/81/18/45/384811845.db2.gz DOFVDHGVXNIVMP-CQSZACIVSA-N 1 0 229.367 3.868 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000398131825 357847532 /nfs/dbraw/zinc/84/75/32/357847532.db2.gz WCDFFDHVXMDULZ-AWEZNQCLSA-N 1 0 247.382 3.843 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000398131827 357847824 /nfs/dbraw/zinc/84/78/24/357847824.db2.gz WCDFFDHVXMDULZ-CQSZACIVSA-N 1 0 247.382 3.843 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000398132406 322865350 /nfs/dbraw/zinc/86/53/50/322865350.db2.gz WHJCUAOGGQQCDN-KBPBESRZSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000398132407 322865323 /nfs/dbraw/zinc/86/53/23/322865323.db2.gz WHJCUAOGGQQCDN-KGLIPLIRSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000398132408 322865268 /nfs/dbraw/zinc/86/52/68/322865268.db2.gz WHJCUAOGGQQCDN-UONOGXRCSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000398132409 322865202 /nfs/dbraw/zinc/86/52/02/322865202.db2.gz WHJCUAOGGQQCDN-ZIAGYGMSSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000398138154 262943486 /nfs/dbraw/zinc/94/34/86/262943486.db2.gz YLHZBXLRRMIELO-GXTWGEPZSA-N 1 0 233.355 3.991 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000398138156 388517129 /nfs/dbraw/zinc/51/71/29/388517129.db2.gz YLHZBXLRRMIELO-JSGCOSHPSA-N 1 0 233.355 3.991 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000398138158 388516410 /nfs/dbraw/zinc/51/64/10/388516410.db2.gz YLHZBXLRRMIELO-OCCSQVGLSA-N 1 0 233.355 3.991 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000398138160 384819780 /nfs/dbraw/zinc/81/97/80/384819780.db2.gz YLHZBXLRRMIELO-TZMCWYRMSA-N 1 0 233.355 3.991 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000398152427 357851045 /nfs/dbraw/zinc/85/10/45/357851045.db2.gz GZKACCPPCHITAL-GFCCVEGCSA-N 1 0 246.329 3.532 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000398152428 357850484 /nfs/dbraw/zinc/85/04/84/357850484.db2.gz GZKACCPPCHITAL-LBPRGKRZSA-N 1 0 246.329 3.532 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000398190084 583124010 /nfs/dbraw/zinc/12/40/10/583124010.db2.gz RDKOEUILFITPTD-DZGCQCFKSA-N 1 0 244.382 3.793 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000398190088 583123839 /nfs/dbraw/zinc/12/38/39/583123839.db2.gz RDKOEUILFITPTD-HIFRSBDPSA-N 1 0 244.382 3.793 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000398190091 583123798 /nfs/dbraw/zinc/12/37/98/583123798.db2.gz RDKOEUILFITPTD-UKRRQHHQSA-N 1 0 244.382 3.793 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000398190094 583123817 /nfs/dbraw/zinc/12/38/17/583123817.db2.gz RDKOEUILFITPTD-ZFWWWQNUSA-N 1 0 244.382 3.793 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000398191025 322865918 /nfs/dbraw/zinc/86/59/18/322865918.db2.gz RLRHEVHZIGKWAR-DOMZBBRYSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000398191028 322865839 /nfs/dbraw/zinc/86/58/39/322865839.db2.gz RLRHEVHZIGKWAR-IUODEOHRSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000398191031 322865990 /nfs/dbraw/zinc/86/59/90/322865990.db2.gz RLRHEVHZIGKWAR-SWLSCSKDSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000398191035 322865869 /nfs/dbraw/zinc/86/58/69/322865869.db2.gz RLRHEVHZIGKWAR-WFASDCNBSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000398193830 711404611 /nfs/dbraw/zinc/40/46/11/711404611.db2.gz SKMHOYNYXMPTFN-GXTWGEPZSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000398193832 711403962 /nfs/dbraw/zinc/40/39/62/711403962.db2.gz SKMHOYNYXMPTFN-JSGCOSHPSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000398193834 711404462 /nfs/dbraw/zinc/40/44/62/711404462.db2.gz SKMHOYNYXMPTFN-OCCSQVGLSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000398193836 711404455 /nfs/dbraw/zinc/40/44/55/711404455.db2.gz SKMHOYNYXMPTFN-TZMCWYRMSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC000398228098 711709389 /nfs/dbraw/zinc/70/93/89/711709389.db2.gz RAAAKYOVGPTIMC-JTQLQIEISA-N 1 0 238.400 3.594 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC000398228099 711405689 /nfs/dbraw/zinc/40/56/89/711405689.db2.gz RAAAKYOVGPTIMC-SNVBAGLBSA-N 1 0 238.400 3.594 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC000398239382 411401145 /nfs/dbraw/zinc/40/11/45/411401145.db2.gz XYVWMKDPPCAMHB-LLVKDONJSA-N 1 0 238.762 3.569 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000398239383 411401540 /nfs/dbraw/zinc/40/15/40/411401540.db2.gz XYVWMKDPPCAMHB-NSHDSACASA-N 1 0 238.762 3.569 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)c1csnn1 ZINC000398239551 711405736 /nfs/dbraw/zinc/40/57/36/711405736.db2.gz CKDISUZZIKZOJV-LLVKDONJSA-N 1 0 241.404 3.549 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)c1csnn1 ZINC000398239552 711405461 /nfs/dbraw/zinc/40/54/61/711405461.db2.gz CKDISUZZIKZOJV-NSHDSACASA-N 1 0 241.404 3.549 20 30 BHEDRO CCCC[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000398988366 357892515 /nfs/dbraw/zinc/89/25/15/357892515.db2.gz IRPGPJUZJCWZOE-UHFFFAOYSA-N 1 0 242.366 3.517 20 30 BHEDRO N#CCc1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000398993751 711417241 /nfs/dbraw/zinc/41/72/41/711417241.db2.gz NCAPNQONOPUPPE-UHFFFAOYSA-N 1 0 242.366 3.519 20 30 BHEDRO CCCCC[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399000954 711416917 /nfs/dbraw/zinc/41/69/17/711416917.db2.gz CASCQJMUPKQNRB-AWEZNQCLSA-N 1 0 244.382 3.811 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399000956 711417620 /nfs/dbraw/zinc/41/76/20/711417620.db2.gz CASCQJMUPKQNRB-CQSZACIVSA-N 1 0 244.382 3.811 20 30 BHEDRO C[C@H](C[NH2+]Cc1ccc(CC#N)cc1)C(C)(C)C ZINC000399014719 355821450 /nfs/dbraw/zinc/82/14/50/355821450.db2.gz CSBYDCSZXZXINF-CYBMUJFWSA-N 1 0 244.382 3.524 20 30 BHEDRO C[C@@H](C[NH2+]Cc1ccc(CC#N)cc1)C(C)(C)C ZINC000399014720 353587843 /nfs/dbraw/zinc/58/78/43/353587843.db2.gz CSBYDCSZXZXINF-ZDUSSCGKSA-N 1 0 244.382 3.524 20 30 BHEDRO C[C@@H]([N@H+](C)Cc1ccc(CC#N)cc1)C(C)(C)C ZINC000399022400 357894097 /nfs/dbraw/zinc/89/40/97/357894097.db2.gz FTNALMFSDMLWNI-CYBMUJFWSA-N 1 0 244.382 3.619 20 30 BHEDRO C[C@H]([N@H+](C)Cc1ccc(CC#N)cc1)C(C)(C)C ZINC000399022401 357893405 /nfs/dbraw/zinc/89/34/05/357893405.db2.gz FTNALMFSDMLWNI-ZDUSSCGKSA-N 1 0 244.382 3.619 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000399069515 357895281 /nfs/dbraw/zinc/89/52/81/357895281.db2.gz NKNMRCDLKMCLSD-AWEZNQCLSA-N 1 0 244.382 3.763 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000399069518 357894572 /nfs/dbraw/zinc/89/45/72/357894572.db2.gz NKNMRCDLKMCLSD-CQSZACIVSA-N 1 0 244.382 3.763 20 30 BHEDRO N#CCc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000399069534 387053327 /nfs/dbraw/zinc/05/33/27/387053327.db2.gz LKJJNCAIGAUSBH-UHFFFAOYSA-N 1 0 242.366 3.565 20 30 BHEDRO CC(C)C[N@H+](Cc1ccc(CC#N)cc1)C(C)C ZINC000399075459 357894941 /nfs/dbraw/zinc/89/49/41/357894941.db2.gz PMELMKKPFUDOCD-UHFFFAOYSA-N 1 0 244.382 3.619 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(CC#N)cc1 ZINC000399092084 357896129 /nfs/dbraw/zinc/89/61/29/357896129.db2.gz WXSVQZNBRIDFFU-AWEZNQCLSA-N 1 0 244.382 3.621 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(CC#N)cc1 ZINC000399092085 357895993 /nfs/dbraw/zinc/89/59/93/357895993.db2.gz WXSVQZNBRIDFFU-CQSZACIVSA-N 1 0 244.382 3.621 20 30 BHEDRO CC[N@H+](Cc1ccc(CC#N)cc1)CC(C)(C)C ZINC000399093716 323196852 /nfs/dbraw/zinc/19/68/52/323196852.db2.gz XNGKIWINKBVRCU-UHFFFAOYSA-N 1 0 244.382 3.621 20 30 BHEDRO CCC[N@@H+](Cc1ccc(CC#N)cc1)CC(C)C ZINC000399099177 357895899 /nfs/dbraw/zinc/89/58/99/357895899.db2.gz ZPPYKIRSKYJYHV-UHFFFAOYSA-N 1 0 244.382 3.621 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399122336 357896718 /nfs/dbraw/zinc/89/67/18/357896718.db2.gz IHUHVQRUKSKKTN-UHFFFAOYSA-N 1 0 244.382 3.811 20 30 BHEDRO CCC1([NH2+]Cc2ccc(CC#N)cc2)CCCC1 ZINC000399138423 262776852 /nfs/dbraw/zinc/77/68/52/262776852.db2.gz SQUSULHNZFZKBV-UHFFFAOYSA-N 1 0 242.366 3.565 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399141771 357896726 /nfs/dbraw/zinc/89/67/26/357896726.db2.gz VKGRNNGINLGNDX-AWEZNQCLSA-N 1 0 244.382 3.667 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399141774 357896749 /nfs/dbraw/zinc/89/67/49/357896749.db2.gz VKGRNNGINLGNDX-CQSZACIVSA-N 1 0 244.382 3.667 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399231089 357899521 /nfs/dbraw/zinc/89/95/21/357899521.db2.gz PBZVWFMHBRYIBB-CYBMUJFWSA-N 1 0 244.382 3.667 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399231092 357899500 /nfs/dbraw/zinc/89/95/00/357899500.db2.gz PBZVWFMHBRYIBB-ZDUSSCGKSA-N 1 0 244.382 3.667 20 30 BHEDRO N#CCCC1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000399294568 357901119 /nfs/dbraw/zinc/90/11/19/357901119.db2.gz QKCLNFZXDNRJBN-INIZCTEOSA-N 1 0 246.398 3.891 20 30 BHEDRO N#CCCC1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000399294569 357901307 /nfs/dbraw/zinc/90/13/07/357901307.db2.gz QKCLNFZXDNRJBN-MRXNPFEDSA-N 1 0 246.398 3.891 20 30 BHEDRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(CCC#N)CC2)C1 ZINC000399296174 355921865 /nfs/dbraw/zinc/92/18/65/355921865.db2.gz RHYUAGXAAQDQMN-GDBMZVCRSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CCC[C@@H](C[NH+]2CCC(CCC#N)CC2)C1 ZINC000399296177 355921520 /nfs/dbraw/zinc/92/15/20/355921520.db2.gz RHYUAGXAAQDQMN-GOEBONIOSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CCC[C@H](C[NH+]2CCC(CCC#N)CC2)C1 ZINC000399296179 355921481 /nfs/dbraw/zinc/92/14/81/355921481.db2.gz RHYUAGXAAQDQMN-HOCLYGCPSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CCC[C@H](C[NH+]2CCC(CCC#N)CC2)C1 ZINC000399296182 355921421 /nfs/dbraw/zinc/92/14/21/355921421.db2.gz RHYUAGXAAQDQMN-ZBFHGGJFSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1CCC(C[NH+]2CCC(CCC#N)CC2)CC1 ZINC000399299652 355927905 /nfs/dbraw/zinc/92/79/05/355927905.db2.gz SXSJUIZDWBHNQH-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO Cc1cc(C[NH+]2CCC(CCC#N)CC2)cs1 ZINC000399404932 357906223 /nfs/dbraw/zinc/90/62/23/357906223.db2.gz XPTUHQGZXGCJTK-UHFFFAOYSA-N 1 0 248.395 3.572 20 30 BHEDRO N#CCCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC000399477522 386964461 /nfs/dbraw/zinc/96/44/61/386964461.db2.gz XZRGHUKDDSCHIQ-UHFFFAOYSA-N 1 0 246.398 3.893 20 30 BHEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000399657153 387561574 /nfs/dbraw/zinc/56/15/74/387561574.db2.gz KFVXQKVYIHQBGI-HZSPNIEDSA-N 1 0 236.403 3.683 20 30 BHEDRO C[C@@H]1[C@H](C)C[N@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000399657154 387561699 /nfs/dbraw/zinc/56/16/99/387561699.db2.gz KFVXQKVYIHQBGI-MCIONIFRSA-N 1 0 236.403 3.683 20 30 BHEDRO C[C@H]1[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000399657155 387562264 /nfs/dbraw/zinc/56/22/64/387562264.db2.gz KFVXQKVYIHQBGI-MGPQQGTHSA-N 1 0 236.403 3.683 20 30 BHEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)[C@@H](C)[C@H]1C ZINC000399657156 387562359 /nfs/dbraw/zinc/56/23/59/387562359.db2.gz KFVXQKVYIHQBGI-RDBSUJKOSA-N 1 0 236.403 3.683 20 30 BHEDRO C[C@H](C[N@H+](C)CCCC(C)(C)C#N)C(C)(C)C ZINC000399682460 357011344 /nfs/dbraw/zinc/01/13/44/357011344.db2.gz KAEBFQXZCHQGCR-CYBMUJFWSA-N 1 0 238.419 3.930 20 30 BHEDRO C[C@@H](C[N@H+](C)CCCC(C)(C)C#N)C(C)(C)C ZINC000399682462 357011590 /nfs/dbraw/zinc/01/15/90/357011590.db2.gz KAEBFQXZCHQGCR-ZDUSSCGKSA-N 1 0 238.419 3.930 20 30 BHEDRO C=CCCCCC[NH+]1CCC(CCC#N)CC1 ZINC000399703959 342740950 /nfs/dbraw/zinc/74/09/50/342740950.db2.gz BTUXMRSMFKMVPV-UHFFFAOYSA-N 1 0 234.387 3.749 20 30 BHEDRO CC(C)C[C@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000399746535 342742617 /nfs/dbraw/zinc/74/26/17/342742617.db2.gz MWZDTTARSKLWJW-AWEZNQCLSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)C[C@@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000399746536 342742470 /nfs/dbraw/zinc/74/24/70/342742470.db2.gz MWZDTTARSKLWJW-CQSZACIVSA-N 1 0 236.403 3.684 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)CCC(C)(C)C ZINC000399748810 359653118 /nfs/dbraw/zinc/65/31/18/359653118.db2.gz DCXFIDIQDKPLMV-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO N#CCCC1CC[NH+](CCC2CCCC2)CC1 ZINC000399755292 342742889 /nfs/dbraw/zinc/74/28/89/342742889.db2.gz PSZGFCBBDUYGSX-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)(C)CCC[NH+]1CCC(CCC#N)CC1 ZINC000399793694 342830738 /nfs/dbraw/zinc/83/07/38/342830738.db2.gz YOVHWBCBMXOZAO-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C[N@H+](CCC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000399869552 357088715 /nfs/dbraw/zinc/08/87/15/357088715.db2.gz XVHXWHAXBRGCTL-UHFFFAOYSA-N 1 0 244.382 3.621 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000400024287 344229832 /nfs/dbraw/zinc/22/98/32/344229832.db2.gz NGPOZNUORQJOIW-NRXISQOPSA-N 1 0 248.414 3.732 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CC2CCC1CC2 ZINC000400024288 344229877 /nfs/dbraw/zinc/22/98/77/344229877.db2.gz NGPOZNUORQJOIW-YMAMQOFZSA-N 1 0 248.414 3.732 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H](CC)CC(F)(F)F ZINC000402669745 527425455 /nfs/dbraw/zinc/42/54/55/527425455.db2.gz NNVFSOWSOZTNQC-GHMZBOCLSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402669747 527425356 /nfs/dbraw/zinc/42/53/56/527425356.db2.gz NNVFSOWSOZTNQC-MNOVXSKESA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CC)CC(F)(F)F ZINC000402669750 527464349 /nfs/dbraw/zinc/46/43/49/527464349.db2.gz NNVFSOWSOZTNQC-QWRGUYRKSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H](CC)CC(F)(F)F ZINC000402669751 527464761 /nfs/dbraw/zinc/46/47/61/527464761.db2.gz NNVFSOWSOZTNQC-WDEREUQCSA-N 1 0 237.309 3.909 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000403991544 529318982 /nfs/dbraw/zinc/31/89/82/529318982.db2.gz DWOJBQUKDKHKKB-GFCCVEGCSA-N 1 0 248.345 3.565 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000403991547 529658449 /nfs/dbraw/zinc/65/84/49/529658449.db2.gz DWOJBQUKDKHKKB-LBPRGKRZSA-N 1 0 248.345 3.565 20 30 BHEDRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404042801 527618757 /nfs/dbraw/zinc/61/87/57/527618757.db2.gz BOFUOBXNIVENCA-UHFFFAOYSA-N 1 0 248.345 3.612 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404044388 533721137 /nfs/dbraw/zinc/72/11/37/533721137.db2.gz GTYAZNJBDJDLLQ-LLVKDONJSA-N 1 0 248.345 3.612 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404044504 533468409 /nfs/dbraw/zinc/46/84/09/533468409.db2.gz GTYAZNJBDJDLLQ-NSHDSACASA-N 1 0 248.345 3.612 20 30 BHEDRO C[N@H+](CCC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC000404050768 357490677 /nfs/dbraw/zinc/49/06/77/357490677.db2.gz FARFEYMIOYSIML-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404059373 387043982 /nfs/dbraw/zinc/04/39/82/387043982.db2.gz MAAWYCZTGPGZSP-GFCCVEGCSA-N 1 0 248.345 3.708 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404059374 387043308 /nfs/dbraw/zinc/04/33/08/387043308.db2.gz MAAWYCZTGPGZSP-LBPRGKRZSA-N 1 0 248.345 3.708 20 30 BHEDRO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)CC(C)C ZINC000404064110 528131553 /nfs/dbraw/zinc/13/15/53/528131553.db2.gz NECSCNYRNHZETL-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO CCC1([NH2+]Cc2ccc(C#N)c(F)c2)CCCC1 ZINC000404064960 527801268 /nfs/dbraw/zinc/80/12/68/527801268.db2.gz JMMLBCVBYOLDRN-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404071966 527805361 /nfs/dbraw/zinc/80/53/61/527805361.db2.gz LXZZBEBMFJGCBB-GFCCVEGCSA-N 1 0 248.345 3.612 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404071969 527843459 /nfs/dbraw/zinc/84/34/59/527843459.db2.gz LXZZBEBMFJGCBB-LBPRGKRZSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)CC(C)(C)C ZINC000404076564 528770594 /nfs/dbraw/zinc/77/05/94/528770594.db2.gz QUTGDIZYQNFERH-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000404076599 369419120 /nfs/dbraw/zinc/41/91/20/369419120.db2.gz QVQOIQFZUPAMBD-LLVKDONJSA-N 1 0 248.345 3.564 20 30 BHEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000404076602 369418672 /nfs/dbraw/zinc/41/86/72/369418672.db2.gz QVQOIQFZUPAMBD-NSHDSACASA-N 1 0 248.345 3.564 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404087997 527272433 /nfs/dbraw/zinc/27/24/33/527272433.db2.gz VINOJSOFOGDZTF-GFCCVEGCSA-N 1 0 246.329 3.532 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404087999 527296592 /nfs/dbraw/zinc/29/65/92/527296592.db2.gz VINOJSOFOGDZTF-LBPRGKRZSA-N 1 0 246.329 3.532 20 30 BHEDRO CC1([NH2+]Cc2ccc(C#N)c(F)c2)CCCCC1 ZINC000404091025 528032761 /nfs/dbraw/zinc/03/27/61/528032761.db2.gz UFLQSXGYIOGARH-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404091095 529337456 /nfs/dbraw/zinc/33/74/56/529337456.db2.gz UGSUDRHVZDAMOI-NEPJUHHUSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404091097 529679386 /nfs/dbraw/zinc/67/93/86/529679386.db2.gz UGSUDRHVZDAMOI-NWDGAFQWSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404091100 529683086 /nfs/dbraw/zinc/68/30/86/529683086.db2.gz UGSUDRHVZDAMOI-RYUDHWBXSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404091102 529335023 /nfs/dbraw/zinc/33/50/23/529335023.db2.gz UGSUDRHVZDAMOI-VXGBXAGGSA-N 1 0 248.345 3.612 20 30 BHEDRO CC(C)(C)CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404095519 323108912 /nfs/dbraw/zinc/10/89/12/323108912.db2.gz AMZHMDFMOZVSSU-UHFFFAOYSA-N 1 0 248.345 3.613 20 30 BHEDRO C=CCCCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404108986 358053726 /nfs/dbraw/zinc/05/37/26/358053726.db2.gz ILDWYXXJHPGTAR-UHFFFAOYSA-N 1 0 246.329 3.533 20 30 BHEDRO N#Cc1ccc(C[NH2+]C2CCCCCC2)cc1F ZINC000404149426 229376465 /nfs/dbraw/zinc/37/64/65/229376465.db2.gz QUGCEWXEDULJGC-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO CC(C)C[C@@H](C)CN1Cc2cccc(C#N)c2C1 ZINC000405048733 369443055 /nfs/dbraw/zinc/44/30/55/369443055.db2.gz BYIYLLNTHRCBEQ-CYBMUJFWSA-N 1 0 242.366 3.556 20 30 BHEDRO CC(C)C[C@H](C)CN1Cc2cccc(C#N)c2C1 ZINC000405048738 369442508 /nfs/dbraw/zinc/44/25/08/369442508.db2.gz BYIYLLNTHRCBEQ-ZDUSSCGKSA-N 1 0 242.366 3.556 20 30 BHEDRO Cc1scc(C[NH2+]CC2(C#N)CCCC2)c1C ZINC000405099900 351746484 /nfs/dbraw/zinc/74/64/84/351746484.db2.gz LVNNAQJUIRHNEC-UHFFFAOYSA-N 1 0 248.395 3.539 20 30 BHEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)C1CCCC1 ZINC000405129313 351859145 /nfs/dbraw/zinc/85/91/45/351859145.db2.gz CKNXJDYSIDZSQY-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C#N)CCCC1)C1CCCC1 ZINC000405129314 351859426 /nfs/dbraw/zinc/85/94/26/351859426.db2.gz CKNXJDYSIDZSQY-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H]1CCCCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405136918 351895843 /nfs/dbraw/zinc/89/58/43/351895843.db2.gz BQMCTCJRUVAQPF-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405136919 351895566 /nfs/dbraw/zinc/89/55/66/351895566.db2.gz BQMCTCJRUVAQPF-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H]1CCCCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405136920 351896505 /nfs/dbraw/zinc/89/65/05/351896505.db2.gz BQMCTCJRUVAQPF-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CCCCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405136921 351896358 /nfs/dbraw/zinc/89/63/58/351896358.db2.gz BQMCTCJRUVAQPF-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+]CC1(C#N)CCCC1 ZINC000405157792 351981465 /nfs/dbraw/zinc/98/14/65/351981465.db2.gz USUOQDLXZZSFHN-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H](CCC(C)(C)C)[NH2+]CC1(C#N)CCCC1 ZINC000405157794 351981700 /nfs/dbraw/zinc/98/17/00/351981700.db2.gz USUOQDLXZZSFHN-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC1(C)CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000405164295 352009873 /nfs/dbraw/zinc/00/98/73/352009873.db2.gz HOFXGDRQBLIOJL-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC000405178114 369447624 /nfs/dbraw/zinc/44/76/24/369447624.db2.gz UOZFSCJJFZQOMH-UHFFFAOYSA-N 1 0 234.387 3.630 20 30 BHEDRO CCC1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000405187821 369448116 /nfs/dbraw/zinc/44/81/16/369448116.db2.gz MRPUHNXIHACOOF-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405189247 369448388 /nfs/dbraw/zinc/44/83/88/369448388.db2.gz OLPLXUVUMJGCBC-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405189248 369447649 /nfs/dbraw/zinc/44/76/49/369447649.db2.gz OLPLXUVUMJGCBC-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC000405189594 369447820 /nfs/dbraw/zinc/44/78/20/369447820.db2.gz OVCYXPRDTBGFCJ-UHFFFAOYSA-N 1 0 234.387 3.630 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405190770 352088082 /nfs/dbraw/zinc/08/80/82/352088082.db2.gz QQBVEBGEQIYHTH-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405190771 352088254 /nfs/dbraw/zinc/08/82/54/352088254.db2.gz QQBVEBGEQIYHTH-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405190772 352088447 /nfs/dbraw/zinc/08/84/47/352088447.db2.gz QQBVEBGEQIYHTH-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405190773 352088155 /nfs/dbraw/zinc/08/81/55/352088155.db2.gz QQBVEBGEQIYHTH-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405191652 369448255 /nfs/dbraw/zinc/44/82/55/369448255.db2.gz SAXUZAIVEVKZKY-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405191653 369447997 /nfs/dbraw/zinc/44/79/97/369447997.db2.gz SAXUZAIVEVKZKY-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)C1CCCCC1 ZINC000405194413 369449058 /nfs/dbraw/zinc/44/90/58/369449058.db2.gz ZPEGCLNYFSBUPL-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)C1CCCCC1 ZINC000405194414 369449610 /nfs/dbraw/zinc/44/96/10/369449610.db2.gz ZPEGCLNYFSBUPL-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C=C(C)C[N@H+](Cc1cccs1)C(C)C ZINC000409444270 191010198 /nfs/dbraw/zinc/01/01/98/191010198.db2.gz CYHBRNCBOYROGA-UHFFFAOYSA-N 1 0 209.358 3.535 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)CC(C)(C)C ZINC000409444492 191011995 /nfs/dbraw/zinc/01/19/95/191011995.db2.gz BDWVBZGXUXGIJK-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCCC(C)(C)C#N ZINC000409444640 191012944 /nfs/dbraw/zinc/01/29/44/191012944.db2.gz NADSGTGVVQHFOG-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO C=CCCC[N@H+](C)CCCCC(C)(C)C#N ZINC000409444641 191014058 /nfs/dbraw/zinc/01/40/58/191014058.db2.gz UKOUFPBWXUCZQK-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO CC[N@H+](CC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000409444851 191012313 /nfs/dbraw/zinc/01/23/13/191012313.db2.gz SALQOIFBYQDFJY-CYBMUJFWSA-N 1 0 230.355 3.597 20 30 BHEDRO CC[N@H+](CC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000409444852 191011194 /nfs/dbraw/zinc/01/11/94/191011194.db2.gz SALQOIFBYQDFJY-ZDUSSCGKSA-N 1 0 230.355 3.597 20 30 BHEDRO CC(C)[N@H+](CCCC(C)(C)C#N)C1CCCC1 ZINC000409444859 191012350 /nfs/dbraw/zinc/01/23/50/191012350.db2.gz OXLSGVFHRAXHLL-UHFFFAOYSA-N 1 0 236.403 3.969 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)CC1CCCC1 ZINC000409444868 191011113 /nfs/dbraw/zinc/01/11/13/191011113.db2.gz ARLFNTXCCAGPAF-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CC(C)(C)C1=CC[N@H+](CCC(C)(C)C#N)CC1 ZINC000409445001 191014283 /nfs/dbraw/zinc/01/42/83/191014283.db2.gz OUEGZSIWOISHRX-UHFFFAOYSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)[N@H+](CCCCC(C)(C)C#N)C1CCC1 ZINC000409445034 191014476 /nfs/dbraw/zinc/01/44/76/191014476.db2.gz BJWZMQUYKZYBJI-UHFFFAOYSA-N 1 0 236.403 3.969 20 30 BHEDRO C=CC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000409445037 191014718 /nfs/dbraw/zinc/01/47/18/191014718.db2.gz HOFCSEABGDPSTI-UHFFFAOYSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000409445218 191013522 /nfs/dbraw/zinc/01/35/22/191013522.db2.gz OQEZQLRARXMGTG-HNNXBMFYSA-N 1 0 242.366 3.763 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000409445219 191013989 /nfs/dbraw/zinc/01/39/89/191013989.db2.gz OQEZQLRARXMGTG-OAHLLOKOSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000409445292 191012876 /nfs/dbraw/zinc/01/28/76/191012876.db2.gz DMGJIFBPJCMBSG-KBPBESRZSA-N 1 0 244.382 3.987 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000409445293 191012652 /nfs/dbraw/zinc/01/26/52/191012652.db2.gz DMGJIFBPJCMBSG-KGLIPLIRSA-N 1 0 244.382 3.987 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000409445294 191012815 /nfs/dbraw/zinc/01/28/15/191012815.db2.gz DMGJIFBPJCMBSG-UONOGXRCSA-N 1 0 244.382 3.987 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000409445295 191012722 /nfs/dbraw/zinc/01/27/22/191012722.db2.gz DMGJIFBPJCMBSG-ZIAGYGMSSA-N 1 0 244.382 3.987 20 30 BHEDRO CC[C@H](C)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000409445344 191013943 /nfs/dbraw/zinc/01/39/43/191013943.db2.gz ONKDDCCVJQGIMG-AWEZNQCLSA-N 1 0 244.382 3.815 20 30 BHEDRO CC[C@@H](C)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000409445345 191013909 /nfs/dbraw/zinc/01/39/09/191013909.db2.gz ONKDDCCVJQGIMG-CQSZACIVSA-N 1 0 244.382 3.815 20 30 BHEDRO CC(C)(C)C1=CC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000409445412 191014836 /nfs/dbraw/zinc/01/48/36/191014836.db2.gz YCZJWNSMKXRHSC-UHFFFAOYSA-N 1 0 248.414 3.995 20 30 BHEDRO CC[N@H+](CCC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000409445540 191015192 /nfs/dbraw/zinc/01/51/92/191015192.db2.gz MTPYYCGZKFLNOJ-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[N@H+](CCC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000409445541 191014171 /nfs/dbraw/zinc/01/41/71/191014171.db2.gz MTPYYCGZKFLNOJ-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO C[N@H+](CCCC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000410310323 191028253 /nfs/dbraw/zinc/02/82/53/191028253.db2.gz JAJVNCNHSNYTNS-UHFFFAOYSA-N 1 0 244.382 3.816 20 30 BHEDRO CC(C)C[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000410310454 191027667 /nfs/dbraw/zinc/02/76/67/191027667.db2.gz LPDJJZFJHLKRHJ-AWEZNQCLSA-N 1 0 244.382 3.672 20 30 BHEDRO CC(C)C[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000410310455 191027810 /nfs/dbraw/zinc/02/78/10/191027810.db2.gz LPDJJZFJHLKRHJ-CQSZACIVSA-N 1 0 244.382 3.672 20 30 BHEDRO CCCC[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411128512 191160993 /nfs/dbraw/zinc/16/09/93/191160993.db2.gz RQIZRCGVBLUKTR-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO C[N@H+](CCC1(C#N)CCCCC1)Cc1ccco1 ZINC000411130856 191161113 /nfs/dbraw/zinc/16/11/13/191161113.db2.gz HESTVANKNRIRPC-UHFFFAOYSA-N 1 0 246.354 3.576 20 30 BHEDRO CC(C)[C@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411140652 191163189 /nfs/dbraw/zinc/16/31/89/191163189.db2.gz IBKVSEBTPRUIOI-AWEZNQCLSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411140655 191163648 /nfs/dbraw/zinc/16/36/48/191163648.db2.gz IBKVSEBTPRUIOI-CQSZACIVSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411145129 191163256 /nfs/dbraw/zinc/16/32/56/191163256.db2.gz BMSIHKRTMZUSOF-AWEZNQCLSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411145130 191163155 /nfs/dbraw/zinc/16/31/55/191163155.db2.gz BMSIHKRTMZUSOF-CQSZACIVSA-N 1 0 234.387 3.582 20 30 BHEDRO C[N@H+](CCC1(C#N)CCCCC1)C1CCCC1 ZINC000411145279 191163269 /nfs/dbraw/zinc/16/32/69/191163269.db2.gz LHASTJVDWBHKJV-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411146353 191162883 /nfs/dbraw/zinc/16/28/83/191162883.db2.gz FIIIRJRMJCZIGI-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CC1(CC[NH+]2CCCCCC2)CCCCC1 ZINC000411153729 191164469 /nfs/dbraw/zinc/16/44/69/191164469.db2.gz JGKGSKXITLVMFI-UHFFFAOYSA-N 1 0 234.387 3.727 20 30 BHEDRO C[C@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411158361 191162636 /nfs/dbraw/zinc/16/26/36/191162636.db2.gz SKNFGYCHRCYUFK-AWEZNQCLSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411158364 191163372 /nfs/dbraw/zinc/16/33/72/191163372.db2.gz SKNFGYCHRCYUFK-CQSZACIVSA-N 1 0 234.387 3.725 20 30 BHEDRO C=CC[NH+](CC=C)CCC1(C#N)CCCCC1 ZINC000411159949 191163721 /nfs/dbraw/zinc/16/37/21/191163721.db2.gz AKMHKBPMNYLVEQ-UHFFFAOYSA-N 1 0 232.371 3.525 20 30 BHEDRO C=CC[NH+](CC=C)[C@H](C)c1cccc(F)c1 ZINC000411162568 191164057 /nfs/dbraw/zinc/16/40/57/191164057.db2.gz HAOUBTDXUKZSNF-GFCCVEGCSA-N 1 0 219.303 3.561 20 30 BHEDRO C=CC[NH+](CC=C)[C@@H](C)c1cccc(F)c1 ZINC000411162569 191165112 /nfs/dbraw/zinc/16/51/12/191165112.db2.gz HAOUBTDXUKZSNF-LBPRGKRZSA-N 1 0 219.303 3.561 20 30 BHEDRO CC(C)c1ccc(C[N@H+](C)[C@@H](C)CCC#N)cc1 ZINC000411162926 191164665 /nfs/dbraw/zinc/16/46/65/191164665.db2.gz YRQQZVRZXCLICO-AWEZNQCLSA-N 1 0 244.382 3.934 20 30 BHEDRO CC(C)c1ccc(C[N@H+](C)[C@H](C)CCC#N)cc1 ZINC000411162927 191163994 /nfs/dbraw/zinc/16/39/94/191163994.db2.gz YRQQZVRZXCLICO-CQSZACIVSA-N 1 0 244.382 3.934 20 30 BHEDRO CCC[NH+](CCC)[C@H](C)c1cccc(C#N)c1 ZINC000411169500 191165734 /nfs/dbraw/zinc/16/57/34/191165734.db2.gz SYQOKTYJJVGVBB-CYBMUJFWSA-N 1 0 230.355 3.741 20 30 BHEDRO CCC[NH+](CCC)[C@@H](C)c1cccc(C#N)c1 ZINC000411169501 191165675 /nfs/dbraw/zinc/16/56/75/191165675.db2.gz SYQOKTYJJVGVBB-ZDUSSCGKSA-N 1 0 230.355 3.741 20 30 BHEDRO 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CC[C@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411212711 191169900 /nfs/dbraw/zinc/16/99/00/191169900.db2.gz AZEOFEXXTFFPQU-AWEZNQCLSA-N 1 0 234.387 3.725 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411212712 191168944 /nfs/dbraw/zinc/16/89/44/191168944.db2.gz AZEOFEXXTFFPQU-CQSZACIVSA-N 1 0 234.387 3.725 20 30 BHEDRO CC1(C)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411228253 191171269 /nfs/dbraw/zinc/17/12/69/191171269.db2.gz RTERHMFWMGIVEU-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@H](CCC#N)[N@H+](C)CCC1CCCCC1 ZINC000411229163 191170347 /nfs/dbraw/zinc/17/03/47/191170347.db2.gz SRNGNVCKPIPNRR-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@@H](CCC#N)[N@H+](C)CCC1CCCCC1 ZINC000411229165 191170351 /nfs/dbraw/zinc/17/03/51/191170351.db2.gz SRNGNVCKPIPNRR-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411232512 191172209 /nfs/dbraw/zinc/17/22/09/191172209.db2.gz ZVRUDPFKFDCDPD-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO C=CC[N@H+](CC1CCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000411254275 191172817 /nfs/dbraw/zinc/17/28/17/191172817.db2.gz FPUMONACFQRZNY-CVEARBPZSA-N 1 0 246.398 3.747 20 30 BHEDRO C=CC[N@H+](CC1CCCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000411254276 191173025 /nfs/dbraw/zinc/17/30/25/191173025.db2.gz FPUMONACFQRZNY-HOTGVXAUSA-N 1 0 246.398 3.747 20 30 BHEDRO C=CC[N@H+](CC1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000411254277 191173109 /nfs/dbraw/zinc/17/31/09/191173109.db2.gz FPUMONACFQRZNY-HZPDHXFCSA-N 1 0 246.398 3.747 20 30 BHEDRO C=CC[N@H+](CC1CCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000411254278 191171864 /nfs/dbraw/zinc/17/18/64/191171864.db2.gz FPUMONACFQRZNY-JKSUJKDBSA-N 1 0 246.398 3.747 20 30 BHEDRO C=CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411256528 191171893 /nfs/dbraw/zinc/17/18/93/191171893.db2.gz QTORMNYDBSCHFL-UHFFFAOYSA-N 1 0 246.398 3.749 20 30 BHEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)CCC#N ZINC000411258051 191172663 /nfs/dbraw/zinc/17/26/63/191172663.db2.gz LIRUQRDHHBFNAI-AWEZNQCLSA-N 1 0 234.387 3.747 20 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Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)CCC#N)s1 ZINC000411281695 191174930 /nfs/dbraw/zinc/17/49/30/191174930.db2.gz NQKOKLIHHAREFI-AAEUAGOBSA-N 1 0 248.395 3.886 20 30 BHEDRO Cc1ccc([C@H]2CCC[N@H+]2[C@H](C)CCC#N)s1 ZINC000411281700 191176329 /nfs/dbraw/zinc/17/63/29/191176329.db2.gz NQKOKLIHHAREFI-DGCLKSJQSA-N 1 0 248.395 3.886 20 30 BHEDRO Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C)CCC#N)s1 ZINC000411281701 191175720 /nfs/dbraw/zinc/17/57/20/191175720.db2.gz NQKOKLIHHAREFI-WCQYABFASA-N 1 0 248.395 3.886 20 30 BHEDRO Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C)CCC#N)s1 ZINC000411281703 191175263 /nfs/dbraw/zinc/17/52/63/191175263.db2.gz NQKOKLIHHAREFI-YPMHNXCESA-N 1 0 248.395 3.886 20 30 BHEDRO C[C@H]1C[C@H](C)[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411282910 191176246 /nfs/dbraw/zinc/17/62/46/191176246.db2.gz JWPACTFBMGJRFX-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H]1C[C@H](C)[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411282911 191175015 /nfs/dbraw/zinc/17/50/15/191175015.db2.gz JWPACTFBMGJRFX-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H]1C[C@H](C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411282912 191175119 /nfs/dbraw/zinc/17/51/19/191175119.db2.gz JWPACTFBMGJRFX-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H]1C[C@@H](C)[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411282913 191175541 /nfs/dbraw/zinc/17/55/41/191175541.db2.gz JWPACTFBMGJRFX-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[N@H+](CCC1(C#N)CCCCC1)C1CCC1 ZINC000411289484 191175844 /nfs/dbraw/zinc/17/58/44/191175844.db2.gz HITFKBVSCDXIRZ-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411290300 191175444 /nfs/dbraw/zinc/17/54/44/191175444.db2.gz IMWSLCLEAWZLOR-GJZGRUSLSA-N 1 0 233.330 3.580 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411290301 191175892 /nfs/dbraw/zinc/17/58/92/191175892.db2.gz IMWSLCLEAWZLOR-LSDHHAIUSA-N 1 0 233.330 3.580 20 30 BHEDRO CC1(C)CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411291288 191176220 /nfs/dbraw/zinc/17/62/20/191176220.db2.gz BUUQNBZJWCOZBS-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CCC[C@@]1(C)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411294615 191175514 /nfs/dbraw/zinc/17/55/14/191175514.db2.gz ILMPIYZATXHHCC-KBPBESRZSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@@]1(C)CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411294618 191175381 /nfs/dbraw/zinc/17/53/81/191175381.db2.gz ILMPIYZATXHHCC-KGLIPLIRSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@]1(C)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411294620 191175236 /nfs/dbraw/zinc/17/52/36/191175236.db2.gz ILMPIYZATXHHCC-UONOGXRCSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@]1(C)CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411294622 191176347 /nfs/dbraw/zinc/17/63/47/191176347.db2.gz ILMPIYZATXHHCC-ZIAGYGMSSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CCCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411296373 191175158 /nfs/dbraw/zinc/17/51/58/191175158.db2.gz RYZBJFOJSYPRKY-UHFFFAOYSA-N 1 0 234.387 3.749 20 30 BHEDRO C[C@H]1CC[C@H](C)[NH+]1CCC1(C#N)CCCCC1 ZINC000411314603 191177753 /nfs/dbraw/zinc/17/77/53/191177753.db2.gz FAPPVRPPYVSXHQ-KBPBESRZSA-N 1 0 234.387 3.723 20 30 BHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCC1(C#N)CCCCC1 ZINC000411314604 191176617 /nfs/dbraw/zinc/17/66/17/191176617.db2.gz FAPPVRPPYVSXHQ-OKILXGFUSA-N 1 0 234.387 3.723 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCC1(C#N)CCCCC1 ZINC000411314605 191176804 /nfs/dbraw/zinc/17/68/04/191176804.db2.gz FAPPVRPPYVSXHQ-ZIAGYGMSSA-N 1 0 234.387 3.723 20 30 BHEDRO N#CC1(CC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCCCC1 ZINC000411317689 191177831 /nfs/dbraw/zinc/17/78/31/191177831.db2.gz OWZGRFQRRZFSFM-GASCZTMLSA-N 1 0 246.398 3.582 20 30 BHEDRO N#CC1(CC[NH+]2C[C@@H]3CCC[C@H]3C2)CCCCC1 ZINC000411317690 191177437 /nfs/dbraw/zinc/17/74/37/191177437.db2.gz OWZGRFQRRZFSFM-GJZGRUSLSA-N 1 0 246.398 3.582 20 30 BHEDRO N#CC1(CC[NH+]2C[C@H]3CCC[C@@H]3C2)CCCCC1 ZINC000411317691 191177010 /nfs/dbraw/zinc/17/70/10/191177010.db2.gz OWZGRFQRRZFSFM-HUUCEWRRSA-N 1 0 246.398 3.582 20 30 BHEDRO N#CC1(CC[N@@H+]2CCC3(CCC3)C2)CCCCC1 ZINC000411318777 191176721 /nfs/dbraw/zinc/17/67/21/191176721.db2.gz 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/nfs/dbraw/zinc/17/91/82/191179182.db2.gz OBWPWCHJEZMAGI-CQSZACIVSA-N 1 0 234.387 3.582 20 30 BHEDRO CC[C@@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411360126 191180458 /nfs/dbraw/zinc/18/04/58/191180458.db2.gz FIWSJOGYCIYMIW-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411360128 191180135 /nfs/dbraw/zinc/18/01/35/191180135.db2.gz FIWSJOGYCIYMIW-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC(C)(C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411376174 191181138 /nfs/dbraw/zinc/18/11/38/191181138.db2.gz IYWZFJPPAKUWPH-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO C[N@H+](CCC1CC1)CCC1(C#N)CCCCC1 ZINC000411398710 191181947 /nfs/dbraw/zinc/18/19/47/191181947.db2.gz KFODRJITLWCWSB-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC1=CC[N@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411405982 191184178 /nfs/dbraw/zinc/18/41/78/191184178.db2.gz IHMFGLXRIWOCDW-UHFFFAOYSA-N 1 0 232.371 3.503 20 30 BHEDRO N#CC1(CC[N@@H+]2CC[C@H](C3CC3)C2)CCCCC1 ZINC000411413947 191183350 /nfs/dbraw/zinc/18/33/50/191183350.db2.gz LGQDJXIBVMOHNY-HNNXBMFYSA-N 1 0 246.398 3.582 20 30 BHEDRO N#CC1(CC[N@@H+]2CC[C@@H](C3CC3)C2)CCCCC1 ZINC000411413949 191182939 /nfs/dbraw/zinc/18/29/39/191182939.db2.gz LGQDJXIBVMOHNY-OAHLLOKOSA-N 1 0 246.398 3.582 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1ccc(C)cc1 ZINC000411436695 191186151 /nfs/dbraw/zinc/18/61/51/191186151.db2.gz IFUCVLKBJITWKJ-DZGCQCFKSA-N 1 0 230.355 3.728 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)CCC#N)c1ccc(C)cc1 ZINC000411436696 191185961 /nfs/dbraw/zinc/18/59/61/191185961.db2.gz IFUCVLKBJITWKJ-HIFRSBDPSA-N 1 0 230.355 3.728 20 30 BHEDRO CC[C@@H]([NH2+][C@H](C)CCC#N)c1ccc(C)cc1 ZINC000411436697 191185976 /nfs/dbraw/zinc/18/59/76/191185976.db2.gz IFUCVLKBJITWKJ-UKRRQHHQSA-N 1 0 230.355 3.728 20 30 BHEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)c1ccc(C)cc1 ZINC000411436698 191185998 /nfs/dbraw/zinc/18/59/98/191185998.db2.gz IFUCVLKBJITWKJ-ZFWWWQNUSA-N 1 0 230.355 3.728 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000411438109 191186720 /nfs/dbraw/zinc/18/67/20/191186720.db2.gz MKHBRXDISLFIBP-GHMZBOCLSA-N 1 0 236.746 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cccc(Cl)c1 ZINC000411438119 191186524 /nfs/dbraw/zinc/18/65/24/191186524.db2.gz MKHBRXDISLFIBP-WDEREUQCSA-N 1 0 236.746 3.683 20 30 BHEDRO C=CC[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411438212 191186680 /nfs/dbraw/zinc/18/66/80/191186680.db2.gz BLPNITKGCVRHHS-UHFFFAOYSA-N 1 0 232.371 3.501 20 30 BHEDRO CC(C)[NH+](CCC1(C#N)CCCCC1)C(C)C ZINC000411443763 528880633 /nfs/dbraw/zinc/88/06/33/528880633.db2.gz MAIDQMZHKVQQEW-UHFFFAOYSA-N 1 0 236.403 3.969 20 30 BHEDRO CCC(CC)[C@@H]([NH2+]CCC#N)c1cccs1 ZINC000411445468 191185920 /nfs/dbraw/zinc/18/59/20/191185920.db2.gz ACTMZDHZDYNAFX-CYBMUJFWSA-N 1 0 236.384 3.729 20 30 BHEDRO CCC(CC)[C@H]([NH2+]CCC#N)c1cccs1 ZINC000411445476 191186643 /nfs/dbraw/zinc/18/66/43/191186643.db2.gz ACTMZDHZDYNAFX-ZDUSSCGKSA-N 1 0 236.384 3.729 20 30 BHEDRO CCC(CC)[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000411446176 191185572 /nfs/dbraw/zinc/18/55/72/191185572.db2.gz IJCFPMTZRPQEKG-HNNXBMFYSA-N 1 0 230.355 3.667 20 30 BHEDRO CCC(CC)[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000411446180 191186110 /nfs/dbraw/zinc/18/61/10/191186110.db2.gz IJCFPMTZRPQEKG-OAHLLOKOSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411470130 191187300 /nfs/dbraw/zinc/18/73/00/191187300.db2.gz NTUPERSMXMCLDT-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H](C)[C@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411470135 191187292 /nfs/dbraw/zinc/18/72/92/191187292.db2.gz NTUPERSMXMCLDT-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411470138 191187076 /nfs/dbraw/zinc/18/70/76/191187076.db2.gz NTUPERSMXMCLDT-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411470184 191187372 /nfs/dbraw/zinc/18/73/72/191187372.db2.gz NTUPERSMXMCLDT-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO N#CCC[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000411478927 191188290 /nfs/dbraw/zinc/18/82/90/191188290.db2.gz GAGIJLFPEUOROO-INIZCTEOSA-N 1 0 242.366 3.811 20 30 BHEDRO N#CCC[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000411478929 191188398 /nfs/dbraw/zinc/18/83/98/191188398.db2.gz GAGIJLFPEUOROO-MRXNPFEDSA-N 1 0 242.366 3.811 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000411490722 191188582 /nfs/dbraw/zinc/18/85/82/191188582.db2.gz TYYCCZGKJTWPCR-UHFFFAOYSA-N 1 0 240.350 3.551 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000411512035 191190024 /nfs/dbraw/zinc/19/00/24/191190024.db2.gz ADXOTZJJCRRNGV-HZSPNIEDSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000411512036 191189934 /nfs/dbraw/zinc/18/99/34/191189934.db2.gz ADXOTZJJCRRNGV-MCIONIFRSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000411512037 191190296 /nfs/dbraw/zinc/19/02/96/191190296.db2.gz ADXOTZJJCRRNGV-MGPQQGTHSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000411512038 191189714 /nfs/dbraw/zinc/18/97/14/191189714.db2.gz ADXOTZJJCRRNGV-RDBSUJKOSA-N 1 0 236.403 3.873 20 30 BHEDRO CCCC[C@@H]([NH2+][C@@H](C)CCC#N)C1CCC1 ZINC000411515145 191190542 /nfs/dbraw/zinc/19/05/42/191190542.db2.gz HLWDJZZXSJGVIP-GXTWGEPZSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCC[C@H]([NH2+][C@@H](C)CCC#N)C1CCC1 ZINC000411515152 191189685 /nfs/dbraw/zinc/18/96/85/191189685.db2.gz HLWDJZZXSJGVIP-JSGCOSHPSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCC[C@H]([NH2+][C@H](C)CCC#N)C1CCC1 ZINC000411515154 191190390 /nfs/dbraw/zinc/19/03/90/191190390.db2.gz HLWDJZZXSJGVIP-OCCSQVGLSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCC[C@@H]([NH2+][C@H](C)CCC#N)C1CCC1 ZINC000411515156 191189849 /nfs/dbraw/zinc/18/98/49/191189849.db2.gz HLWDJZZXSJGVIP-TZMCWYRMSA-N 1 0 222.376 3.627 20 30 BHEDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)CCC#N ZINC000411526597 191190955 /nfs/dbraw/zinc/19/09/55/191190955.db2.gz MJWNJNHXQMVPBN-KBPBESRZSA-N 1 0 230.355 3.646 20 30 BHEDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)CCC#N ZINC000411526600 191191989 /nfs/dbraw/zinc/19/19/89/191191989.db2.gz MJWNJNHXQMVPBN-KGLIPLIRSA-N 1 0 230.355 3.646 20 30 BHEDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)CCC#N ZINC000411526601 191191466 /nfs/dbraw/zinc/19/14/66/191191466.db2.gz MJWNJNHXQMVPBN-UONOGXRCSA-N 1 0 230.355 3.646 20 30 BHEDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)CCC#N ZINC000411526603 191191772 /nfs/dbraw/zinc/19/17/72/191191772.db2.gz MJWNJNHXQMVPBN-ZIAGYGMSSA-N 1 0 230.355 3.646 20 30 BHEDRO N#CC1(CC[N@@H+]2CCCC3(CC3)C2)CCCCC1 ZINC000411556531 191194372 /nfs/dbraw/zinc/19/43/72/191194372.db2.gz XTXPGVONCMTYIR-UHFFFAOYSA-N 1 0 246.398 3.727 20 30 BHEDRO CCC1(CC)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411558099 191195349 /nfs/dbraw/zinc/19/53/49/191195349.db2.gz FAANFSDAVXFQHB-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC1(CC)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411558100 191195991 /nfs/dbraw/zinc/19/59/91/191195991.db2.gz FAANFSDAVXFQHB-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO N#CC1(CC[N@@H+]2CC[C@H]3CCC[C@@H]32)CCCCC1 ZINC000411565422 191194074 /nfs/dbraw/zinc/19/40/74/191194074.db2.gz FIGOOVMXKVOQLM-CABCVRRESA-N 1 0 246.398 3.725 20 30 BHEDRO N#CC1(CC[N@@H+]2CC[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000411565425 191193935 /nfs/dbraw/zinc/19/39/35/191193935.db2.gz FIGOOVMXKVOQLM-GJZGRUSLSA-N 1 0 246.398 3.725 20 30 BHEDRO N#CC1(CC[N@@H+]2CC[C@H]3CCC[C@H]32)CCCCC1 ZINC000411565428 191194406 /nfs/dbraw/zinc/19/44/06/191194406.db2.gz FIGOOVMXKVOQLM-HUUCEWRRSA-N 1 0 246.398 3.725 20 30 BHEDRO N#CC1(CC[N@@H+]2CC[C@@H]3CCC[C@H]32)CCCCC1 ZINC000411565431 191194767 /nfs/dbraw/zinc/19/47/67/191194767.db2.gz FIGOOVMXKVOQLM-LSDHHAIUSA-N 1 0 246.398 3.725 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000411614345 191196254 /nfs/dbraw/zinc/19/62/54/191196254.db2.gz HDGDFYVEGDZVAO-UHFFFAOYSA-N 1 0 240.350 3.551 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCC#N ZINC000411617576 191198441 /nfs/dbraw/zinc/19/84/41/191198441.db2.gz UHEBDFBDZMOGID-ILXRZTDVSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCC#N ZINC000411617590 191197479 /nfs/dbraw/zinc/19/74/79/191197479.db2.gz UHEBDFBDZMOGID-KKUMJFAQSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCC#N ZINC000411617592 191198626 /nfs/dbraw/zinc/19/86/26/191198626.db2.gz UHEBDFBDZMOGID-QLFBSQMISA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCC#N ZINC000411617595 191198773 /nfs/dbraw/zinc/19/87/73/191198773.db2.gz UHEBDFBDZMOGID-SOUVJXGZSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)(CC1CCCCCC1)[NH2+]CCC#N ZINC000411622392 191198452 /nfs/dbraw/zinc/19/84/52/191198452.db2.gz YQCLHTWKDIVMTE-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO C/C(=C/c1ccccc1)C[N@@H+](C)[C@H](C)CCC#N ZINC000411629207 191199655 /nfs/dbraw/zinc/19/96/55/191199655.db2.gz BNLBDCJGQYGTEZ-IKESIWSLSA-N 1 0 242.366 3.714 20 30 BHEDRO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H](C)CCC#N ZINC000411629209 191199182 /nfs/dbraw/zinc/19/91/82/191199182.db2.gz BNLBDCJGQYGTEZ-OKFGHLOFSA-N 1 0 242.366 3.714 20 30 BHEDRO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)CCC#N ZINC000411629210 191199886 /nfs/dbraw/zinc/19/98/86/191199886.db2.gz BNLBDCJGQYGTEZ-ZQHYZAEZSA-N 1 0 242.366 3.714 20 30 BHEDRO C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H](C)CCC#N ZINC000411629211 191199386 /nfs/dbraw/zinc/19/93/86/191199386.db2.gz BNLBDCJGQYGTEZ-ZSMUJPCHSA-N 1 0 242.366 3.714 20 30 BHEDRO N#CC1(CC[N@@H+]2CCCC23CCC3)CCCCC1 ZINC000411640704 191197828 /nfs/dbraw/zinc/19/78/28/191197828.db2.gz JPSATMDJRJVVMC-UHFFFAOYSA-N 1 0 246.398 3.869 20 30 BHEDRO C[C@H]1CCC[C@@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000411649428 191202530 /nfs/dbraw/zinc/20/25/30/191202530.db2.gz PSLLHDOOMZTOCB-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CCC[C@@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000411649430 191203298 /nfs/dbraw/zinc/20/32/98/191203298.db2.gz PSLLHDOOMZTOCB-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H]1CCC[C@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000411649432 191202328 /nfs/dbraw/zinc/20/23/28/191202328.db2.gz PSLLHDOOMZTOCB-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CCC[C@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000411649433 191203663 /nfs/dbraw/zinc/20/36/63/191203663.db2.gz PSLLHDOOMZTOCB-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411655351 191200949 /nfs/dbraw/zinc/20/09/49/191200949.db2.gz JXKGEKREBPNVLF-HNNXBMFYSA-N 1 0 246.398 3.891 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411655352 191201915 /nfs/dbraw/zinc/20/19/15/191201915.db2.gz JXKGEKREBPNVLF-OAHLLOKOSA-N 1 0 246.398 3.891 20 30 BHEDRO CC1=C[C@H](C)C[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411663627 191203335 /nfs/dbraw/zinc/20/33/35/191203335.db2.gz DEFYEYCGEBYNJU-AWEZNQCLSA-N 1 0 246.398 3.749 20 30 BHEDRO CC1=C[C@@H](C)C[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411663630 191202277 /nfs/dbraw/zinc/20/22/77/191202277.db2.gz DEFYEYCGEBYNJU-CQSZACIVSA-N 1 0 246.398 3.749 20 30 BHEDRO CC1=CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411675881 191204105 /nfs/dbraw/zinc/20/41/05/191204105.db2.gz QTWXNFNPNDSLSE-UHFFFAOYSA-N 1 0 232.371 3.503 20 30 BHEDRO CC1=C(C)C[N@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411683455 191204972 /nfs/dbraw/zinc/20/49/72/191204972.db2.gz RHWAFQBKRNBJLL-UHFFFAOYSA-N 1 0 246.398 3.893 20 30 BHEDRO CC(C)[C@H]([NH2+][C@H](C)CCC#N)c1ccc(F)cc1 ZINC000411687175 191204434 /nfs/dbraw/zinc/20/44/34/191204434.db2.gz FONATXKCMWOUBS-DOMZBBRYSA-N 1 0 248.345 3.805 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@H](C)CCC#N)c1ccc(F)cc1 ZINC000411687176 191204719 /nfs/dbraw/zinc/20/47/19/191204719.db2.gz FONATXKCMWOUBS-IUODEOHRSA-N 1 0 248.345 3.805 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@@H](C)CCC#N)c1ccc(F)cc1 ZINC000411687177 191205214 /nfs/dbraw/zinc/20/52/14/191205214.db2.gz FONATXKCMWOUBS-SWLSCSKDSA-N 1 0 248.345 3.805 20 30 BHEDRO CC(C)[C@H]([NH2+][C@@H](C)CCC#N)c1ccc(F)cc1 ZINC000411687178 191205120 /nfs/dbraw/zinc/20/51/20/191205120.db2.gz FONATXKCMWOUBS-WFASDCNBSA-N 1 0 248.345 3.805 20 30 BHEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC#N)C1 ZINC000411698904 191204337 /nfs/dbraw/zinc/20/43/37/191204337.db2.gz VVBXFMRWKCJEKC-HNNXBMFYSA-N 1 0 242.366 3.593 20 30 BHEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]CCC#N)C1 ZINC000411698905 191204399 /nfs/dbraw/zinc/20/43/99/191204399.db2.gz VVBXFMRWKCJEKC-OAHLLOKOSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000411759040 191208875 /nfs/dbraw/zinc/20/88/75/191208875.db2.gz PLUNGMZQBISUMH-GDBMZVCRSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000411759047 191209159 /nfs/dbraw/zinc/20/91/59/191209159.db2.gz PLUNGMZQBISUMH-GOEBONIOSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000411759049 191208766 /nfs/dbraw/zinc/20/87/66/191208766.db2.gz PLUNGMZQBISUMH-HOCLYGCPSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000411759051 191209452 /nfs/dbraw/zinc/20/94/52/191209452.db2.gz PLUNGMZQBISUMH-ZBFHGGJFSA-N 1 0 242.366 3.558 20 30 BHEDRO N#CC1(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 ZINC000411818504 191213062 /nfs/dbraw/zinc/21/30/62/191213062.db2.gz KTVJPQWRVLKTBU-ILXRZTDVSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 ZINC000411818505 191213087 /nfs/dbraw/zinc/21/30/87/191213087.db2.gz KTVJPQWRVLKTBU-QLFBSQMISA-N 1 0 246.398 3.629 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411970654 191236263 /nfs/dbraw/zinc/23/62/63/191236263.db2.gz NOROUBALWSFURL-DZGCQCFKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411970655 191235871 /nfs/dbraw/zinc/23/58/71/191235871.db2.gz NOROUBALWSFURL-HIFRSBDPSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411970656 191235472 /nfs/dbraw/zinc/23/54/72/191235472.db2.gz NOROUBALWSFURL-UKRRQHHQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411970657 191235469 /nfs/dbraw/zinc/23/54/69/191235469.db2.gz NOROUBALWSFURL-ZFWWWQNUSA-N 1 0 239.403 3.526 20 30 BHEDRO CC[N@H+](CCCC(C)(C)C#N)Cc1occc1C ZINC000412026286 191240064 /nfs/dbraw/zinc/24/00/64/191240064.db2.gz LDAJMVIGYNEKJT-UHFFFAOYSA-N 1 0 248.370 3.740 20 30 BHEDRO CC[N@H+](CCCC(C)(C)C#N)C1CC(C)(C)C1 ZINC000412034227 191247317 /nfs/dbraw/zinc/24/73/17/191247317.db2.gz JEJILIMVWSUNJN-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000412035664 191248251 /nfs/dbraw/zinc/24/82/51/191248251.db2.gz GHQAFLHFASNQSI-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CC(C)(C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000412035666 191246923 /nfs/dbraw/zinc/24/69/23/191246923.db2.gz GHQAFLHFASNQSI-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[N@H+](Cc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC000412039829 191249691 /nfs/dbraw/zinc/24/96/91/191249691.db2.gz QJBJHLNWYCQCEW-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412041954 191250427 /nfs/dbraw/zinc/25/04/27/191250427.db2.gz LXMUUNUJUJTURU-CHWSQXEVSA-N 1 0 242.366 3.740 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412041965 191249840 /nfs/dbraw/zinc/24/98/40/191249840.db2.gz LXMUUNUJUJTURU-OLZOCXBDSA-N 1 0 242.366 3.740 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412041968 191249987 /nfs/dbraw/zinc/24/99/87/191249987.db2.gz LXMUUNUJUJTURU-QWHCGFSZSA-N 1 0 242.366 3.740 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412041972 191250037 /nfs/dbraw/zinc/25/00/37/191250037.db2.gz LXMUUNUJUJTURU-STQMWFEESA-N 1 0 242.366 3.740 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412043896 191250525 /nfs/dbraw/zinc/25/05/25/191250525.db2.gz ODOXXHTXBBJUCD-CHWSQXEVSA-N 1 0 242.366 3.740 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412043897 191250221 /nfs/dbraw/zinc/25/02/21/191250221.db2.gz ODOXXHTXBBJUCD-OLZOCXBDSA-N 1 0 242.366 3.740 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412043900 191250302 /nfs/dbraw/zinc/25/03/02/191250302.db2.gz ODOXXHTXBBJUCD-QWHCGFSZSA-N 1 0 242.366 3.740 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412043902 191249857 /nfs/dbraw/zinc/24/98/57/191249857.db2.gz ODOXXHTXBBJUCD-STQMWFEESA-N 1 0 242.366 3.740 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000412044740 191251824 /nfs/dbraw/zinc/25/18/24/191251824.db2.gz YCTJBTOSVMQENJ-UHFFFAOYSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)[NH+](CCS[C@H](C)CCC#N)C(C)C ZINC000413005197 191338151 /nfs/dbraw/zinc/33/81/51/191338151.db2.gz YSHAURYUSCYSHZ-CYBMUJFWSA-N 1 0 242.432 3.531 20 30 BHEDRO CC(C)[NH+](CCS[C@@H](C)CCC#N)C(C)C ZINC000413005221 191338490 /nfs/dbraw/zinc/33/84/90/191338490.db2.gz YSHAURYUSCYSHZ-ZDUSSCGKSA-N 1 0 242.432 3.531 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414105770 385968013 /nfs/dbraw/zinc/96/80/13/385968013.db2.gz WSSFVWMHRVSIIF-CHWSQXEVSA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414105771 385967209 /nfs/dbraw/zinc/96/72/09/385967209.db2.gz WSSFVWMHRVSIIF-OLZOCXBDSA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414105772 385966875 /nfs/dbraw/zinc/96/68/75/385966875.db2.gz WSSFVWMHRVSIIF-QWHCGFSZSA-N 1 0 233.355 3.619 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414105773 385967240 /nfs/dbraw/zinc/96/72/40/385967240.db2.gz WSSFVWMHRVSIIF-STQMWFEESA-N 1 0 233.355 3.619 20 30 BHEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@H]1C[C@H]1C ZINC000414112815 386005857 /nfs/dbraw/zinc/00/58/57/386005857.db2.gz YDJMAASPLMYMOO-BFJAYTPKSA-N 1 0 242.366 3.666 20 30 BHEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@H]1C[C@H]1C ZINC000414112817 386005728 /nfs/dbraw/zinc/00/57/28/386005728.db2.gz YDJMAASPLMYMOO-LUYZLQTOSA-N 1 0 242.366 3.666 20 30 BHEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@H]1C[C@H]1C ZINC000414112818 386006114 /nfs/dbraw/zinc/00/61/14/386006114.db2.gz YDJMAASPLMYMOO-VDERGJSUSA-N 1 0 242.366 3.666 20 30 BHEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@H]1C[C@H]1C ZINC000414112819 386006991 /nfs/dbraw/zinc/00/69/91/386006991.db2.gz YDJMAASPLMYMOO-VRKREXBASA-N 1 0 242.366 3.666 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414139545 385987963 /nfs/dbraw/zinc/98/79/63/385987963.db2.gz JLEITQDWSYICCK-CYBMUJFWSA-N 1 0 233.355 3.620 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414139548 191440413 /nfs/dbraw/zinc/44/04/13/191440413.db2.gz JLEITQDWSYICCK-ZDUSSCGKSA-N 1 0 233.355 3.620 20 30 BHEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC1(C)C ZINC000414142375 385988877 /nfs/dbraw/zinc/98/88/77/385988877.db2.gz KMDOKMONBWIYOF-CVSAEHQPSA-N 1 0 248.414 3.731 20 30 BHEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC1(C)C ZINC000414142376 385989883 /nfs/dbraw/zinc/98/98/83/385989883.db2.gz KMDOKMONBWIYOF-NEXFUWMNSA-N 1 0 248.414 3.731 20 30 BHEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC1(C)C ZINC000414142377 191441505 /nfs/dbraw/zinc/44/15/05/191441505.db2.gz KMDOKMONBWIYOF-PFSRBDOWSA-N 1 0 248.414 3.731 20 30 BHEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC1(C)C ZINC000414142378 385989835 /nfs/dbraw/zinc/98/98/35/385989835.db2.gz KMDOKMONBWIYOF-WUCCLRPBSA-N 1 0 248.414 3.731 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414146924 385994188 /nfs/dbraw/zinc/99/41/88/385994188.db2.gz LOIKGZRNXCZZAR-CYBMUJFWSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414146925 385995670 /nfs/dbraw/zinc/99/56/70/385995670.db2.gz LOIKGZRNXCZZAR-ZDUSSCGKSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414155413 191447717 /nfs/dbraw/zinc/44/77/17/191447717.db2.gz UYUUNDFCIHOIBI-CYBMUJFWSA-N 1 0 233.355 3.620 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414155414 386004233 /nfs/dbraw/zinc/00/42/33/386004233.db2.gz UYUUNDFCIHOIBI-ZDUSSCGKSA-N 1 0 233.355 3.620 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000414158941 386041944 /nfs/dbraw/zinc/04/19/44/386041944.db2.gz AUEQIBPMMYDUEN-CYBMUJFWSA-N 1 0 244.382 3.839 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000414158942 386043835 /nfs/dbraw/zinc/04/38/35/386043835.db2.gz AUEQIBPMMYDUEN-ZDUSSCGKSA-N 1 0 244.382 3.839 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(F)c1 ZINC000414159617 386046422 /nfs/dbraw/zinc/04/64/22/386046422.db2.gz BQAJCGPFCVWOGN-AWEZNQCLSA-N 1 0 248.345 3.806 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(F)c1 ZINC000414159620 386045132 /nfs/dbraw/zinc/04/51/32/386045132.db2.gz BQAJCGPFCVWOGN-CQSZACIVSA-N 1 0 248.345 3.806 20 30 BHEDRO Cc1ccsc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414160132 386046031 /nfs/dbraw/zinc/04/60/31/386046031.db2.gz CPDARUHQYMCWFT-LLVKDONJSA-N 1 0 236.384 3.647 20 30 BHEDRO Cc1ccsc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414160133 386045812 /nfs/dbraw/zinc/04/58/12/386045812.db2.gz CPDARUHQYMCWFT-NSHDSACASA-N 1 0 236.384 3.647 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000414160442 386044476 /nfs/dbraw/zinc/04/44/76/386044476.db2.gz DCZNXNBRNDGRIS-HNNXBMFYSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000414160443 386045631 /nfs/dbraw/zinc/04/56/31/386045631.db2.gz DCZNXNBRNDGRIS-OAHLLOKOSA-N 1 0 242.366 3.667 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccco1 ZINC000414162148 386045145 /nfs/dbraw/zinc/04/51/45/386045145.db2.gz GNRQUGVQBGCIOR-CYBMUJFWSA-N 1 0 246.354 3.816 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(C)(C)CC#N)c1ccco1 ZINC000414162153 386045390 /nfs/dbraw/zinc/04/53/90/386045390.db2.gz GNRQUGVQBGCIOR-ZDUSSCGKSA-N 1 0 246.354 3.816 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1C ZINC000414162235 386045832 /nfs/dbraw/zinc/04/58/32/386045832.db2.gz GUKUBZHQAIXSJT-AWEZNQCLSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1C ZINC000414162237 386045896 /nfs/dbraw/zinc/04/58/96/386045896.db2.gz GUKUBZHQAIXSJT-CQSZACIVSA-N 1 0 244.382 3.894 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccsc1 ZINC000414162882 386046406 /nfs/dbraw/zinc/04/64/06/386046406.db2.gz HXCBNXSZTVBQJX-GFCCVEGCSA-N 1 0 236.384 3.729 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccsc1 ZINC000414162883 386044699 /nfs/dbraw/zinc/04/46/99/386044699.db2.gz HXCBNXSZTVBQJX-LBPRGKRZSA-N 1 0 236.384 3.729 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(C)c1 ZINC000414164158 386048535 /nfs/dbraw/zinc/04/85/35/386048535.db2.gz JRXBZLHUTCHCSF-HNNXBMFYSA-N 1 0 244.382 3.976 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(C)c1 ZINC000414164160 386049022 /nfs/dbraw/zinc/04/90/22/386049022.db2.gz JRXBZLHUTCHCSF-OAHLLOKOSA-N 1 0 244.382 3.976 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1cccs1 ZINC000414165382 386047849 /nfs/dbraw/zinc/04/78/49/386047849.db2.gz LSYOQEADMWQUAW-LLVKDONJSA-N 1 0 236.384 3.729 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1cccs1 ZINC000414165383 386048526 /nfs/dbraw/zinc/04/85/26/386048526.db2.gz LSYOQEADMWQUAW-NSHDSACASA-N 1 0 236.384 3.729 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000414165403 386047437 /nfs/dbraw/zinc/04/74/37/386047437.db2.gz LWRXPUMJHMOKOL-AWEZNQCLSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000414165404 386047065 /nfs/dbraw/zinc/04/70/65/386047065.db2.gz LWRXPUMJHMOKOL-CQSZACIVSA-N 1 0 244.382 3.894 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)c(C)n1)C1CC1 ZINC000414165710 191464274 /nfs/dbraw/zinc/46/42/74/191464274.db2.gz MKKRPYJMVWXQHD-INIZCTEOSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)C1CC1 ZINC000414165711 386047425 /nfs/dbraw/zinc/04/74/25/386047425.db2.gz MKKRPYJMVWXQHD-MRXNPFEDSA-N 1 0 244.382 3.533 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000414165723 386048640 /nfs/dbraw/zinc/04/86/40/386048640.db2.gz MMQRNKQDGRXGJD-CYBMUJFWSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000414165724 386047451 /nfs/dbraw/zinc/04/74/51/386047451.db2.gz MMQRNKQDGRXGJD-ZDUSSCGKSA-N 1 0 230.355 3.586 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)c2ccccc21 ZINC000414165993 386047866 /nfs/dbraw/zinc/04/78/66/386047866.db2.gz MTTMRSVRQFUGJV-DOMZBBRYSA-N 1 0 242.366 3.764 20 30 BHEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)c2ccccc21 ZINC000414165995 386048025 /nfs/dbraw/zinc/04/80/25/386048025.db2.gz MTTMRSVRQFUGJV-IUODEOHRSA-N 1 0 242.366 3.764 20 30 BHEDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)c2ccccc21 ZINC000414165996 386047297 /nfs/dbraw/zinc/04/72/97/386047297.db2.gz MTTMRSVRQFUGJV-SWLSCSKDSA-N 1 0 242.366 3.764 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)c2ccccc21 ZINC000414165997 386048796 /nfs/dbraw/zinc/04/87/96/386048796.db2.gz MTTMRSVRQFUGJV-WFASDCNBSA-N 1 0 242.366 3.764 20 30 BHEDRO Cc1cccc2c1CC[C@@H]2[NH2+]CC(C)(C)CC#N ZINC000414166310 386050014 /nfs/dbraw/zinc/05/00/14/386050014.db2.gz NGVXBIAYQARYSH-HNNXBMFYSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1cccc2c1CC[C@H]2[NH2+]CC(C)(C)CC#N ZINC000414166311 386050288 /nfs/dbraw/zinc/05/02/88/386050288.db2.gz NGVXBIAYQARYSH-OAHLLOKOSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414166606 386050453 /nfs/dbraw/zinc/05/04/53/386050453.db2.gz NXQDBHQCRCGQRT-CYBMUJFWSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414166607 191464180 /nfs/dbraw/zinc/46/41/80/191464180.db2.gz NXQDBHQCRCGQRT-ZDUSSCGKSA-N 1 0 230.355 3.586 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCc2ccccc21 ZINC000414167405 386051022 /nfs/dbraw/zinc/05/10/22/386051022.db2.gz PFAIXJASDPCQDJ-HNNXBMFYSA-N 1 0 242.366 3.593 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000414167409 386050940 /nfs/dbraw/zinc/05/09/40/386050940.db2.gz PFAIXJASDPCQDJ-OAHLLOKOSA-N 1 0 242.366 3.593 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414167856 386050978 /nfs/dbraw/zinc/05/09/78/386050978.db2.gz PXJFSCRZSHNSPV-KBPBESRZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414167857 191463922 /nfs/dbraw/zinc/46/39/22/191463922.db2.gz PXJFSCRZSHNSPV-KGLIPLIRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414167858 386050009 /nfs/dbraw/zinc/05/00/09/386050009.db2.gz PXJFSCRZSHNSPV-UONOGXRCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414167859 386050835 /nfs/dbraw/zinc/05/08/35/386050835.db2.gz PXJFSCRZSHNSPV-ZIAGYGMSSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1 ZINC000414168991 386017036 /nfs/dbraw/zinc/01/70/36/386017036.db2.gz RGDZPHFXQOGUFV-AWEZNQCLSA-N 1 0 248.345 3.806 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1 ZINC000414168992 386017345 /nfs/dbraw/zinc/01/73/45/386017345.db2.gz RGDZPHFXQOGUFV-CQSZACIVSA-N 1 0 248.345 3.806 20 30 BHEDRO Cc1ccc(C)c([C@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000414169377 386017307 /nfs/dbraw/zinc/01/73/07/386017307.db2.gz RQWOYDDGLXWCFR-AWEZNQCLSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000414169378 386016186 /nfs/dbraw/zinc/01/61/86/386016186.db2.gz RQWOYDDGLXWCFR-CQSZACIVSA-N 1 0 244.382 3.894 20 30 BHEDRO CC(C)[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000414169408 191450667 /nfs/dbraw/zinc/45/06/67/191450667.db2.gz RSXXBVSBFKWZIF-HNNXBMFYSA-N 1 0 244.382 3.913 20 30 BHEDRO CC(C)[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000414169412 386015780 /nfs/dbraw/zinc/01/57/80/386015780.db2.gz RSXXBVSBFKWZIF-OAHLLOKOSA-N 1 0 244.382 3.913 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000414170737 191451673 /nfs/dbraw/zinc/45/16/73/191451673.db2.gz TWBJLLVHNIPWGF-AWEZNQCLSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000414170738 386017441 /nfs/dbraw/zinc/01/74/41/386017441.db2.gz TWBJLLVHNIPWGF-CQSZACIVSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CC1(C)C ZINC000414171191 386017374 /nfs/dbraw/zinc/01/73/74/386017374.db2.gz WYZOSPGVTAQPGE-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CC1(C)C ZINC000414171192 191451375 /nfs/dbraw/zinc/45/13/75/191451375.db2.gz WYZOSPGVTAQPGE-OLZOCXBDSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CC1(C)C ZINC000414171193 386016238 /nfs/dbraw/zinc/01/62/38/386016238.db2.gz WYZOSPGVTAQPGE-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CC1(C)C ZINC000414171194 386015984 /nfs/dbraw/zinc/01/59/84/386015984.db2.gz WYZOSPGVTAQPGE-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)s1 ZINC000414171485 386016552 /nfs/dbraw/zinc/01/65/52/386016552.db2.gz UZJIPTBAHQXYIC-LLVKDONJSA-N 1 0 236.384 3.647 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)s1 ZINC000414171487 386017117 /nfs/dbraw/zinc/01/71/17/386017117.db2.gz UZJIPTBAHQXYIC-NSHDSACASA-N 1 0 236.384 3.647 20 30 BHEDRO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)CC#N)CC2 ZINC000414171750 386017493 /nfs/dbraw/zinc/01/74/93/386017493.db2.gz VEEBQXZHKUZNNU-OAHLLOKOSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)cs1 ZINC000414171825 191452828 /nfs/dbraw/zinc/45/28/28/191452828.db2.gz VKEVYDFRSNUXBN-LLVKDONJSA-N 1 0 236.384 3.647 20 30 BHEDRO Cc1cc([C@H](C)[NH2+]CC(C)(C)CC#N)cs1 ZINC000414171826 386017327 /nfs/dbraw/zinc/01/73/27/386017327.db2.gz VKEVYDFRSNUXBN-NSHDSACASA-N 1 0 236.384 3.647 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(C)cc1 ZINC000414172153 191452678 /nfs/dbraw/zinc/45/26/78/191452678.db2.gz VQKMUJMDGQILJQ-HNNXBMFYSA-N 1 0 244.382 3.976 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(C)cc1 ZINC000414172155 191452630 /nfs/dbraw/zinc/45/26/30/191452630.db2.gz VQKMUJMDGQILJQ-OAHLLOKOSA-N 1 0 244.382 3.976 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)C1CCCCC1 ZINC000414172640 386018231 /nfs/dbraw/zinc/01/82/31/386018231.db2.gz WGYBMBMPYUAPAU-AWEZNQCLSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)C1CCCCC1 ZINC000414172641 191452028 /nfs/dbraw/zinc/45/20/28/191452028.db2.gz WGYBMBMPYUAPAU-CQSZACIVSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000414173458 398218829 /nfs/dbraw/zinc/21/88/29/398218829.db2.gz XBNCBBFKYZJLOM-GFCCVEGCSA-N 1 0 248.395 3.655 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCc2sccc21 ZINC000414173461 398218935 /nfs/dbraw/zinc/21/89/35/398218935.db2.gz XBNCBBFKYZJLOM-LBPRGKRZSA-N 1 0 248.395 3.655 20 30 BHEDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC(C)(C)CC#N ZINC000414173749 398218927 /nfs/dbraw/zinc/21/89/27/398218927.db2.gz XHUPCIOKROOIFH-CHWSQXEVSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC[C@@H](C)[C@H](CC)[NH2+]CC(C)(C)CC#N ZINC000414173751 398219020 /nfs/dbraw/zinc/21/90/20/398219020.db2.gz XHUPCIOKROOIFH-OLZOCXBDSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)CC#N ZINC000414173752 191452104 /nfs/dbraw/zinc/45/21/04/191452104.db2.gz XHUPCIOKROOIFH-QWHCGFSZSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)CC#N ZINC000414173753 191452514 /nfs/dbraw/zinc/45/25/14/191452514.db2.gz XHUPCIOKROOIFH-STQMWFEESA-N 1 0 224.392 3.731 20 30 BHEDRO CCC[C@@H]([NH2+]CC(C)(C)CC#N)C(C)(C)C ZINC000414174080 398218987 /nfs/dbraw/zinc/21/89/87/398218987.db2.gz XTHBUHKPRFEDFA-GFCCVEGCSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC[C@H]([NH2+]CC(C)(C)CC#N)C(C)(C)C ZINC000414174082 398218842 /nfs/dbraw/zinc/21/88/42/398218842.db2.gz XTHBUHKPRFEDFA-LBPRGKRZSA-N 1 0 224.392 3.731 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000414174300 398219679 /nfs/dbraw/zinc/21/96/79/398219679.db2.gz XXWKZBUURISJPN-CYBMUJFWSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000414174303 398219694 /nfs/dbraw/zinc/21/96/94/398219694.db2.gz XXWKZBUURISJPN-ZDUSSCGKSA-N 1 0 230.355 3.586 20 30 BHEDRO CC(C)CC[C@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000414174501 398219624 /nfs/dbraw/zinc/21/96/24/398219624.db2.gz YBDAEBKXKDCHNI-AWEZNQCLSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CC[C@@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000414174502 191452072 /nfs/dbraw/zinc/45/20/72/191452072.db2.gz YBDAEBKXKDCHNI-CQSZACIVSA-N 1 0 236.403 3.731 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)c(C)c1 ZINC000414175783 386020176 /nfs/dbraw/zinc/02/01/76/386020176.db2.gz ZRHYSMCNJJOAEY-AWEZNQCLSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)c(C)c1 ZINC000414175785 386020352 /nfs/dbraw/zinc/02/03/52/386020352.db2.gz ZRHYSMCNJJOAEY-CQSZACIVSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+]CC(C)(C)CC#N)c1C ZINC000414176001 386020149 /nfs/dbraw/zinc/02/01/49/386020149.db2.gz ZYTJVAGVAWOQBO-AWEZNQCLSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CC#N)c1C ZINC000414176004 386020893 /nfs/dbraw/zinc/02/08/93/386020893.db2.gz ZYTJVAGVAWOQBO-CQSZACIVSA-N 1 0 244.382 3.894 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414219753 386074040 /nfs/dbraw/zinc/07/40/40/386074040.db2.gz BNYQQOAOQMPXED-AVGNSLFASA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414219754 386072260 /nfs/dbraw/zinc/07/22/60/386072260.db2.gz BNYQQOAOQMPXED-RWMBFGLXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414219755 386072548 /nfs/dbraw/zinc/07/25/48/386072548.db2.gz BNYQQOAOQMPXED-XQQFMLRXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000414219756 386073977 /nfs/dbraw/zinc/07/39/77/386073977.db2.gz BNYQQOAOQMPXED-YNEHKIRRSA-N 1 0 227.417 3.605 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000414221017 386072869 /nfs/dbraw/zinc/07/28/69/386072869.db2.gz KFZKEBXBLUVDMH-CWRNSKLLSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000414221020 386071971 /nfs/dbraw/zinc/07/19/71/386071971.db2.gz KFZKEBXBLUVDMH-FVQBIDKESA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000414221022 386072159 /nfs/dbraw/zinc/07/21/59/386072159.db2.gz KFZKEBXBLUVDMH-NUEKZKHPSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000414221024 191472255 /nfs/dbraw/zinc/47/22/55/191472255.db2.gz KFZKEBXBLUVDMH-VNQPRFMTSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000414224737 386075129 /nfs/dbraw/zinc/07/51/29/386075129.db2.gz AYZSJOIXWDFHTG-AEGPPILISA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000414224738 386076276 /nfs/dbraw/zinc/07/62/76/386076276.db2.gz AYZSJOIXWDFHTG-QEJZJMRPSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000414224739 386076221 /nfs/dbraw/zinc/07/62/21/386076221.db2.gz AYZSJOIXWDFHTG-SNPRPXQTSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000414224740 191473679 /nfs/dbraw/zinc/47/36/79/191473679.db2.gz AYZSJOIXWDFHTG-VHDGCEQUSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414237206 191464989 /nfs/dbraw/zinc/46/49/89/191464989.db2.gz WHMJLROMURZDQI-AGIUHOORSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414237208 191465452 /nfs/dbraw/zinc/46/54/52/191465452.db2.gz WHMJLROMURZDQI-AVGNSLFASA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CS[C@H](C)C1 ZINC000414237210 386053443 /nfs/dbraw/zinc/05/34/43/386053443.db2.gz WHMJLROMURZDQI-FRRDWIJNSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414237211 386053226 /nfs/dbraw/zinc/05/32/26/386053226.db2.gz WHMJLROMURZDQI-RWMBFGLXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414239485 386053086 /nfs/dbraw/zinc/05/30/86/386053086.db2.gz YVACOBMTXOKSIL-CYBMUJFWSA-N 1 0 246.398 3.823 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414239486 191465424 /nfs/dbraw/zinc/46/54/24/191465424.db2.gz YVACOBMTXOKSIL-ZDUSSCGKSA-N 1 0 246.398 3.823 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)OCC1CC1 ZINC000414249851 386056679 /nfs/dbraw/zinc/05/66/79/386056679.db2.gz AQJLWGALXOEGNJ-AWEZNQCLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)OCC1CC1 ZINC000414249853 386057590 /nfs/dbraw/zinc/05/75/90/386057590.db2.gz AQJLWGALXOEGNJ-CQSZACIVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414259858 191476439 /nfs/dbraw/zinc/47/64/39/191476439.db2.gz FYKXVGBADUWZAM-DCAQKATOSA-N 1 0 237.309 3.765 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414259860 386081610 /nfs/dbraw/zinc/08/16/10/386081610.db2.gz FYKXVGBADUWZAM-GARJFASQSA-N 1 0 237.309 3.765 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000414259861 386082556 /nfs/dbraw/zinc/08/25/56/386082556.db2.gz FYKXVGBADUWZAM-OUAUKWLOSA-N 1 0 237.309 3.765 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000414259862 386082906 /nfs/dbraw/zinc/08/29/06/386082906.db2.gz FYKXVGBADUWZAM-VWYCJHECSA-N 1 0 237.309 3.765 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414264104 386083730 /nfs/dbraw/zinc/08/37/30/386083730.db2.gz QDOJQCBJIMGRTQ-AJNGGQMLSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414264108 386083748 /nfs/dbraw/zinc/08/37/48/386083748.db2.gz QDOJQCBJIMGRTQ-XGUBFFRZSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414264111 386084724 /nfs/dbraw/zinc/08/47/24/386084724.db2.gz QDOJQCBJIMGRTQ-XQLPTFJDSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414264113 191476973 /nfs/dbraw/zinc/47/69/73/191476973.db2.gz QDOJQCBJIMGRTQ-YJNKXOJESA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414280481 386092501 /nfs/dbraw/zinc/09/25/01/386092501.db2.gz LKFFOWVDESICEG-AJNGGQMLSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414280482 191479857 /nfs/dbraw/zinc/47/98/57/191479857.db2.gz LKFFOWVDESICEG-KBXIAJHMSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414280483 191480076 /nfs/dbraw/zinc/48/00/76/191480076.db2.gz LKFFOWVDESICEG-QPSCCSFWSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414280484 191479541 /nfs/dbraw/zinc/47/95/41/191479541.db2.gz LKFFOWVDESICEG-XGUBFFRZSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1CC1 ZINC000414289906 191483097 /nfs/dbraw/zinc/48/30/97/191483097.db2.gz WKKPXKHDUKZOPP-CMPLNLGQSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1CC1 ZINC000414289907 386099169 /nfs/dbraw/zinc/09/91/69/386099169.db2.gz WKKPXKHDUKZOPP-JQWIXIFHSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)C1CC1 ZINC000414289908 386098817 /nfs/dbraw/zinc/09/88/17/386098817.db2.gz WKKPXKHDUKZOPP-PWSUYJOCSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](C)CC(F)(F)F)C1CC1 ZINC000414289909 386098918 /nfs/dbraw/zinc/09/89/18/386098918.db2.gz WKKPXKHDUKZOPP-ZYHUDNBSSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000414290573 386101148 /nfs/dbraw/zinc/10/11/48/386101148.db2.gz ABVXJTFMTDGFRU-BBRMVZONSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000414290574 386101224 /nfs/dbraw/zinc/10/12/24/386101224.db2.gz ABVXJTFMTDGFRU-CJNGLKHVSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000414290575 386101976 /nfs/dbraw/zinc/10/19/76/386101976.db2.gz ABVXJTFMTDGFRU-CZUORRHYSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000414290576 386101551 /nfs/dbraw/zinc/10/15/51/386101551.db2.gz ABVXJTFMTDGFRU-XJKSGUPXSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CC ZINC000414292292 386100724 /nfs/dbraw/zinc/10/07/24/386100724.db2.gz BYKZYVLBYGTJAO-DZGCQCFKSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CC ZINC000414292294 386101986 /nfs/dbraw/zinc/10/19/86/386101986.db2.gz BYKZYVLBYGTJAO-HIFRSBDPSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)CC ZINC000414292296 386100431 /nfs/dbraw/zinc/10/04/31/386100431.db2.gz BYKZYVLBYGTJAO-UKRRQHHQSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CC ZINC000414292298 386101808 /nfs/dbraw/zinc/10/18/08/386101808.db2.gz BYKZYVLBYGTJAO-ZFWWWQNUSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](C)CC(F)(F)F ZINC000414292604 386101411 /nfs/dbraw/zinc/10/14/11/386101411.db2.gz YPGBACIWSVAFQU-GHMZBOCLSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H](C)CC(F)(F)F ZINC000414292605 386100718 /nfs/dbraw/zinc/10/07/18/386100718.db2.gz YPGBACIWSVAFQU-MNOVXSKESA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414292607 386100301 /nfs/dbraw/zinc/10/03/01/386100301.db2.gz YPGBACIWSVAFQU-QWRGUYRKSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414292608 191483080 /nfs/dbraw/zinc/48/30/80/191483080.db2.gz YPGBACIWSVAFQU-WDEREUQCSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1F)C1CC1 ZINC000414298644 386106696 /nfs/dbraw/zinc/10/66/96/386106696.db2.gz ZFKMAUNIUTXGIG-HZSPNIEDSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)C1CC1 ZINC000414298645 386106996 /nfs/dbraw/zinc/10/69/96/386106996.db2.gz ZFKMAUNIUTXGIG-MGPQQGTHSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000414299779 386109333 /nfs/dbraw/zinc/10/93/33/386109333.db2.gz KCSMXVQQODMPKP-OGVSOVDVSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000414299782 191484964 /nfs/dbraw/zinc/48/49/64/191484964.db2.gz KCSMXVQQODMPKP-SIWZUTFBSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414303661 191495239 /nfs/dbraw/zinc/49/52/39/191495239.db2.gz LUUAWSALFHKNFX-KBPBESRZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414303663 386138571 /nfs/dbraw/zinc/13/85/71/386138571.db2.gz LUUAWSALFHKNFX-KGLIPLIRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414303665 386137918 /nfs/dbraw/zinc/13/79/18/386137918.db2.gz LUUAWSALFHKNFX-UONOGXRCSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414303668 386137492 /nfs/dbraw/zinc/13/74/92/386137492.db2.gz LUUAWSALFHKNFX-ZIAGYGMSSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000414303835 386137003 /nfs/dbraw/zinc/13/70/03/386137003.db2.gz OCALAINZOMJJBV-INIZCTEOSA-N 1 0 229.367 3.706 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000414303837 386138406 /nfs/dbraw/zinc/13/84/06/386138406.db2.gz OCALAINZOMJJBV-MRXNPFEDSA-N 1 0 229.367 3.706 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000414306891 386110344 /nfs/dbraw/zinc/11/03/44/386110344.db2.gz RPYNZENARVUSHQ-BARDWOONSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000414306895 191485952 /nfs/dbraw/zinc/48/59/52/191485952.db2.gz RPYNZENARVUSHQ-TUVASFSCSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000414306896 386111673 /nfs/dbraw/zinc/11/16/73/386111673.db2.gz RPYNZENARVUSHQ-XQLPTFJDSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000414306897 386110890 /nfs/dbraw/zinc/11/08/90/386110890.db2.gz RPYNZENARVUSHQ-YJNKXOJESA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C1CCC(COC)CC1 ZINC000414308263 386111715 /nfs/dbraw/zinc/11/17/15/386111715.db2.gz IAQZUDFNRDTLPO-SHARSMKWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C1CCC(COC)CC1 ZINC000414308267 191487130 /nfs/dbraw/zinc/48/71/30/191487130.db2.gz IAQZUDFNRDTLPO-SLTAFYQDSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414312570 191488149 /nfs/dbraw/zinc/48/81/49/191488149.db2.gz WSXPYQWVLSNIMF-KBPBESRZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414312571 191488351 /nfs/dbraw/zinc/48/83/51/191488351.db2.gz WSXPYQWVLSNIMF-KGLIPLIRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414312573 191487641 /nfs/dbraw/zinc/48/76/41/191487641.db2.gz WSXPYQWVLSNIMF-UONOGXRCSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414312575 191488183 /nfs/dbraw/zinc/48/81/83/191488183.db2.gz WSXPYQWVLSNIMF-ZIAGYGMSSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)c1cccnc1 ZINC000414324758 386120277 /nfs/dbraw/zinc/12/02/77/386120277.db2.gz BTAWWTNHVOKZLO-HNNXBMFYSA-N 1 0 246.398 3.694 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)c1cccnc1 ZINC000414324759 386120180 /nfs/dbraw/zinc/12/01/80/386120180.db2.gz BTAWWTNHVOKZLO-OAHLLOKOSA-N 1 0 246.398 3.694 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414333816 191492550 /nfs/dbraw/zinc/49/25/50/191492550.db2.gz HXDBLSOTFKHLPA-BFHYXJOUSA-N 1 0 233.355 3.860 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414333819 386126255 /nfs/dbraw/zinc/12/62/55/386126255.db2.gz HXDBLSOTFKHLPA-MGPQQGTHSA-N 1 0 233.355 3.860 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414341497 386131913 /nfs/dbraw/zinc/13/19/13/386131913.db2.gz VXCDZONESZYPSA-KBPBESRZSA-N 1 0 246.398 3.550 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414341499 386132214 /nfs/dbraw/zinc/13/22/14/386132214.db2.gz VXCDZONESZYPSA-KGLIPLIRSA-N 1 0 246.398 3.550 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414341502 386133353 /nfs/dbraw/zinc/13/33/53/386133353.db2.gz VXCDZONESZYPSA-UONOGXRCSA-N 1 0 246.398 3.550 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414341503 386131383 /nfs/dbraw/zinc/13/13/83/386131383.db2.gz VXCDZONESZYPSA-ZIAGYGMSSA-N 1 0 246.398 3.550 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414345499 386135575 /nfs/dbraw/zinc/13/55/75/386135575.db2.gz LDOREPBRTWOFSM-BFHYXJOUSA-N 1 0 233.355 3.860 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414345500 386135956 /nfs/dbraw/zinc/13/59/56/386135956.db2.gz LDOREPBRTWOFSM-MGPQQGTHSA-N 1 0 233.355 3.860 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414377477 397915003 /nfs/dbraw/zinc/91/50/03/397915003.db2.gz JFXBFMLCTXAUQC-JTQLQIEISA-N 1 0 243.272 3.678 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414377479 397914858 /nfs/dbraw/zinc/91/48/58/397914858.db2.gz JFXBFMLCTXAUQC-SNVBAGLBSA-N 1 0 243.272 3.678 20 30 BHEDRO CCC(CC)CN(CCC#N)Cc1ccoc1C ZINC000414382955 386228393 /nfs/dbraw/zinc/22/83/93/386228393.db2.gz QFVIPJJEXNHMNW-UHFFFAOYSA-N 1 0 248.370 3.740 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000414479281 191519454 /nfs/dbraw/zinc/51/94/54/191519454.db2.gz HBZBVKPSGCLFFO-CABCVRRESA-N 1 0 248.414 3.732 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000414479282 386681646 /nfs/dbraw/zinc/68/16/46/386681646.db2.gz HBZBVKPSGCLFFO-GJZGRUSLSA-N 1 0 248.414 3.732 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000414479283 191519464 /nfs/dbraw/zinc/51/94/64/191519464.db2.gz HBZBVKPSGCLFFO-HUUCEWRRSA-N 1 0 248.414 3.732 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000414479284 386682909 /nfs/dbraw/zinc/68/29/09/386682909.db2.gz HBZBVKPSGCLFFO-LSDHHAIUSA-N 1 0 248.414 3.732 20 30 BHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000414528217 385672172 /nfs/dbraw/zinc/67/21/72/385672172.db2.gz AMOQYXSXYQIPRK-HNNXBMFYSA-N 1 0 241.334 3.557 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000414528218 385672707 /nfs/dbraw/zinc/67/27/07/385672707.db2.gz AMOQYXSXYQIPRK-OAHLLOKOSA-N 1 0 241.334 3.557 20 30 BHEDRO CC[N@H+](CC(C)(C)CCC#N)C1CC(C)(C)C1 ZINC000414531057 385681160 /nfs/dbraw/zinc/68/11/60/385681160.db2.gz FOKXIJVUIAOWEM-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)s1)C1CC(C)(C)C1 ZINC000414533933 388664397 /nfs/dbraw/zinc/66/43/97/388664397.db2.gz JFYCUPVAJHDUTC-UHFFFAOYSA-N 1 0 248.395 3.630 20 30 BHEDRO CC[N@H+](Cc1cc(C#N)cs1)C1CC(C)(C)C1 ZINC000414539129 388664802 /nfs/dbraw/zinc/66/48/02/388664802.db2.gz RPHGHYMUEAFASR-UHFFFAOYSA-N 1 0 248.395 3.630 20 30 BHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]CCSCC ZINC000414541793 385709391 /nfs/dbraw/zinc/70/93/91/385709391.db2.gz WTFMWPZEGGRISL-HNNXBMFYSA-N 1 0 249.423 3.517 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]CCSCC ZINC000414541794 385709454 /nfs/dbraw/zinc/70/94/54/385709454.db2.gz WTFMWPZEGGRISL-OAHLLOKOSA-N 1 0 249.423 3.517 20 30 BHEDRO CC[N@H+](Cc1occc1C)CC(C)(C)CCC#N ZINC000414547742 385726023 /nfs/dbraw/zinc/72/60/23/385726023.db2.gz IDAZCIYJGSLMNO-UHFFFAOYSA-N 1 0 248.370 3.740 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414941820 386889130 /nfs/dbraw/zinc/88/91/30/386889130.db2.gz YXXWYGAILHJPPH-BLLLJJGKSA-N 1 0 244.382 3.591 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414941822 191628605 /nfs/dbraw/zinc/62/86/05/191628605.db2.gz YXXWYGAILHJPPH-LRDDRELGSA-N 1 0 244.382 3.591 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414941823 191628088 /nfs/dbraw/zinc/62/80/88/191628088.db2.gz YXXWYGAILHJPPH-MLGOLLRUSA-N 1 0 244.382 3.591 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414941828 386878627 /nfs/dbraw/zinc/87/86/27/386878627.db2.gz YXXWYGAILHJPPH-WBMJQRKESA-N 1 0 244.382 3.591 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H]1C[C@H]1c1cccs1 ZINC000417300308 386477046 /nfs/dbraw/zinc/47/70/46/386477046.db2.gz AKTKPDZCOKDOCK-FRRDWIJNSA-N 1 0 248.395 3.524 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1C[C@H]1c1cccs1 ZINC000417300309 386477268 /nfs/dbraw/zinc/47/72/68/386477268.db2.gz AKTKPDZCOKDOCK-RWMBFGLXSA-N 1 0 248.395 3.524 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417309684 386481489 /nfs/dbraw/zinc/48/14/89/386481489.db2.gz JTMPVOHKNFVCNB-FVCCEPFGSA-N 1 0 235.396 3.794 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417309685 191787323 /nfs/dbraw/zinc/78/73/23/191787323.db2.gz JTMPVOHKNFVCNB-MROQNXINSA-N 1 0 235.396 3.794 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417309686 386481248 /nfs/dbraw/zinc/48/12/48/386481248.db2.gz JTMPVOHKNFVCNB-QNWHQSFQSA-N 1 0 235.396 3.794 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417309687 386480396 /nfs/dbraw/zinc/48/03/96/386480396.db2.gz JTMPVOHKNFVCNB-ZDEQEGDKSA-N 1 0 235.396 3.794 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccco1 ZINC000417331103 386501603 /nfs/dbraw/zinc/50/16/03/386501603.db2.gz BFEBGSBNNFCCOA-CHWSQXEVSA-N 1 0 231.339 3.677 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CC12CC2)c1ccco1 ZINC000417331107 386501518 /nfs/dbraw/zinc/50/15/18/386501518.db2.gz BFEBGSBNNFCCOA-OLZOCXBDSA-N 1 0 231.339 3.677 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccco1 ZINC000417331108 386501598 /nfs/dbraw/zinc/50/15/98/386501598.db2.gz BFEBGSBNNFCCOA-QWHCGFSZSA-N 1 0 231.339 3.677 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccco1 ZINC000417331109 386501725 /nfs/dbraw/zinc/50/17/25/386501725.db2.gz BFEBGSBNNFCCOA-STQMWFEESA-N 1 0 231.339 3.677 20 30 BHEDRO C=CCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417336108 386504798 /nfs/dbraw/zinc/50/47/98/386504798.db2.gz UZJHEVNRRFUVGK-FRRDWIJNSA-N 1 0 235.396 3.796 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417336116 191794807 /nfs/dbraw/zinc/79/48/07/191794807.db2.gz UZJHEVNRRFUVGK-RWMBFGLXSA-N 1 0 235.396 3.796 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CC12CC2 ZINC000417337215 386503917 /nfs/dbraw/zinc/50/39/17/386503917.db2.gz LBCLEOOCPUQOOL-CHWSQXEVSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CC12CC2 ZINC000417337216 386504019 /nfs/dbraw/zinc/50/40/19/386504019.db2.gz LBCLEOOCPUQOOL-OLZOCXBDSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CC12CC2 ZINC000417337217 386504595 /nfs/dbraw/zinc/50/45/95/386504595.db2.gz LBCLEOOCPUQOOL-QWHCGFSZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC12CC2 ZINC000417337218 191795513 /nfs/dbraw/zinc/79/55/13/191795513.db2.gz LBCLEOOCPUQOOL-STQMWFEESA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417345297 386485833 /nfs/dbraw/zinc/48/58/33/386485833.db2.gz XNRXVXCEXDUDGL-CHWSQXEVSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417345298 386484983 /nfs/dbraw/zinc/48/49/83/386484983.db2.gz XNRXVXCEXDUDGL-OLZOCXBDSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000417345299 191789908 /nfs/dbraw/zinc/78/99/08/191789908.db2.gz XNRXVXCEXDUDGL-QWHCGFSZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000417345300 386485966 /nfs/dbraw/zinc/48/59/66/386485966.db2.gz XNRXVXCEXDUDGL-STQMWFEESA-N 1 0 207.361 3.511 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC1(C)C ZINC000417350282 191790322 /nfs/dbraw/zinc/79/03/22/191790322.db2.gz PFBVLDMIHOCXJQ-AJNGGQMLSA-N 1 0 248.414 3.873 20 30 BHEDRO CCC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC1(C)C ZINC000417350283 386487166 /nfs/dbraw/zinc/48/71/66/386487166.db2.gz PFBVLDMIHOCXJQ-BYNSBNAKSA-N 1 0 248.414 3.873 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC1(C)C ZINC000417350284 386488212 /nfs/dbraw/zinc/48/82/12/386488212.db2.gz PFBVLDMIHOCXJQ-XQLPTFJDSA-N 1 0 248.414 3.873 20 30 BHEDRO CCC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC1(C)C ZINC000417350285 386488094 /nfs/dbraw/zinc/48/80/94/386488094.db2.gz PFBVLDMIHOCXJQ-ZQDZILKHSA-N 1 0 248.414 3.873 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417352717 386489876 /nfs/dbraw/zinc/48/98/76/386489876.db2.gz VRQXMBKAQJPWOQ-FRRDWIJNSA-N 1 0 235.396 3.796 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417352720 386490427 /nfs/dbraw/zinc/49/04/27/386490427.db2.gz VRQXMBKAQJPWOQ-RWMBFGLXSA-N 1 0 235.396 3.796 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354442 386489703 /nfs/dbraw/zinc/48/97/03/386489703.db2.gz ZJUAFJVUEMLYOV-FRRDWIJNSA-N 1 0 235.396 3.796 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354443 386490373 /nfs/dbraw/zinc/49/03/73/386490373.db2.gz ZJUAFJVUEMLYOV-RWMBFGLXSA-N 1 0 235.396 3.796 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1COCc2ccccc21 ZINC000417355460 386494234 /nfs/dbraw/zinc/49/42/34/386494234.db2.gz DJNDGUUCKMUPTN-GDBMZVCRSA-N 1 0 245.366 3.592 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1COCc2ccccc21 ZINC000417355471 386492943 /nfs/dbraw/zinc/49/29/43/386492943.db2.gz DJNDGUUCKMUPTN-GOEBONIOSA-N 1 0 245.366 3.592 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1COCc2ccccc21 ZINC000417355472 386493443 /nfs/dbraw/zinc/49/34/43/386493443.db2.gz DJNDGUUCKMUPTN-HOCLYGCPSA-N 1 0 245.366 3.592 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1COCc2ccccc21 ZINC000417355560 386493947 /nfs/dbraw/zinc/49/39/47/386493947.db2.gz DJNDGUUCKMUPTN-ZBFHGGJFSA-N 1 0 245.366 3.592 20 30 BHEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CC1(C)C ZINC000417400719 191826907 /nfs/dbraw/zinc/82/69/07/191826907.db2.gz KYHYAULFNNQQJA-IOSBVQAASA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CC1(C)C ZINC000417400731 387022007 /nfs/dbraw/zinc/02/20/07/387022007.db2.gz KYHYAULFNNQQJA-IQXANGCESA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CC1(C)C ZINC000417400733 387021460 /nfs/dbraw/zinc/02/14/60/387021460.db2.gz KYHYAULFNNQQJA-MYMJJRTCSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CC1(C)C ZINC000417401080 387016473 /nfs/dbraw/zinc/01/64/73/387016473.db2.gz KYHYAULFNNQQJA-WJEHIRDRSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418050748 387069004 /nfs/dbraw/zinc/06/90/04/387069004.db2.gz WYBLDJCIVIBFHO-JYJNAYRXSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418050749 387068774 /nfs/dbraw/zinc/06/87/74/387068774.db2.gz WYBLDJCIVIBFHO-XHSDSOJGSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CC(C)(C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418080268 387089138 /nfs/dbraw/zinc/08/91/38/387089138.db2.gz ZOBNXWBTLQVHHW-GJZGRUSLSA-N 1 0 229.367 3.592 20 30 BHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CC1(C)C ZINC000418108190 388675046 /nfs/dbraw/zinc/67/50/46/388675046.db2.gz QSWFDRREILITEQ-CHWSQXEVSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CC1(C)C ZINC000418108193 388675420 /nfs/dbraw/zinc/67/54/20/388675420.db2.gz QSWFDRREILITEQ-OLZOCXBDSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CC1(C)C ZINC000418108194 388674461 /nfs/dbraw/zinc/67/44/61/388674461.db2.gz QSWFDRREILITEQ-QWHCGFSZSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CC1(C)C ZINC000418108195 388675038 /nfs/dbraw/zinc/67/50/38/388675038.db2.gz QSWFDRREILITEQ-STQMWFEESA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CC1(C)C ZINC000418109249 388674829 /nfs/dbraw/zinc/67/48/29/388674829.db2.gz TVSKGERMWWLDJY-CHWSQXEVSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CC1(C)C ZINC000418109250 388674834 /nfs/dbraw/zinc/67/48/34/388674834.db2.gz TVSKGERMWWLDJY-OLZOCXBDSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CC1(C)C ZINC000418109251 191975198 /nfs/dbraw/zinc/97/51/98/191975198.db2.gz TVSKGERMWWLDJY-QWHCGFSZSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CC1(C)C ZINC000418109252 191975187 /nfs/dbraw/zinc/97/51/87/191975187.db2.gz TVSKGERMWWLDJY-STQMWFEESA-N 1 0 248.395 3.534 20 30 BHEDRO N#CC1(C[NH2+]CCC2CCCCCC2)CCC1 ZINC000418138598 397988752 /nfs/dbraw/zinc/98/87/52/397988752.db2.gz GNINLQYLZQEZGI-UHFFFAOYSA-N 1 0 234.387 3.630 20 30 BHEDRO N#CC1(C[NH2+]CCCC2CCCCC2)CCC1 ZINC000418138677 397988709 /nfs/dbraw/zinc/98/87/09/397988709.db2.gz GVUIWJQVQQESEQ-UHFFFAOYSA-N 1 0 234.387 3.630 20 30 BHEDRO N#CC1(C[NH2+]C2CCC3(CCCC3)CC2)CCC1 ZINC000418140631 387164730 /nfs/dbraw/zinc/16/47/30/387164730.db2.gz JUTXGQZDWQRZGS-UHFFFAOYSA-N 1 0 246.398 3.773 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CCCC23CCCCC3)CCC1 ZINC000418141825 387164852 /nfs/dbraw/zinc/16/48/52/387164852.db2.gz MBBRBQFICCZEGT-AWEZNQCLSA-N 1 0 246.398 3.773 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CCCC23CCCCC3)CCC1 ZINC000418141828 387164568 /nfs/dbraw/zinc/16/45/68/387164568.db2.gz MBBRBQFICCZEGT-CQSZACIVSA-N 1 0 246.398 3.773 20 30 BHEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)C1CCCCCC1 ZINC000418142198 387165298 /nfs/dbraw/zinc/16/52/98/387165298.db2.gz MHKGGKNLZIRUPL-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H]([NH2+]CC1(C#N)CCC1)C1CCCCCC1 ZINC000418142201 387163690 /nfs/dbraw/zinc/16/36/90/387163690.db2.gz MHKGGKNLZIRUPL-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)CC(CC(C)C)[NH2+]CC1(C#N)CCC1 ZINC000418142727 387164099 /nfs/dbraw/zinc/16/40/99/387164099.db2.gz NOSTYESYTKTURP-UHFFFAOYSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418143087 387164331 /nfs/dbraw/zinc/16/43/31/387164331.db2.gz OSABQXLBYZBOOP-KBPBESRZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418143088 387163858 /nfs/dbraw/zinc/16/38/58/387163858.db2.gz OSABQXLBYZBOOP-KGLIPLIRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418143089 387164260 /nfs/dbraw/zinc/16/42/60/387164260.db2.gz OSABQXLBYZBOOP-UONOGXRCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418143090 387165549 /nfs/dbraw/zinc/16/55/49/387165549.db2.gz OSABQXLBYZBOOP-ZIAGYGMSSA-N 1 0 236.403 3.731 20 30 BHEDRO CCCC1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418143096 387163649 /nfs/dbraw/zinc/16/36/49/387163649.db2.gz OSXXWUCDCCFHQP-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC[C@H]([NH2+]CC1(C#N)CCC1)C1CCCC1 ZINC000418143121 387165575 /nfs/dbraw/zinc/16/55/75/387165575.db2.gz OXQJMAMGOADNMT-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC[C@@H]([NH2+]CC1(C#N)CCC1)C1CCCC1 ZINC000418143122 387165695 /nfs/dbraw/zinc/16/56/95/387165695.db2.gz OXQJMAMGOADNMT-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@H](C)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418143930 388674615 /nfs/dbraw/zinc/67/46/15/388674615.db2.gz JOGGPHSCQORRKF-BLLLJJGKSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[C@H](C)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418143932 388674917 /nfs/dbraw/zinc/67/49/17/388674917.db2.gz JOGGPHSCQORRKF-LRDDRELGSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[C@@H](C)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418143933 388675298 /nfs/dbraw/zinc/67/52/98/388675298.db2.gz JOGGPHSCQORRKF-MLGOLLRUSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[C@@H](C)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418143934 388675357 /nfs/dbraw/zinc/67/53/57/388675357.db2.gz JOGGPHSCQORRKF-WBMJQRKESA-N 1 0 242.366 3.571 20 30 BHEDRO CCC1(C)CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418144303 387167484 /nfs/dbraw/zinc/16/74/84/387167484.db2.gz SLLYVWQUGOITEF-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H](CCC1CCCC1)[NH2+]CC1(C#N)CCC1 ZINC000418144680 387168100 /nfs/dbraw/zinc/16/81/00/387168100.db2.gz UPBJSFVZYBSRPK-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H](CCC1CCCC1)[NH2+]CC1(C#N)CCC1 ZINC000418144681 387166846 /nfs/dbraw/zinc/16/68/46/387166846.db2.gz UPBJSFVZYBSRPK-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C[N@H+](CCCCC#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419321969 192121219 /nfs/dbraw/zinc/12/12/19/192121219.db2.gz GQCPFPCMMRVXSK-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](CCCCC#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419321970 192121358 /nfs/dbraw/zinc/12/13/58/192121358.db2.gz GQCPFPCMMRVXSK-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](CCCCC#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419321971 192121086 /nfs/dbraw/zinc/12/10/86/192121086.db2.gz GQCPFPCMMRVXSK-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](CCCCC#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419321972 192121477 /nfs/dbraw/zinc/12/14/77/192121477.db2.gz GQCPFPCMMRVXSK-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419324157 192121330 /nfs/dbraw/zinc/12/13/30/192121330.db2.gz ACZDBWLEHOMUNS-GFCCVEGCSA-N 1 0 215.340 3.791 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419324158 192121457 /nfs/dbraw/zinc/12/14/57/192121457.db2.gz ACZDBWLEHOMUNS-LBPRGKRZSA-N 1 0 215.340 3.791 20 30 BHEDRO CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CC1(C)C ZINC000419326566 192122684 /nfs/dbraw/zinc/12/26/84/192122684.db2.gz YIDLSWPSIBTKOI-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CC1(C)C ZINC000419326567 192122561 /nfs/dbraw/zinc/12/25/61/192122561.db2.gz YIDLSWPSIBTKOI-OLZOCXBDSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CC1(C)C ZINC000419326568 192121974 /nfs/dbraw/zinc/12/19/74/192121974.db2.gz YIDLSWPSIBTKOI-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CC1(C)C ZINC000419326569 192122293 /nfs/dbraw/zinc/12/22/93/192122293.db2.gz YIDLSWPSIBTKOI-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419335014 192124282 /nfs/dbraw/zinc/12/42/82/192124282.db2.gz HBBRIDRNRPKALI-GFCCVEGCSA-N 1 0 215.340 3.791 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419335015 192124805 /nfs/dbraw/zinc/12/48/05/192124805.db2.gz HBBRIDRNRPKALI-LBPRGKRZSA-N 1 0 215.340 3.791 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419335582 192125358 /nfs/dbraw/zinc/12/53/58/192125358.db2.gz HXZOHKSLNYWKKG-AAVRWANBSA-N 1 0 242.366 3.596 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419335583 192124619 /nfs/dbraw/zinc/12/46/19/192124619.db2.gz HXZOHKSLNYWKKG-XJFOESAGSA-N 1 0 242.366 3.596 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419335584 192124623 /nfs/dbraw/zinc/12/46/23/192124623.db2.gz HXZOHKSLNYWKKG-YIYPIFLZSA-N 1 0 242.366 3.596 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419335585 192125247 /nfs/dbraw/zinc/12/52/47/192125247.db2.gz HXZOHKSLNYWKKG-ZOBORPQBSA-N 1 0 242.366 3.596 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(C2CC2)cc1 ZINC000419339631 192124487 /nfs/dbraw/zinc/12/44/87/192124487.db2.gz MFZRTSNTRPLKRF-GFCCVEGCSA-N 1 0 228.339 3.518 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1ccc(C2CC2)cc1 ZINC000419339632 192124336 /nfs/dbraw/zinc/12/43/36/192124336.db2.gz MFZRTSNTRPLKRF-LBPRGKRZSA-N 1 0 228.339 3.518 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419341248 192125505 /nfs/dbraw/zinc/12/55/05/192125505.db2.gz ODNQSUHZDFRMDV-CHWSQXEVSA-N 1 0 242.366 3.907 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419341249 192125390 /nfs/dbraw/zinc/12/53/90/192125390.db2.gz ODNQSUHZDFRMDV-OLZOCXBDSA-N 1 0 242.366 3.907 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccc(C2CC2)cc1 ZINC000419341250 192126012 /nfs/dbraw/zinc/12/60/12/192126012.db2.gz ODNQSUHZDFRMDV-QWHCGFSZSA-N 1 0 242.366 3.907 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419341251 192125949 /nfs/dbraw/zinc/12/59/49/192125949.db2.gz ODNQSUHZDFRMDV-STQMWFEESA-N 1 0 242.366 3.907 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(C2CC2)cc1 ZINC000419363368 192127720 /nfs/dbraw/zinc/12/77/20/192127720.db2.gz VUIZSUVXDMAXFO-CYBMUJFWSA-N 1 0 242.366 3.908 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(C2CC2)cc1 ZINC000419363369 192128289 /nfs/dbraw/zinc/12/82/89/192128289.db2.gz VUIZSUVXDMAXFO-ZDUSSCGKSA-N 1 0 242.366 3.908 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419375508 192129462 /nfs/dbraw/zinc/12/94/62/192129462.db2.gz RQOHSLGUGXSINP-AAVRWANBSA-N 1 0 242.366 3.596 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419375509 192129669 /nfs/dbraw/zinc/12/96/69/192129669.db2.gz RQOHSLGUGXSINP-XJFOESAGSA-N 1 0 242.366 3.596 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419375510 192129344 /nfs/dbraw/zinc/12/93/44/192129344.db2.gz RQOHSLGUGXSINP-YIYPIFLZSA-N 1 0 242.366 3.596 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419375511 192129027 /nfs/dbraw/zinc/12/90/27/192129027.db2.gz RQOHSLGUGXSINP-ZOBORPQBSA-N 1 0 242.366 3.596 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420939765 192288078 /nfs/dbraw/zinc/28/80/78/192288078.db2.gz CHTYISQAKCORLW-LLVKDONJSA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420939773 192288199 /nfs/dbraw/zinc/28/81/99/192288199.db2.gz CHTYISQAKCORLW-NSHDSACASA-N 1 0 235.293 3.617 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420950043 192276775 /nfs/dbraw/zinc/27/67/75/192276775.db2.gz PKRIIZPEWXDRJS-LLVKDONJSA-N 1 0 235.293 3.617 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420950044 192275464 /nfs/dbraw/zinc/27/54/64/192275464.db2.gz PKRIIZPEWXDRJS-NSHDSACASA-N 1 0 235.293 3.617 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955425 192280084 /nfs/dbraw/zinc/28/00/84/192280084.db2.gz WLUTXBLTJGFCNG-LLVKDONJSA-N 1 0 235.293 3.617 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955428 192279414 /nfs/dbraw/zinc/27/94/14/192279414.db2.gz WLUTXBLTJGFCNG-NSHDSACASA-N 1 0 235.293 3.617 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420959773 192281362 /nfs/dbraw/zinc/28/13/62/192281362.db2.gz FKZXADZCLTUAIY-HNNXBMFYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420959776 192282215 /nfs/dbraw/zinc/28/22/15/192282215.db2.gz FKZXADZCLTUAIY-OAHLLOKOSA-N 1 0 248.414 3.828 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420989346 192292733 /nfs/dbraw/zinc/29/27/33/192292733.db2.gz BZUIDDWJONGMSB-CYBMUJFWSA-N 1 0 239.309 3.939 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420989347 192292098 /nfs/dbraw/zinc/29/20/98/192292098.db2.gz BZUIDDWJONGMSB-ZDUSSCGKSA-N 1 0 239.309 3.939 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420989761 192291771 /nfs/dbraw/zinc/29/17/71/192291771.db2.gz YVGFSXIDUUGVBL-GFCCVEGCSA-N 1 0 225.282 3.549 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420989762 192291438 /nfs/dbraw/zinc/29/14/38/192291438.db2.gz YVGFSXIDUUGVBL-LBPRGKRZSA-N 1 0 225.282 3.549 20 30 BHEDRO C=CCC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420996701 192294712 /nfs/dbraw/zinc/29/47/12/192294712.db2.gz QWAPEEDYDDSNBA-GFCCVEGCSA-N 1 0 225.282 3.549 20 30 BHEDRO C=CCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420996703 192293508 /nfs/dbraw/zinc/29/35/08/192293508.db2.gz QWAPEEDYDDSNBA-LBPRGKRZSA-N 1 0 225.282 3.549 20 30 BHEDRO C=CCCC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420996809 192294650 /nfs/dbraw/zinc/29/46/50/192294650.db2.gz RDJPJZGJWREDCS-CYBMUJFWSA-N 1 0 239.309 3.939 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420996810 192294483 /nfs/dbraw/zinc/29/44/83/192294483.db2.gz RDJPJZGJWREDCS-ZDUSSCGKSA-N 1 0 239.309 3.939 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421001474 192296221 /nfs/dbraw/zinc/29/62/21/192296221.db2.gz WZPINCUWMSSQPX-CYBMUJFWSA-N 1 0 239.309 3.939 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421001475 192296851 /nfs/dbraw/zinc/29/68/51/192296851.db2.gz WZPINCUWMSSQPX-ZDUSSCGKSA-N 1 0 239.309 3.939 20 30 BHEDRO CC(C)[N@H+](CCCC#N)[C@H](C)c1ccsc1 ZINC000421008423 192299999 /nfs/dbraw/zinc/29/99/99/192299999.db2.gz MGAYNXDEYLHAHI-GFCCVEGCSA-N 1 0 236.384 3.823 20 30 BHEDRO CC(C)[N@H+](CCCC#N)[C@@H](C)c1ccsc1 ZINC000421008429 192299296 /nfs/dbraw/zinc/29/92/96/192299296.db2.gz MGAYNXDEYLHAHI-LBPRGKRZSA-N 1 0 236.384 3.823 20 30 BHEDRO C=CC[N@@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421008993 192299629 /nfs/dbraw/zinc/29/96/29/192299629.db2.gz MQLMOVJYNVIPRE-LLVKDONJSA-N 1 0 209.358 3.706 20 30 BHEDRO C=CC[N@@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421009010 192300741 /nfs/dbraw/zinc/30/07/41/192300741.db2.gz MQLMOVJYNVIPRE-NSHDSACASA-N 1 0 209.358 3.706 20 30 BHEDRO CC#CC[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421011801 192299890 /nfs/dbraw/zinc/29/98/90/192299890.db2.gz PLYWVAAVMXVHQE-GFCCVEGCSA-N 1 0 221.369 3.543 20 30 BHEDRO CC#CC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421011802 192299323 /nfs/dbraw/zinc/29/93/23/192299323.db2.gz PLYWVAAVMXVHQE-LBPRGKRZSA-N 1 0 221.369 3.543 20 30 BHEDRO CC(C)N(CC1(C#N)CC1)[C@H](C)c1ccsc1 ZINC000421020037 192304916 /nfs/dbraw/zinc/30/49/16/192304916.db2.gz YNDYHVOTGQUKLG-GFCCVEGCSA-N 1 0 248.395 3.823 20 30 BHEDRO CC(C)N(CC1(C#N)CC1)[C@@H](C)c1ccsc1 ZINC000421020040 192303935 /nfs/dbraw/zinc/30/39/35/192303935.db2.gz YNDYHVOTGQUKLG-LBPRGKRZSA-N 1 0 248.395 3.823 20 30 BHEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000421022048 192305355 /nfs/dbraw/zinc/30/53/55/192305355.db2.gz PJLBZXMWEYWFQA-HNNXBMFYSA-N 1 0 242.366 3.558 20 30 BHEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000421022049 192306832 /nfs/dbraw/zinc/30/68/32/192306832.db2.gz PJLBZXMWEYWFQA-OAHLLOKOSA-N 1 0 242.366 3.558 20 30 BHEDRO CCCC(CCC)[NH2+]Cc1ccc(C#N)s1 ZINC000421345786 192319791 /nfs/dbraw/zinc/31/97/91/192319791.db2.gz BGHMUDNOBWVRDY-UHFFFAOYSA-N 1 0 236.384 3.678 20 30 BHEDRO C[C@H](CC1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC000421347812 192319641 /nfs/dbraw/zinc/31/96/41/192319641.db2.gz DGFHXXHKWAUXQG-LLVKDONJSA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC000421347813 192320032 /nfs/dbraw/zinc/32/00/32/192320032.db2.gz DGFHXXHKWAUXQG-NSHDSACASA-N 1 0 248.395 3.678 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000421348103 192320162 /nfs/dbraw/zinc/32/01/62/192320162.db2.gz DYFKLGOAKKQRMG-GYSYKLTISA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000421348104 192319947 /nfs/dbraw/zinc/31/99/47/192319947.db2.gz DYFKLGOAKKQRMG-JTNHKYCSSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000421348105 192319874 /nfs/dbraw/zinc/31/98/74/192319874.db2.gz DYFKLGOAKKQRMG-SUNKGSAMSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000421348106 192319395 /nfs/dbraw/zinc/31/93/95/192319395.db2.gz DYFKLGOAKKQRMG-UHIISALHSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421349320 192319379 /nfs/dbraw/zinc/31/93/79/192319379.db2.gz IHXFCSURSVPQEP-GWCFXTLKSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421349321 192319795 /nfs/dbraw/zinc/31/97/95/192319795.db2.gz IHXFCSURSVPQEP-GXFFZTMASA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421349322 192319696 /nfs/dbraw/zinc/31/96/96/192319696.db2.gz IHXFCSURSVPQEP-MFKMUULPSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421349323 192319575 /nfs/dbraw/zinc/31/95/75/192319575.db2.gz IHXFCSURSVPQEP-ZWNOBZJWSA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421352614 192320899 /nfs/dbraw/zinc/32/08/99/192320899.db2.gz RCMXCVNIYMPWHR-KBPBESRZSA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421352615 192320610 /nfs/dbraw/zinc/32/06/10/192320610.db2.gz RCMXCVNIYMPWHR-KGLIPLIRSA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421352616 192320855 /nfs/dbraw/zinc/32/08/55/192320855.db2.gz RCMXCVNIYMPWHR-UONOGXRCSA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421352619 192321063 /nfs/dbraw/zinc/32/10/63/192321063.db2.gz RCMXCVNIYMPWHR-ZIAGYGMSSA-N 1 0 248.395 3.534 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000421354091 192321084 /nfs/dbraw/zinc/32/10/84/192321084.db2.gz VHOBZLZNMYZHDB-LLVKDONJSA-N 1 0 236.384 3.678 20 30 BHEDRO CCCC[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000421354092 192320466 /nfs/dbraw/zinc/32/04/66/192320466.db2.gz VHOBZLZNMYZHDB-NSHDSACASA-N 1 0 236.384 3.678 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C#N)s1 ZINC000421354618 192321286 /nfs/dbraw/zinc/32/12/86/192321286.db2.gz WXOZSCJLYMMYEI-GFCCVEGCSA-N 1 0 248.395 3.844 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc(C#N)s1 ZINC000421354619 192322270 /nfs/dbraw/zinc/32/22/70/192322270.db2.gz WXOZSCJLYMMYEI-LBPRGKRZSA-N 1 0 248.395 3.844 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CC2(C1)CCCCC2 ZINC000421364517 192333811 /nfs/dbraw/zinc/33/38/11/192333811.db2.gz OVOYYHSKXIJEPZ-GFCCVEGCSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CC2(C1)CCCCC2 ZINC000421364518 192333771 /nfs/dbraw/zinc/33/37/71/192333771.db2.gz OVOYYHSKXIJEPZ-LBPRGKRZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421368207 192333651 /nfs/dbraw/zinc/33/36/51/192333651.db2.gz BOKMYIPIOGYNNA-HNNXBMFYSA-N 1 0 232.371 3.533 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421368208 192333386 /nfs/dbraw/zinc/33/33/86/192333386.db2.gz BOKMYIPIOGYNNA-OAHLLOKOSA-N 1 0 232.371 3.533 20 30 BHEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000421375216 192322403 /nfs/dbraw/zinc/32/24/03/192322403.db2.gz CDJSKSKUIBXOAL-UHFFFAOYSA-N 1 0 242.366 3.593 20 30 BHEDRO CC(C)(CC#N)C[NH2+]C1CC2(C1)CCCCC2 ZINC000421382124 192326007 /nfs/dbraw/zinc/32/60/07/192326007.db2.gz LYEIIMNBJSHERF-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C=C(C)CC[NH2+]C1CC2(C1)CCCCC2 ZINC000421385655 192326690 /nfs/dbraw/zinc/32/66/90/192326690.db2.gz QSYAWVLFSXNHSC-UHFFFAOYSA-N 1 0 207.361 3.655 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000421394856 192330054 /nfs/dbraw/zinc/33/00/54/192330054.db2.gz UFLOZIBXQQUQFD-HNNXBMFYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000421394857 192329792 /nfs/dbraw/zinc/32/97/92/192329792.db2.gz UFLOZIBXQQUQFD-OAHLLOKOSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000421396771 192329878 /nfs/dbraw/zinc/32/98/78/192329878.db2.gz ZRZKIIWTSXQYTE-KKUMJFAQSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000421396772 192329115 /nfs/dbraw/zinc/32/91/15/192329115.db2.gz ZRZKIIWTSXQYTE-RRFJBIMHSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000421396773 192328966 /nfs/dbraw/zinc/32/89/66/192328966.db2.gz ZRZKIIWTSXQYTE-SOUVJXGZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000421396774 192328953 /nfs/dbraw/zinc/32/89/53/192328953.db2.gz ZRZKIIWTSXQYTE-ZNMIVQPWSA-N 1 0 239.403 3.669 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421830993 192388513 /nfs/dbraw/zinc/38/85/13/192388513.db2.gz CGNKIIIBOLXBGY-NXEZZACHSA-N 1 0 241.737 3.574 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421830995 192388408 /nfs/dbraw/zinc/38/84/08/192388408.db2.gz CGNKIIIBOLXBGY-UWVGGRQHSA-N 1 0 241.737 3.574 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421830996 192387823 /nfs/dbraw/zinc/38/78/23/192387823.db2.gz CGNKIIIBOLXBGY-VHSXEESVSA-N 1 0 241.737 3.574 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421830998 192387751 /nfs/dbraw/zinc/38/77/51/192387751.db2.gz CGNKIIIBOLXBGY-ZJUUUORDSA-N 1 0 241.737 3.574 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421832892 192391436 /nfs/dbraw/zinc/39/14/36/192391436.db2.gz GSGFKZFMLFXZOY-NXEZZACHSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421832893 192391369 /nfs/dbraw/zinc/39/13/69/192391369.db2.gz GSGFKZFMLFXZOY-UWVGGRQHSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421832895 192391015 /nfs/dbraw/zinc/39/10/15/192391015.db2.gz GSGFKZFMLFXZOY-VHSXEESVSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421832897 192390923 /nfs/dbraw/zinc/39/09/23/192390923.db2.gz GSGFKZFMLFXZOY-ZJUUUORDSA-N 1 0 239.746 3.574 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421845471 192393205 /nfs/dbraw/zinc/39/32/05/192393205.db2.gz XIEIQYGPEBVJSL-LLVKDONJSA-N 1 0 238.762 3.742 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421845473 192392857 /nfs/dbraw/zinc/39/28/57/192392857.db2.gz XIEIQYGPEBVJSL-NSHDSACASA-N 1 0 238.762 3.742 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)C1(OC)CCCC1 ZINC000421852357 192389800 /nfs/dbraw/zinc/38/98/00/192389800.db2.gz HDUCLIJGWUOGMW-CYBMUJFWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000421852358 192389963 /nfs/dbraw/zinc/38/99/63/192389963.db2.gz HDUCLIJGWUOGMW-ZDUSSCGKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421855341 192389315 /nfs/dbraw/zinc/38/93/15/192389315.db2.gz MIHUCQJMUKAQLT-JTQLQIEISA-N 1 0 238.762 3.598 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421855342 192389365 /nfs/dbraw/zinc/38/93/65/192389365.db2.gz MIHUCQJMUKAQLT-SNVBAGLBSA-N 1 0 238.762 3.598 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccncc1Cl ZINC000421862578 192396600 /nfs/dbraw/zinc/39/66/00/192396600.db2.gz XIMAOPUYTCVSMQ-GHMZBOCLSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccncc1Cl ZINC000421862601 192395994 /nfs/dbraw/zinc/39/59/94/192395994.db2.gz XIMAOPUYTCVSMQ-MNOVXSKESA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421862602 192395910 /nfs/dbraw/zinc/39/59/10/192395910.db2.gz XIMAOPUYTCVSMQ-QWRGUYRKSA-N 1 0 238.762 3.740 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421862603 192395931 /nfs/dbraw/zinc/39/59/31/192395931.db2.gz XIMAOPUYTCVSMQ-WDEREUQCSA-N 1 0 238.762 3.740 20 30 BHEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421873234 192397848 /nfs/dbraw/zinc/39/78/48/192397848.db2.gz HGWXSOQFPGTRTC-CHWSQXEVSA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421873242 192398241 /nfs/dbraw/zinc/39/82/41/192398241.db2.gz HGWXSOQFPGTRTC-OLZOCXBDSA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421873244 192398369 /nfs/dbraw/zinc/39/83/69/192398369.db2.gz HGWXSOQFPGTRTC-QWHCGFSZSA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421873247 192398468 /nfs/dbraw/zinc/39/84/68/192398468.db2.gz HGWXSOQFPGTRTC-STQMWFEESA-N 1 0 248.395 3.534 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1cc(C)nc(C)c1)C1CC1 ZINC000421877482 527485585 /nfs/dbraw/zinc/48/55/85/527485585.db2.gz KSTXCLVQOFBATA-INIZCTEOSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)C1CC1 ZINC000421877483 527450081 /nfs/dbraw/zinc/45/00/81/527450081.db2.gz KSTXCLVQOFBATA-MRXNPFEDSA-N 1 0 244.382 3.533 20 30 BHEDRO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421881848 192399079 /nfs/dbraw/zinc/39/90/79/192399079.db2.gz PHPUUYXDGWEQOO-BXUZGUMPSA-N 1 0 248.395 3.678 20 30 BHEDRO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421881850 192399224 /nfs/dbraw/zinc/39/92/24/192399224.db2.gz PHPUUYXDGWEQOO-FZMZJTMJSA-N 1 0 248.395 3.678 20 30 BHEDRO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421881853 192399496 /nfs/dbraw/zinc/39/94/96/192399496.db2.gz PHPUUYXDGWEQOO-RISCZKNCSA-N 1 0 248.395 3.678 20 30 BHEDRO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421881854 192399637 /nfs/dbraw/zinc/39/96/37/192399637.db2.gz PHPUUYXDGWEQOO-SMDDNHRTSA-N 1 0 248.395 3.678 20 30 BHEDRO CC[C@@H](C)C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000421892180 398310459 /nfs/dbraw/zinc/31/04/59/398310459.db2.gz WJWHBAKUBQEDTR-DOMZBBRYSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@@H](C)C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000421892183 398310450 /nfs/dbraw/zinc/31/04/50/398310450.db2.gz WJWHBAKUBQEDTR-IUODEOHRSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H](C)CC)c1ccc(C#N)cc1 ZINC000421892184 398310436 /nfs/dbraw/zinc/31/04/36/398310436.db2.gz WJWHBAKUBQEDTR-SWLSCSKDSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@H](C)C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000421892185 398310470 /nfs/dbraw/zinc/31/04/70/398310470.db2.gz WJWHBAKUBQEDTR-WFASDCNBSA-N 1 0 230.355 3.645 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)CCN2 ZINC000423213363 387994579 /nfs/dbraw/zinc/99/45/79/387994579.db2.gz JWLSYVODLGOMJI-NEPJUHHUSA-N 1 0 230.355 3.667 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)CCN2 ZINC000423213364 387995471 /nfs/dbraw/zinc/99/54/71/387995471.db2.gz JWLSYVODLGOMJI-NWDGAFQWSA-N 1 0 230.355 3.667 20 30 BHEDRO C=CC[C@H](C)[C@H](C)Nc1ccc2c(c1)CCN2 ZINC000423213365 387995899 /nfs/dbraw/zinc/99/58/99/387995899.db2.gz JWLSYVODLGOMJI-RYUDHWBXSA-N 1 0 230.355 3.667 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)CCN2 ZINC000423213366 387995002 /nfs/dbraw/zinc/99/50/02/387995002.db2.gz JWLSYVODLGOMJI-VXGBXAGGSA-N 1 0 230.355 3.667 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423487852 387333504 /nfs/dbraw/zinc/33/35/04/387333504.db2.gz XWFAZDVECNDKRR-AWEZNQCLSA-N 1 0 246.398 3.802 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423487853 387333181 /nfs/dbraw/zinc/33/31/81/387333181.db2.gz XWFAZDVECNDKRR-CQSZACIVSA-N 1 0 246.398 3.802 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423489035 387333133 /nfs/dbraw/zinc/33/31/33/387333133.db2.gz ZZRNRPOAAYBFHL-INIZCTEOSA-N 1 0 246.398 3.802 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423489036 387333248 /nfs/dbraw/zinc/33/32/48/387333248.db2.gz ZZRNRPOAAYBFHL-MRXNPFEDSA-N 1 0 246.398 3.802 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000424116378 387558993 /nfs/dbraw/zinc/55/89/93/387558993.db2.gz BJYBFQXBLPPUQZ-UHIISALHSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000424116895 387558262 /nfs/dbraw/zinc/55/82/62/387558262.db2.gz BXPFCRJRTNJABF-GRYCIOLGSA-N 1 0 248.757 3.683 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424129649 206033063 /nfs/dbraw/zinc/03/30/63/206033063.db2.gz SJFNTXFMHPPIAK-GLQYFDAESA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424129655 206033483 /nfs/dbraw/zinc/03/34/83/206033483.db2.gz SJFNTXFMHPPIAK-NILFDRSVSA-N 1 0 246.329 3.559 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000424131884 206031922 /nfs/dbraw/zinc/03/19/22/206031922.db2.gz VSBRGSYOUDXVEW-UHIISALHSA-N 1 0 248.757 3.683 20 30 BHEDRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000424135682 387656233 /nfs/dbraw/zinc/65/62/33/387656233.db2.gz ZRQITGVJWLGOLV-QLFBSQMISA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000424135703 387655458 /nfs/dbraw/zinc/65/54/58/387655458.db2.gz ZRQITGVJWLGOLV-SOUVJXGZSA-N 1 0 242.366 3.646 20 30 BHEDRO CC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCCCC1 ZINC000424188811 387911851 /nfs/dbraw/zinc/91/18/51/387911851.db2.gz CLRXDYOANUWQEE-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424190745 411245556 /nfs/dbraw/zinc/24/55/56/411245556.db2.gz GHYOVYPUKXISEG-GOEBONIOSA-N 1 0 242.366 3.592 20 30 BHEDRO CCCC1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424193827 206034526 /nfs/dbraw/zinc/03/45/26/206034526.db2.gz KYAQCNMHFUIOKS-OOJKYFRXSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)CC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424195102 387918144 /nfs/dbraw/zinc/91/81/44/387918144.db2.gz CJUHRRCVDXGTPP-CAOSSQGBSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424195103 387917345 /nfs/dbraw/zinc/91/73/45/387917345.db2.gz CJUHRRCVDXGTPP-FXUDXRNXSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424195104 387918133 /nfs/dbraw/zinc/91/81/33/387918133.db2.gz CJUHRRCVDXGTPP-QKPAOTATSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424195105 200885751 /nfs/dbraw/zinc/88/57/51/200885751.db2.gz CJUHRRCVDXGTPP-YHUYYLMFSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424195367 387920516 /nfs/dbraw/zinc/92/05/16/387920516.db2.gz CTHGNJHZPSBJFF-CAOSSQGBSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)C[C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424195369 200885567 /nfs/dbraw/zinc/88/55/67/200885567.db2.gz CTHGNJHZPSBJFF-FXUDXRNXSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424195371 387919465 /nfs/dbraw/zinc/91/94/65/387919465.db2.gz CTHGNJHZPSBJFF-QKPAOTATSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424195373 387919769 /nfs/dbraw/zinc/91/97/69/387919769.db2.gz CTHGNJHZPSBJFF-YHUYYLMFSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1C ZINC000424199883 387928418 /nfs/dbraw/zinc/92/84/18/387928418.db2.gz QMMJWEYIDWCAGR-CWVYHPPDSA-N 1 0 248.414 3.729 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000424199886 387928614 /nfs/dbraw/zinc/92/86/14/387928614.db2.gz QMMJWEYIDWCAGR-GVRJEKJASA-N 1 0 248.414 3.729 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1C ZINC000424199889 200886697 /nfs/dbraw/zinc/88/66/97/200886697.db2.gz QMMJWEYIDWCAGR-JKJDWNRSSA-N 1 0 248.414 3.729 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000424199892 200886885 /nfs/dbraw/zinc/88/68/85/200886885.db2.gz QMMJWEYIDWCAGR-RBZJEDDUSA-N 1 0 248.414 3.729 20 30 BHEDRO CC(C)(C)C1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424202100 206035848 /nfs/dbraw/zinc/03/58/48/206035848.db2.gz SHCQLKMPGQWSOT-VXGQWTEUSA-N 1 0 248.414 3.873 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000424207280 398176653 /nfs/dbraw/zinc/17/66/53/398176653.db2.gz XVCRARANZIMRJO-HIFRSBDPSA-N 1 0 246.398 3.771 20 30 BHEDRO N#CCCC[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000424270378 387948685 /nfs/dbraw/zinc/94/86/85/387948685.db2.gz BJVZMFSRBCBLDI-HNNXBMFYSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCCC[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000424270379 387947662 /nfs/dbraw/zinc/94/76/62/387947662.db2.gz BJVZMFSRBCBLDI-OAHLLOKOSA-N 1 0 234.387 3.629 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424281333 387950926 /nfs/dbraw/zinc/95/09/26/387950926.db2.gz ILPFZHNTQBVKCO-NXEZZACHSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424281335 387951060 /nfs/dbraw/zinc/95/10/60/387951060.db2.gz ILPFZHNTQBVKCO-UWVGGRQHSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000424281336 387950840 /nfs/dbraw/zinc/95/08/40/387950840.db2.gz ILPFZHNTQBVKCO-VHSXEESVSA-N 1 0 239.746 3.574 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000424281338 387951236 /nfs/dbraw/zinc/95/12/36/387951236.db2.gz ILPFZHNTQBVKCO-ZJUUUORDSA-N 1 0 239.746 3.574 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424316744 387967891 /nfs/dbraw/zinc/96/78/91/387967891.db2.gz BHUGOTIGLGWJCK-IVMMDQJWSA-N 1 0 242.366 3.592 20 30 BHEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000424317272 200908349 /nfs/dbraw/zinc/90/83/49/200908349.db2.gz BQIREXNXUUYOKR-CFVMTHIKSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000424317273 387967185 /nfs/dbraw/zinc/96/71/85/387967185.db2.gz BQIREXNXUUYOKR-NWANDNLSSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000424317274 387967936 /nfs/dbraw/zinc/96/79/36/387967936.db2.gz BQQDFEWYLXQAIF-BFHYXJOUSA-N 1 0 244.338 3.569 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000424317275 387967675 /nfs/dbraw/zinc/96/76/75/387967675.db2.gz BQQDFEWYLXQAIF-MJBXVCDLSA-N 1 0 244.338 3.569 20 30 BHEDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424317520 387968352 /nfs/dbraw/zinc/96/83/52/387968352.db2.gz BZPDSGKTNIGQQL-IACUBPJLSA-N 1 0 248.395 3.871 20 30 BHEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424317521 387967698 /nfs/dbraw/zinc/96/76/98/387967698.db2.gz BZPDSGKTNIGQQL-YUTCNCBUSA-N 1 0 248.395 3.871 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1C ZINC000424320617 387969828 /nfs/dbraw/zinc/96/98/28/387969828.db2.gz GARRVQQRUQPECS-QLFBSQMISA-N 1 0 242.366 3.646 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424321104 387969574 /nfs/dbraw/zinc/96/95/74/387969574.db2.gz GREGSLVVMTWMML-CAOSSQGBSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424321106 387969618 /nfs/dbraw/zinc/96/96/18/387969618.db2.gz GREGSLVVMTWMML-JJXSEGSLSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424321108 387968912 /nfs/dbraw/zinc/96/89/12/387968912.db2.gz GREGSLVVMTWMML-JONQDZQNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424321109 387969297 /nfs/dbraw/zinc/96/92/97/387969297.db2.gz GREGSLVVMTWMML-ZJIFWQFVSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC000424321152 200910292 /nfs/dbraw/zinc/91/02/92/200910292.db2.gz GTMICBMTIHBCGV-RRFJBIMHSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC000424321153 387969077 /nfs/dbraw/zinc/96/90/77/387969077.db2.gz GTMICBMTIHBCGV-SOUVJXGZSA-N 1 0 219.372 3.509 20 30 BHEDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424321678 387969061 /nfs/dbraw/zinc/96/90/61/387969061.db2.gz HPZUUUOPYYBURE-BCUIYNNISA-N 1 0 240.350 3.517 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424321679 387968992 /nfs/dbraw/zinc/96/89/92/387968992.db2.gz HPZUUUOPYYBURE-IATRGZMQSA-N 1 0 240.350 3.517 20 30 BHEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424321680 387968825 /nfs/dbraw/zinc/96/88/25/387968825.db2.gz HPZUUUOPYYBURE-JFILPPLUSA-N 1 0 240.350 3.517 20 30 BHEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424321681 387968951 /nfs/dbraw/zinc/96/89/51/387968951.db2.gz HPZUUUOPYYBURE-OQMKEHIESA-N 1 0 240.350 3.517 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000424324982 387973719 /nfs/dbraw/zinc/97/37/19/387973719.db2.gz KOFDYTYTKVWHLP-GRYCIOLGSA-N 1 0 248.395 3.653 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000424324984 387973944 /nfs/dbraw/zinc/97/39/44/387973944.db2.gz KOFDYTYTKVWHLP-SDDRHHMPSA-N 1 0 248.395 3.653 20 30 BHEDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000424325428 387973657 /nfs/dbraw/zinc/97/36/57/387973657.db2.gz KSNUMAYDEFRHEJ-IJEWVQPXSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000424325504 387973128 /nfs/dbraw/zinc/97/31/28/387973128.db2.gz LEUGCIQZFYHLKX-QLFBSQMISA-N 1 0 242.366 3.646 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424325520 387973430 /nfs/dbraw/zinc/97/34/30/387973430.db2.gz NSOCTSUHDWICBJ-AEGPPILISA-N 1 0 233.330 3.568 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424325521 387973316 /nfs/dbraw/zinc/97/33/16/387973316.db2.gz NSOCTSUHDWICBJ-CFVMTHIKSA-N 1 0 233.330 3.568 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424325522 387973665 /nfs/dbraw/zinc/97/36/65/387973665.db2.gz NSOCTSUHDWICBJ-NWANDNLSSA-N 1 0 233.330 3.568 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424325523 387973981 /nfs/dbraw/zinc/97/39/81/387973981.db2.gz NSOCTSUHDWICBJ-QEJZJMRPSA-N 1 0 233.330 3.568 20 30 BHEDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424325957 387974219 /nfs/dbraw/zinc/97/42/19/387974219.db2.gz LKDSQNQXFZVZEC-NUEKZKHPSA-N 1 0 242.366 3.810 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000424326498 387973478 /nfs/dbraw/zinc/97/34/78/387973478.db2.gz LWFVGLAPSJYNOS-CFVMTHIKSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000424326499 200911109 /nfs/dbraw/zinc/91/11/09/200911109.db2.gz LWFVGLAPSJYNOS-NWANDNLSSA-N 1 0 234.387 3.627 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000424327134 387973815 /nfs/dbraw/zinc/97/38/15/387973815.db2.gz MPBBMCXXXJTYER-ILXRZTDVSA-N 1 0 246.398 3.771 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000424327135 387973891 /nfs/dbraw/zinc/97/38/91/387973891.db2.gz MPBBMCXXXJTYER-QLFBSQMISA-N 1 0 246.398 3.771 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000424328008 359728617 /nfs/dbraw/zinc/72/86/17/359728617.db2.gz NPJFTHCZKCNCLA-YWPYICTPSA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000424328009 359728364 /nfs/dbraw/zinc/72/83/64/359728364.db2.gz NPJFTHCZKCNCLA-ZOWXZIJZSA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000424329102 206037462 /nfs/dbraw/zinc/03/74/62/206037462.db2.gz OZMXGOBKPGSDBJ-GLQYFDAESA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000424329103 206036853 /nfs/dbraw/zinc/03/68/53/206036853.db2.gz OZMXGOBKPGSDBJ-NILFDRSVSA-N 1 0 246.329 3.559 20 30 BHEDRO CCC1(C)CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424330426 387975934 /nfs/dbraw/zinc/97/59/34/387975934.db2.gz QOBIMDZMYJPZDC-FGZQJIAISA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330791 387975298 /nfs/dbraw/zinc/97/52/98/387975298.db2.gz RDXBBWWVFUPHSF-YJNKXOJESA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330913 387975629 /nfs/dbraw/zinc/97/56/29/387975629.db2.gz RMIHXNCARNNWQZ-UONOGXRCSA-N 1 0 236.403 3.729 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 ZINC000424331190 387977424 /nfs/dbraw/zinc/97/74/24/387977424.db2.gz RUAUFCHUXIJFII-NUEKZKHPSA-N 1 0 242.366 3.728 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000424332881 387977179 /nfs/dbraw/zinc/97/71/79/387977179.db2.gz TXSRFUVFKVYFMV-ILXRZTDVSA-N 1 0 246.398 3.771 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000424332883 387976355 /nfs/dbraw/zinc/97/63/55/387976355.db2.gz TXSRFUVFKVYFMV-QLFBSQMISA-N 1 0 246.398 3.771 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)s1 ZINC000424333073 387976761 /nfs/dbraw/zinc/97/67/61/387976761.db2.gz UFGCPSZLDUIPKK-KGYLQXTDSA-N 1 0 248.395 3.708 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(C)c1 ZINC000424333440 387977809 /nfs/dbraw/zinc/97/78/09/387977809.db2.gz UGQFZTUSUOIHQE-IMJJTQAJSA-N 1 0 242.366 3.728 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(C)c1 ZINC000424333442 387977740 /nfs/dbraw/zinc/97/77/40/387977740.db2.gz UGQFZTUSUOIHQE-NUEKZKHPSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1C ZINC000424333530 387977782 /nfs/dbraw/zinc/97/77/82/387977782.db2.gz UMAAUMOYRRDROD-IJEWVQPXSA-N 1 0 242.366 3.646 20 30 BHEDRO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424334407 387978161 /nfs/dbraw/zinc/97/81/61/387978161.db2.gz VLHVYRRBNIACIG-AEGPPILISA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424334408 387978921 /nfs/dbraw/zinc/97/89/21/387978921.db2.gz VLHVYRRBNIACIG-VHDGCEQUSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424334499 387978841 /nfs/dbraw/zinc/97/88/41/387978841.db2.gz VQUGHLPMDUBNCV-NUEKZKHPSA-N 1 0 242.366 3.666 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H](C)C1CCCCC1 ZINC000424335930 387978664 /nfs/dbraw/zinc/97/86/64/387978664.db2.gz XDOSPIIEZDIQHO-HGTKMLMNSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H](C)C1CCCCC1 ZINC000424335932 387979161 /nfs/dbraw/zinc/97/91/61/387979161.db2.gz XDOSPIIEZDIQHO-KNCOVGOOSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H](C)C1CCCCC1 ZINC000424335934 387979231 /nfs/dbraw/zinc/97/92/31/387979231.db2.gz XDOSPIIEZDIQHO-ORIJERBGSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000424335935 387978496 /nfs/dbraw/zinc/97/84/96/387978496.db2.gz XDOSPIIEZDIQHO-RZLSGREXSA-N 1 0 248.414 3.873 20 30 BHEDRO CCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336390 387978851 /nfs/dbraw/zinc/97/88/51/387978851.db2.gz XXGDVWVRGDNKMD-BYNSBNAKSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336392 387978761 /nfs/dbraw/zinc/97/87/61/387978761.db2.gz XXGDVWVRGDNKMD-GBJTYRQASA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336394 387978872 /nfs/dbraw/zinc/97/88/72/387978872.db2.gz XXGDVWVRGDNKMD-XQLPTFJDSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336395 387978855 /nfs/dbraw/zinc/97/88/55/387978855.db2.gz XXGDVWVRGDNKMD-YJNKXOJESA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336452 200917908 /nfs/dbraw/zinc/91/79/08/200917908.db2.gz YBWNRQQJOCSJFR-JKJDWNRSSA-N 1 0 248.414 3.729 20 30 BHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336454 200918666 /nfs/dbraw/zinc/91/86/66/200918666.db2.gz YBWNRQQJOCSJFR-YIDVYQOGSA-N 1 0 248.414 3.729 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCCC1 ZINC000424337194 387980015 /nfs/dbraw/zinc/98/00/15/387980015.db2.gz ZDBMAFXHZOCDQY-KCQAQPDRSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCCC1 ZINC000424337196 387980527 /nfs/dbraw/zinc/98/05/27/387980527.db2.gz ZDBMAFXHZOCDQY-VNHYZAJKSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424337551 387980882 /nfs/dbraw/zinc/98/08/82/387980882.db2.gz ZLTCFIBDJRPNHM-APIJFGDWSA-N 1 0 236.403 3.729 20 30 BHEDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424337552 387980875 /nfs/dbraw/zinc/98/08/75/387980875.db2.gz ZLTCFIBDJRPNHM-CBBWQLFWSA-N 1 0 236.403 3.729 20 30 BHEDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424337554 200917744 /nfs/dbraw/zinc/91/77/44/200917744.db2.gz ZLTCFIBDJRPNHM-LJISPDSOSA-N 1 0 236.403 3.729 20 30 BHEDRO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424337555 387980581 /nfs/dbraw/zinc/98/05/81/387980581.db2.gz ZLTCFIBDJRPNHM-ZQDZILKHSA-N 1 0 236.403 3.729 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424337725 387980723 /nfs/dbraw/zinc/98/07/23/387980723.db2.gz ZWIZRSHEQQRFBA-HZSPNIEDSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424337726 200918318 /nfs/dbraw/zinc/91/83/18/200918318.db2.gz ZWIZRSHEQQRFBA-MELADBBJSA-N 1 0 207.361 3.509 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000424342194 387982897 /nfs/dbraw/zinc/98/28/97/387982897.db2.gz FKNRPNMEIFOVAZ-ARLBYUKCSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000424342195 200919129 /nfs/dbraw/zinc/91/91/29/200919129.db2.gz FKNRPNMEIFOVAZ-QCEMKRCNSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000424342196 387983001 /nfs/dbraw/zinc/98/30/01/387983001.db2.gz FKNRPNMEIFOVAZ-SLBVQIDZSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000424342198 387981985 /nfs/dbraw/zinc/98/19/85/387981985.db2.gz FKNRPNMEIFOVAZ-SYAUCNOPSA-N 1 0 246.398 3.627 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424348877 200920881 /nfs/dbraw/zinc/92/08/81/200920881.db2.gz LJRFSYFRTVZWRH-CRWXNKLISA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424348880 200919970 /nfs/dbraw/zinc/91/99/70/200919970.db2.gz LJRFSYFRTVZWRH-XJFOESAGSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424353051 387986975 /nfs/dbraw/zinc/98/69/75/387986975.db2.gz OTTKUIGHEHGHMZ-FQUUOJAGSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424353053 200920399 /nfs/dbraw/zinc/92/03/99/200920399.db2.gz OTTKUIGHEHGHMZ-YIYPIFLZSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccco1 ZINC000424359961 387988632 /nfs/dbraw/zinc/98/86/32/387988632.db2.gz VQGYZHMNIHFMHT-CRWXNKLISA-N 1 0 231.339 3.675 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccco1 ZINC000424359964 387988720 /nfs/dbraw/zinc/98/87/20/387988720.db2.gz VQGYZHMNIHFMHT-XJFOESAGSA-N 1 0 231.339 3.675 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cncn1C(C)C ZINC000425338468 398214691 /nfs/dbraw/zinc/21/46/91/398214691.db2.gz PTBABKBJXZIMSO-UHFFFAOYSA-N 1 0 249.402 3.642 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000425354577 386965815 /nfs/dbraw/zinc/96/58/15/386965815.db2.gz NETMKJAKZPZYLL-CABCVRRESA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000425361658 386983376 /nfs/dbraw/zinc/98/33/76/386983376.db2.gz ZTWIXXSPXJRDOW-CABCVRRESA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)=CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425366340 388704144 /nfs/dbraw/zinc/70/41/44/388704144.db2.gz PKEZJGQZZUEQEX-CYBMUJFWSA-N 1 0 228.339 3.517 20 30 BHEDRO CC(C)=CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366342 388704421 /nfs/dbraw/zinc/70/44/21/388704421.db2.gz PKEZJGQZZUEQEX-ZDUSSCGKSA-N 1 0 228.339 3.517 20 30 BHEDRO C=CCC1(C[NH2+][C@@H]2CC[C@H]2SC)CCCC1 ZINC000425369320 387026656 /nfs/dbraw/zinc/02/66/56/387026656.db2.gz LQEUIUXBSWXLHM-CHWSQXEVSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC1(C[NH2+][C@@H]2CC[C@@H]2SC)CCCC1 ZINC000425369321 191829386 /nfs/dbraw/zinc/82/93/86/191829386.db2.gz LQEUIUXBSWXLHM-OLZOCXBDSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC1(C[NH2+][C@H]2CC[C@H]2SC)CCCC1 ZINC000425369322 191829782 /nfs/dbraw/zinc/82/97/82/191829782.db2.gz LQEUIUXBSWXLHM-QWHCGFSZSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC1(C[NH2+][C@H]2CC[C@@H]2SC)CCCC1 ZINC000425369323 387026330 /nfs/dbraw/zinc/02/63/30/387026330.db2.gz LQEUIUXBSWXLHM-STQMWFEESA-N 1 0 239.428 3.607 20 30 BHEDRO C[C@@H](c1ccccc1)[N@H+](CCC#N)C1CCCC1 ZINC000425462490 386105042 /nfs/dbraw/zinc/10/50/42/386105042.db2.gz WMHCEJNBIUKHST-AWEZNQCLSA-N 1 0 242.366 3.906 20 30 BHEDRO C[C@H](c1ccccc1)[N@H+](CCC#N)C1CCCC1 ZINC000425462491 386103805 /nfs/dbraw/zinc/10/38/05/386103805.db2.gz WMHCEJNBIUKHST-CQSZACIVSA-N 1 0 242.366 3.906 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@H]1C=CCCC1 ZINC000425530045 388706753 /nfs/dbraw/zinc/70/67/53/388706753.db2.gz DETYLLHFGJXFMW-BBRMVZONSA-N 1 0 240.350 3.660 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@H]1C=CCCC1 ZINC000425530046 388707032 /nfs/dbraw/zinc/70/70/32/388707032.db2.gz DETYLLHFGJXFMW-CJNGLKHVSA-N 1 0 240.350 3.660 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000425530047 388706957 /nfs/dbraw/zinc/70/69/57/388706957.db2.gz DETYLLHFGJXFMW-CZUORRHYSA-N 1 0 240.350 3.660 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1C=CCCC1 ZINC000425530048 388706490 /nfs/dbraw/zinc/70/64/90/388706490.db2.gz DETYLLHFGJXFMW-XJKSGUPXSA-N 1 0 240.350 3.660 20 30 BHEDRO CCCCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533297 388706886 /nfs/dbraw/zinc/70/68/86/388706886.db2.gz KOPCSHIWGIAJST-CYBMUJFWSA-N 1 0 230.355 3.741 20 30 BHEDRO CCCCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533300 388706160 /nfs/dbraw/zinc/70/61/60/388706160.db2.gz KOPCSHIWGIAJST-ZDUSSCGKSA-N 1 0 230.355 3.741 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1(C)CCC1 ZINC000425534870 200809478 /nfs/dbraw/zinc/80/94/78/200809478.db2.gz MIXPNUZATIVPIJ-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1(C)CCC1 ZINC000425534871 388706209 /nfs/dbraw/zinc/70/62/09/388706209.db2.gz MIXPNUZATIVPIJ-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO CC/C=C\CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535618 388706195 /nfs/dbraw/zinc/70/61/95/388706195.db2.gz NQGUWUMSXMFOHE-GEXIGZQTSA-N 1 0 242.366 3.907 20 30 BHEDRO CC/C=C/CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535621 388706375 /nfs/dbraw/zinc/70/63/75/388706375.db2.gz NQGUWUMSXMFOHE-GJBLVYBDSA-N 1 0 242.366 3.907 20 30 BHEDRO CC/C=C\CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535623 388706590 /nfs/dbraw/zinc/70/65/90/388706590.db2.gz NQGUWUMSXMFOHE-GXMNPTEKSA-N 1 0 242.366 3.907 20 30 BHEDRO CC/C=C/CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535625 388706284 /nfs/dbraw/zinc/70/62/84/388706284.db2.gz NQGUWUMSXMFOHE-VBROQKIQSA-N 1 0 242.366 3.907 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536537 386336503 /nfs/dbraw/zinc/33/65/03/386336503.db2.gz OTGYNKFJYFYLJP-CYBMUJFWSA-N 1 0 228.339 3.517 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536539 386336379 /nfs/dbraw/zinc/33/63/79/386336379.db2.gz OTGYNKFJYFYLJP-ZDUSSCGKSA-N 1 0 228.339 3.517 20 30 BHEDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000425537372 386338460 /nfs/dbraw/zinc/33/84/60/386338460.db2.gz HAAVRBTZGJGZAO-HNNXBMFYSA-N 1 0 242.366 3.763 20 30 BHEDRO CC1(C)C[C@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000425537373 386339615 /nfs/dbraw/zinc/33/96/15/386339615.db2.gz HAAVRBTZGJGZAO-OAHLLOKOSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCCCF ZINC000425542038 388706559 /nfs/dbraw/zinc/70/65/59/388706559.db2.gz XSACVXRFLXPGBU-CYBMUJFWSA-N 1 0 248.345 3.691 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCCCF ZINC000425542039 388706420 /nfs/dbraw/zinc/70/64/20/388706420.db2.gz XSACVXRFLXPGBU-ZDUSSCGKSA-N 1 0 248.345 3.691 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425543079 386520666 /nfs/dbraw/zinc/52/06/66/386520666.db2.gz ZASUBQKAPJPPPF-CYBMUJFWSA-N 1 0 228.339 3.517 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543083 386520730 /nfs/dbraw/zinc/52/07/30/386520730.db2.gz ZASUBQKAPJPPPF-ZDUSSCGKSA-N 1 0 228.339 3.517 20 30 BHEDRO N#CCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000425976429 635657826 /nfs/dbraw/zinc/65/78/26/635657826.db2.gz GLHCXJQNQQMIOS-CVEARBPZSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000425976430 635657764 /nfs/dbraw/zinc/65/77/64/635657764.db2.gz GLHCXJQNQQMIOS-HOTGVXAUSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000425976431 635656469 /nfs/dbraw/zinc/65/64/69/635656469.db2.gz GLHCXJQNQQMIOS-HZPDHXFCSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000425976432 635655595 /nfs/dbraw/zinc/65/55/95/635655595.db2.gz GLHCXJQNQQMIOS-JKSUJKDBSA-N 1 0 242.366 3.606 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426060822 386644180 /nfs/dbraw/zinc/64/41/80/386644180.db2.gz SDOTWKBJNGWNIS-NEPJUHHUSA-N 1 0 229.323 3.966 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000426060823 386644043 /nfs/dbraw/zinc/64/40/43/386644043.db2.gz SDOTWKBJNGWNIS-NWDGAFQWSA-N 1 0 229.323 3.966 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426060824 386644012 /nfs/dbraw/zinc/64/40/12/386644012.db2.gz SDOTWKBJNGWNIS-RYUDHWBXSA-N 1 0 229.323 3.966 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000426060825 386642970 /nfs/dbraw/zinc/64/29/70/386642970.db2.gz SDOTWKBJNGWNIS-VXGBXAGGSA-N 1 0 229.323 3.966 20 30 BHEDRO Cc1ccc2cc([C@@H](C)[NH2+]CCCC#N)oc2c1 ZINC000426077336 219923664 /nfs/dbraw/zinc/92/36/64/219923664.db2.gz LMVOFLRFBMSRAK-GFCCVEGCSA-N 1 0 242.322 3.696 20 30 BHEDRO Cc1ccc2cc([C@H](C)[NH2+]CCCC#N)oc2c1 ZINC000426077625 386651521 /nfs/dbraw/zinc/65/15/21/386651521.db2.gz LMVOFLRFBMSRAK-LBPRGKRZSA-N 1 0 242.322 3.696 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000426355382 387557847 /nfs/dbraw/zinc/55/78/47/387557847.db2.gz ZTHZLJZPZJPRIR-UHFFFAOYSA-N 1 0 246.379 3.613 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426357160 387558064 /nfs/dbraw/zinc/55/80/64/387558064.db2.gz OTQXTZYWIRDMKQ-CYBMUJFWSA-N 1 0 249.785 3.668 20 30 BHEDRO CC(C)[C@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426357161 387558541 /nfs/dbraw/zinc/55/85/41/387558541.db2.gz OTQXTZYWIRDMKQ-ZDUSSCGKSA-N 1 0 249.785 3.668 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000426374621 387562122 /nfs/dbraw/zinc/56/21/22/387562122.db2.gz YDAJENVELYDMHC-UHFFFAOYSA-N 1 0 246.379 3.613 20 30 BHEDRO Clc1ccc(C#CC[NH+]2CCCCCC2)cc1 ZINC000426378439 200982422 /nfs/dbraw/zinc/98/24/22/200982422.db2.gz GODNIKDQVYZBKG-UHFFFAOYSA-N 1 0 247.769 3.568 20 30 BHEDRO CCC[C@@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426387384 387562208 /nfs/dbraw/zinc/56/22/08/387562208.db2.gz ABJNRQNUANLHRC-CYBMUJFWSA-N 1 0 249.785 3.812 20 30 BHEDRO CCC[C@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426387385 387563015 /nfs/dbraw/zinc/56/30/15/387563015.db2.gz ABJNRQNUANLHRC-ZDUSSCGKSA-N 1 0 249.785 3.812 20 30 BHEDRO C[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426403882 387565111 /nfs/dbraw/zinc/56/51/11/387565111.db2.gz XSVWPVLZUBBELW-CYBMUJFWSA-N 1 0 247.769 3.566 20 30 BHEDRO C[C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426403883 200984878 /nfs/dbraw/zinc/98/48/78/200984878.db2.gz XSVWPVLZUBBELW-ZDUSSCGKSA-N 1 0 247.769 3.566 20 30 BHEDRO C=C(C)C[N@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC000426408090 387565882 /nfs/dbraw/zinc/56/58/82/387565882.db2.gz BKHSIKRTJWKODB-UHFFFAOYSA-N 1 0 247.769 3.590 20 30 BHEDRO CC1(C)CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426437115 384808432 /nfs/dbraw/zinc/80/84/32/384808432.db2.gz UZAPDCYVWZSWQV-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO CC(C)CCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC000426482246 388711138 /nfs/dbraw/zinc/71/11/38/388711138.db2.gz DULHWCINGCBMDM-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000426542346 387580783 /nfs/dbraw/zinc/58/07/83/387580783.db2.gz DXMOQVAEXUQWGD-BBWFWOEESA-N 1 0 241.378 3.831 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000426542347 387579950 /nfs/dbraw/zinc/57/99/50/387579950.db2.gz DXMOQVAEXUQWGD-BRWVUGGUSA-N 1 0 241.378 3.831 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000426542348 387580791 /nfs/dbraw/zinc/58/07/91/387580791.db2.gz DXMOQVAEXUQWGD-GVDBMIGSSA-N 1 0 241.378 3.831 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000426542349 387580677 /nfs/dbraw/zinc/58/06/77/387580677.db2.gz DXMOQVAEXUQWGD-ZACQAIPSSA-N 1 0 241.378 3.831 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000426545604 387581214 /nfs/dbraw/zinc/58/12/14/387581214.db2.gz QGTQDGQHHTYFGB-HNNXBMFYSA-N 1 0 240.350 3.708 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000426545605 387580308 /nfs/dbraw/zinc/58/03/08/387580308.db2.gz QGTQDGQHHTYFGB-OAHLLOKOSA-N 1 0 240.350 3.708 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1sccc1C ZINC000426557172 206051607 /nfs/dbraw/zinc/05/16/07/206051607.db2.gz QIWTWOHKYBRJIJ-GFCCVEGCSA-N 1 0 221.369 3.597 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1sccc1C ZINC000426557173 206051182 /nfs/dbraw/zinc/05/11/82/206051182.db2.gz QIWTWOHKYBRJIJ-LBPRGKRZSA-N 1 0 221.369 3.597 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C)c(OC)c1 ZINC000426560190 206050286 /nfs/dbraw/zinc/05/02/86/206050286.db2.gz OWHSHJRAJHCOPE-HNNXBMFYSA-N 1 0 245.366 3.544 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C)c(OC)c1 ZINC000426560191 206051041 /nfs/dbraw/zinc/05/10/41/206051041.db2.gz OWHSHJRAJHCOPE-OAHLLOKOSA-N 1 0 245.366 3.544 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C)s1 ZINC000426562385 191096775 /nfs/dbraw/zinc/09/67/75/191096775.db2.gz RTUYPVDWLFOTTC-GFCCVEGCSA-N 1 0 221.369 3.597 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C)s1 ZINC000426562386 191097083 /nfs/dbraw/zinc/09/70/83/191097083.db2.gz RTUYPVDWLFOTTC-LBPRGKRZSA-N 1 0 221.369 3.597 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000426564907 206053262 /nfs/dbraw/zinc/05/32/62/206053262.db2.gz JIUZSFOGDVHHHU-AWEZNQCLSA-N 1 0 240.350 3.708 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000426564908 206051840 /nfs/dbraw/zinc/05/18/40/206051840.db2.gz JIUZSFOGDVHHHU-CQSZACIVSA-N 1 0 240.350 3.708 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(OCC)c1 ZINC000426565926 206051644 /nfs/dbraw/zinc/05/16/44/206051644.db2.gz PUOZTAZBNHOEOG-HNNXBMFYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(OCC)c1 ZINC000426565927 206052154 /nfs/dbraw/zinc/05/21/54/206052154.db2.gz PUOZTAZBNHOEOG-OAHLLOKOSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1scnc1C1CC1 ZINC000426570070 491131644 /nfs/dbraw/zinc/13/16/44/491131644.db2.gz HWVWKXYEJBESJO-GFCCVEGCSA-N 1 0 248.395 3.561 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1Cc1scnc1C1CC1 ZINC000426570071 491131641 /nfs/dbraw/zinc/13/16/41/491131641.db2.gz HWVWKXYEJBESJO-LBPRGKRZSA-N 1 0 248.395 3.561 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(C)c1 ZINC000426572693 206050402 /nfs/dbraw/zinc/05/04/02/206050402.db2.gz FZUZKZCBHSNJIX-HNNXBMFYSA-N 1 0 245.366 3.544 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(C)c1 ZINC000426572694 206051202 /nfs/dbraw/zinc/05/12/02/206051202.db2.gz FZUZKZCBHSNJIX-OAHLLOKOSA-N 1 0 245.366 3.544 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000426573733 206050414 /nfs/dbraw/zinc/05/04/14/206050414.db2.gz PIKMDJSACDNUQV-LLVKDONJSA-N 1 0 241.787 3.942 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000426573734 206052600 /nfs/dbraw/zinc/05/26/00/206052600.db2.gz PIKMDJSACDNUQV-NSHDSACASA-N 1 0 241.787 3.942 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000426578368 206052037 /nfs/dbraw/zinc/05/20/37/206052037.db2.gz HZDIPTVTPPCVNI-AWEZNQCLSA-N 1 0 241.334 3.973 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000426578369 206050501 /nfs/dbraw/zinc/05/05/01/206050501.db2.gz HZDIPTVTPPCVNI-CQSZACIVSA-N 1 0 241.334 3.973 20 30 BHEDRO CC[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426995160 191051867 /nfs/dbraw/zinc/05/18/67/191051867.db2.gz NDDFKMOGHBAXQN-HNNXBMFYSA-N 1 0 247.769 3.566 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426995161 191052167 /nfs/dbraw/zinc/05/21/67/191052167.db2.gz NDDFKMOGHBAXQN-OAHLLOKOSA-N 1 0 247.769 3.566 20 30 BHEDRO C=CCCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426999634 191051373 /nfs/dbraw/zinc/05/13/73/191051373.db2.gz LKUWNSGWFUDJEQ-UHFFFAOYSA-N 1 0 247.769 3.590 20 30 BHEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000427001443 191051638 /nfs/dbraw/zinc/05/16/38/191051638.db2.gz SPRLZZPLGQFGLW-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)CC(C)C ZINC000427024014 191050993 /nfs/dbraw/zinc/05/09/93/191050993.db2.gz QRJUZAPCNYWQDE-UHFFFAOYSA-N 1 0 249.785 3.669 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000427686230 191087524 /nfs/dbraw/zinc/08/75/24/191087524.db2.gz QCHVVOPJDMAELB-GDBMZVCRSA-N 1 0 231.383 3.808 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000427686231 191087151 /nfs/dbraw/zinc/08/71/51/191087151.db2.gz QCHVVOPJDMAELB-GOEBONIOSA-N 1 0 231.383 3.808 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000427686232 191087763 /nfs/dbraw/zinc/08/77/63/191087763.db2.gz QCHVVOPJDMAELB-HOCLYGCPSA-N 1 0 231.383 3.808 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000427686233 191087743 /nfs/dbraw/zinc/08/77/43/191087743.db2.gz QCHVVOPJDMAELB-ZBFHGGJFSA-N 1 0 231.383 3.808 20 30 BHEDRO Cc1ccc([C@@H]([NH2+]CCCC#N)C2CCC2)cc1 ZINC000427883753 191100151 /nfs/dbraw/zinc/10/01/51/191100151.db2.gz FWYJHCSLVBJORL-INIZCTEOSA-N 1 0 242.366 3.730 20 30 BHEDRO Cc1ccc([C@H]([NH2+]CCCC#N)C2CCC2)cc1 ZINC000427883760 191100191 /nfs/dbraw/zinc/10/01/91/191100191.db2.gz FWYJHCSLVBJORL-MRXNPFEDSA-N 1 0 242.366 3.730 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427981782 191104684 /nfs/dbraw/zinc/10/46/84/191104684.db2.gz DYGLYLNHCVKHDO-KBPBESRZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427981783 191104514 /nfs/dbraw/zinc/10/45/14/191104514.db2.gz DYGLYLNHCVKHDO-KGLIPLIRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427981784 191103962 /nfs/dbraw/zinc/10/39/62/191103962.db2.gz DYGLYLNHCVKHDO-UONOGXRCSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427981785 191104318 /nfs/dbraw/zinc/10/43/18/191104318.db2.gz DYGLYLNHCVKHDO-ZIAGYGMSSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CC1CC[NH+](Cc2oc(C(C)C)nc2C)CC1 ZINC000428210350 201002067 /nfs/dbraw/zinc/00/20/67/201002067.db2.gz IKXOBNWKPUBKSZ-UHFFFAOYSA-N 1 0 248.370 3.504 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1oc(C(C)C)nc1C ZINC000428224640 206055450 /nfs/dbraw/zinc/05/54/50/206055450.db2.gz AJZMFLMPWJYZQG-UHFFFAOYSA-N 1 0 236.359 3.504 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC000428238962 206056702 /nfs/dbraw/zinc/05/67/02/206056702.db2.gz ACXYGLYKQPXNPA-AWEZNQCLSA-N 1 0 247.386 3.524 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000428238963 206055825 /nfs/dbraw/zinc/05/58/25/206055825.db2.gz ACXYGLYKQPXNPA-CQSZACIVSA-N 1 0 247.386 3.524 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1cccc(F)c1C#N ZINC000428241319 206055341 /nfs/dbraw/zinc/05/53/41/206055341.db2.gz SREQVMISZWHSHE-GFCCVEGCSA-N 1 0 248.345 3.565 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1cccc(F)c1C#N ZINC000428241320 206055464 /nfs/dbraw/zinc/05/54/64/206055464.db2.gz SREQVMISZWHSHE-LBPRGKRZSA-N 1 0 248.345 3.565 20 30 BHEDRO C=C(C)C[N@@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428318989 201010255 /nfs/dbraw/zinc/01/02/55/201010255.db2.gz NLEZBURSGGSFPY-INIZCTEOSA-N 1 0 247.382 3.661 20 30 BHEDRO C=C(C)C[N@@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428318990 201009843 /nfs/dbraw/zinc/00/98/43/201009843.db2.gz NLEZBURSGGSFPY-MRXNPFEDSA-N 1 0 247.382 3.661 20 30 BHEDRO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)C(C)(C)C ZINC000428352391 201010613 /nfs/dbraw/zinc/01/06/13/201010613.db2.gz LBJZFFNZEXLAGX-AWEZNQCLSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(C)(C)C ZINC000428352392 201011792 /nfs/dbraw/zinc/01/17/92/201011792.db2.gz LBJZFFNZEXLAGX-CQSZACIVSA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1cccc(F)c1C#N ZINC000428369525 201010747 /nfs/dbraw/zinc/01/07/47/201010747.db2.gz JFLSVOPOXPELIP-UHFFFAOYSA-N 1 0 248.345 3.756 20 30 BHEDRO C=CC[N@@H+](C)C[C@H](CCC)c1ccccc1 ZINC000428372511 191100353 /nfs/dbraw/zinc/10/03/53/191100353.db2.gz LNZXYXPRCRGTCT-HNNXBMFYSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CC[N@@H+](C)C[C@@H](CCC)c1ccccc1 ZINC000428372513 191100060 /nfs/dbraw/zinc/10/00/60/191100060.db2.gz LNZXYXPRCRGTCT-OAHLLOKOSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CC[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000428372518 201011111 /nfs/dbraw/zinc/01/11/11/201011111.db2.gz LOOQHPJTUNYMBC-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000428378561 201011059 /nfs/dbraw/zinc/01/10/59/201011059.db2.gz AHZOWPDYPCTXOH-UHFFFAOYSA-N 1 0 223.385 3.663 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000428383538 201013921 /nfs/dbraw/zinc/01/39/21/201013921.db2.gz VOAGNAWTUCJIJA-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000428386993 201013478 /nfs/dbraw/zinc/01/34/78/201013478.db2.gz JTWODSRPBGTVRK-UHFFFAOYSA-N 1 0 245.297 3.704 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000428389244 201012836 /nfs/dbraw/zinc/01/28/36/201012836.db2.gz PRCMJCFIVLPGBD-UHFFFAOYSA-N 1 0 227.307 3.564 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000428391380 201013727 /nfs/dbraw/zinc/01/37/27/201013727.db2.gz QTPQKAFPVVATAZ-UHFFFAOYSA-N 1 0 245.297 3.704 20 30 BHEDRO C=CC[N@@H+](C)Cc1c(C)cc(Cl)cc1C ZINC000428391990 201013812 /nfs/dbraw/zinc/01/38/12/201013812.db2.gz RXUCGEWIRWHUCB-UHFFFAOYSA-N 1 0 223.747 3.575 20 30 BHEDRO C=CC[N@@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000428396957 201014073 /nfs/dbraw/zinc/01/40/73/201014073.db2.gz DZLGZPGTJYSVJG-UHFFFAOYSA-N 1 0 229.323 3.667 20 30 BHEDRO CC(C)C[N@H+](Cc1cccc(F)c1C#N)C(C)C ZINC000428446129 201017191 /nfs/dbraw/zinc/01/71/91/201017191.db2.gz JWRWBTYMBPDCIU-UHFFFAOYSA-N 1 0 248.345 3.564 20 30 BHEDRO CCC[N@@H+](Cc1cccc(F)c1C#N)CC(C)C ZINC000428464356 201022061 /nfs/dbraw/zinc/02/20/61/201022061.db2.gz VHCADUUWWGXXQF-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1oc(C(C)C)nc1C ZINC000428466725 201022405 /nfs/dbraw/zinc/02/24/05/201022405.db2.gz VTMJJVUDSWWXFN-UHFFFAOYSA-N 1 0 236.359 3.504 20 30 BHEDRO CC[N@H+](Cc1cccc(F)c1C#N)[C@H](C)C(C)C ZINC000428469287 201021927 /nfs/dbraw/zinc/02/19/27/201021927.db2.gz TXUNZPBSGVUJBI-GFCCVEGCSA-N 1 0 248.345 3.564 20 30 BHEDRO CC[N@H+](Cc1cccc(F)c1C#N)[C@@H](C)C(C)C ZINC000428469288 201021273 /nfs/dbraw/zinc/02/12/73/201021273.db2.gz TXUNZPBSGVUJBI-LBPRGKRZSA-N 1 0 248.345 3.564 20 30 BHEDRO C=CCC[N@@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000428498854 384748933 /nfs/dbraw/zinc/74/89/33/384748933.db2.gz XOYHZJWMRZEJSN-INIZCTEOSA-N 1 0 247.382 3.661 20 30 BHEDRO C=CCC[N@@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428498856 384748892 /nfs/dbraw/zinc/74/88/92/384748892.db2.gz XOYHZJWMRZEJSN-MRXNPFEDSA-N 1 0 247.382 3.661 20 30 BHEDRO C=CCCCCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428705038 201037032 /nfs/dbraw/zinc/03/70/32/201037032.db2.gz BPHFNJOAKVUEEC-OLZOCXBDSA-N 1 0 243.341 3.710 20 30 BHEDRO C=CCCCCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428705039 201036496 /nfs/dbraw/zinc/03/64/96/201036496.db2.gz BPHFNJOAKVUEEC-QWHCGFSZSA-N 1 0 243.341 3.710 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1cccc(C)c1C ZINC000428715481 206059905 /nfs/dbraw/zinc/05/99/05/206059905.db2.gz GKRMHNRLSLSDFX-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO Cc1cccc(C[N@H+](C)CCC(C)(C)C#N)c1C ZINC000428716869 201037534 /nfs/dbraw/zinc/03/75/34/201037534.db2.gz JJXMOJNDNCPDHY-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO C=CCCCCC[NH+]1CCC(C)(OCC)CC1 ZINC000428723405 201038211 /nfs/dbraw/zinc/03/82/11/201038211.db2.gz SOJJUGYKXMOYJS-UHFFFAOYSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1CCC(C)(OCC)CC1 ZINC000428728569 201038134 /nfs/dbraw/zinc/03/81/34/201038134.db2.gz LDBIVJJEEHHZRS-AWEZNQCLSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCCC[C@@H](C)[NH+]1CCC(C)(OCC)CC1 ZINC000428728570 201037620 /nfs/dbraw/zinc/03/76/20/201037620.db2.gz LDBIVJJEEHHZRS-CQSZACIVSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCC[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000428732789 201039355 /nfs/dbraw/zinc/03/93/55/201039355.db2.gz NVULSSWXRIOPQK-UHFFFAOYSA-N 1 0 247.357 3.890 20 30 BHEDRO C=CC[N@@H+](CCC#N)CC1CCC(C)(C)CC1 ZINC000428839280 384638533 /nfs/dbraw/zinc/63/85/33/384638533.db2.gz JFDPYZDMELGPNH-UHFFFAOYSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)[N@H+](CC1(C#N)CC1)[C@@H](C)c1ccccc1 ZINC000428854057 201042795 /nfs/dbraw/zinc/04/27/95/201042795.db2.gz AXRSEJBTSWCOBH-AWEZNQCLSA-N 1 0 242.366 3.762 20 30 BHEDRO CC(C)[N@H+](CC1(C#N)CC1)[C@H](C)c1ccccc1 ZINC000428854058 201043932 /nfs/dbraw/zinc/04/39/32/201043932.db2.gz AXRSEJBTSWCOBH-CQSZACIVSA-N 1 0 242.366 3.762 20 30 BHEDRO C=CC[N@@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428867498 201048155 /nfs/dbraw/zinc/04/81/55/201048155.db2.gz LJFWSLBIYALVIS-CYBMUJFWSA-N 1 0 203.329 3.644 20 30 BHEDRO C=CC[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428867499 201047376 /nfs/dbraw/zinc/04/73/76/201047376.db2.gz LJFWSLBIYALVIS-ZDUSSCGKSA-N 1 0 203.329 3.644 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1cccc(F)c1C#N ZINC000428940301 201049751 /nfs/dbraw/zinc/04/97/51/201049751.db2.gz PQGHADJIRAKVAZ-UHFFFAOYSA-N 1 0 248.345 3.708 20 30 BHEDRO CC[N@H+](Cc1cccc(F)c1C#N)CC(C)(C)C ZINC000428969221 201056428 /nfs/dbraw/zinc/05/64/28/201056428.db2.gz QVVNUWMAMPRAHS-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428976475 201054353 /nfs/dbraw/zinc/05/43/53/201054353.db2.gz JRRSOBIGDPYOKB-GFCCVEGCSA-N 1 0 248.345 3.708 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428976477 201056393 /nfs/dbraw/zinc/05/63/93/201056393.db2.gz JRRSOBIGDPYOKB-LBPRGKRZSA-N 1 0 248.345 3.708 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1oc(C(C)C)nc1C ZINC000428986933 201058925 /nfs/dbraw/zinc/05/89/25/201058925.db2.gz RAPYMFIJWACDLE-CYBMUJFWSA-N 1 0 248.370 3.647 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1oc(C(C)C)nc1C ZINC000428986934 201058137 /nfs/dbraw/zinc/05/81/37/201058137.db2.gz RAPYMFIJWACDLE-ZDUSSCGKSA-N 1 0 248.370 3.647 20 30 BHEDRO CC(C)CCC[N@H+](CCC#N)CC(C)(C)C ZINC000429044567 201064024 /nfs/dbraw/zinc/06/40/24/201064024.db2.gz KCZYIIMQIPCNCY-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO CC(C)CCC[N@H+](CCC#N)CCC(C)C ZINC000429044610 201063422 /nfs/dbraw/zinc/06/34/22/201063422.db2.gz INBQJQBNHNOFTG-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO CC(C)(C#N)CCC[NH+](C1CCC1)C1CCC1 ZINC000429123697 201071625 /nfs/dbraw/zinc/07/16/25/201071625.db2.gz RMHPTGURGCWXTP-UHFFFAOYSA-N 1 0 234.387 3.723 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](CSC)C1 ZINC000429283809 201092921 /nfs/dbraw/zinc/09/29/21/201092921.db2.gz AVHGYTSSMGAWLT-KBPBESRZSA-N 1 0 241.444 3.806 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](CSC)C1 ZINC000429283810 201091264 /nfs/dbraw/zinc/09/12/64/201091264.db2.gz AVHGYTSSMGAWLT-KGLIPLIRSA-N 1 0 241.444 3.806 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](CSC)C1 ZINC000429283811 201092913 /nfs/dbraw/zinc/09/29/13/201092913.db2.gz AVHGYTSSMGAWLT-UONOGXRCSA-N 1 0 241.444 3.806 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](CSC)C1 ZINC000429283812 201093745 /nfs/dbraw/zinc/09/37/45/201093745.db2.gz AVHGYTSSMGAWLT-ZIAGYGMSSA-N 1 0 241.444 3.806 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@H](CSC)C1 ZINC000429315517 201099082 /nfs/dbraw/zinc/09/90/82/201099082.db2.gz ZUTHHKBITAAYJY-AWEZNQCLSA-N 1 0 241.444 3.808 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@@H](CSC)C1 ZINC000429315521 201099014 /nfs/dbraw/zinc/09/90/14/201099014.db2.gz ZUTHHKBITAAYJY-CQSZACIVSA-N 1 0 241.444 3.808 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1occc1C ZINC000429402894 201106710 /nfs/dbraw/zinc/10/67/10/201106710.db2.gz NYESAHMEIRSDDM-CYBMUJFWSA-N 1 0 221.344 3.765 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1occc1C ZINC000429402897 201105857 /nfs/dbraw/zinc/10/58/57/201105857.db2.gz NYESAHMEIRSDDM-ZDUSSCGKSA-N 1 0 221.344 3.765 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429421093 201105777 /nfs/dbraw/zinc/10/57/77/201105777.db2.gz UNFIGJFIHDQBKR-KBPBESRZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429421094 201106098 /nfs/dbraw/zinc/10/60/98/201106098.db2.gz UNFIGJFIHDQBKR-KGLIPLIRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429421096 201107636 /nfs/dbraw/zinc/10/76/36/201107636.db2.gz UNFIGJFIHDQBKR-UONOGXRCSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429421097 201109259 /nfs/dbraw/zinc/10/92/59/201109259.db2.gz UNFIGJFIHDQBKR-ZIAGYGMSSA-N 1 0 239.403 3.669 20 30 BHEDRO CCC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000429437959 201108095 /nfs/dbraw/zinc/10/80/95/201108095.db2.gz QHKABXULKIWUGF-LLVKDONJSA-N 1 0 248.345 3.784 20 30 BHEDRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000429437960 201108751 /nfs/dbraw/zinc/10/87/51/201108751.db2.gz QHKABXULKIWUGF-NSHDSACASA-N 1 0 248.345 3.784 20 30 BHEDRO CCC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000429458045 201110245 /nfs/dbraw/zinc/11/02/45/201110245.db2.gz VNKXXOYAPDJQKC-LLVKDONJSA-N 1 0 248.345 3.784 20 30 BHEDRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000429458046 201110007 /nfs/dbraw/zinc/11/00/07/201110007.db2.gz VNKXXOYAPDJQKC-NSHDSACASA-N 1 0 248.345 3.784 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000429678633 201124051 /nfs/dbraw/zinc/12/40/51/201124051.db2.gz GGSKMRILFRYIAP-KFWWJZLASA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000429678634 201122962 /nfs/dbraw/zinc/12/29/62/201122962.db2.gz GGSKMRILFRYIAP-RBSFLKMASA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000429678635 201124799 /nfs/dbraw/zinc/12/47/99/201124799.db2.gz GGSKMRILFRYIAP-RRFJBIMHSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000429678636 201124428 /nfs/dbraw/zinc/12/44/28/201124428.db2.gz GGSKMRILFRYIAP-ZNMIVQPWSA-N 1 0 248.414 3.827 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CCCCC3)CC2)C1 ZINC000429680220 201127431 /nfs/dbraw/zinc/12/74/31/201127431.db2.gz SNVRFKQVIPHJNN-CABCVRRESA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC3(CCCCC3)CC2)C1 ZINC000429680222 201126685 /nfs/dbraw/zinc/12/66/85/201126685.db2.gz SNVRFKQVIPHJNN-GJZGRUSLSA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCCC3)CC2)C1 ZINC000429680223 201125594 /nfs/dbraw/zinc/12/55/94/201125594.db2.gz SNVRFKQVIPHJNN-HUUCEWRRSA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC3(CCCCC3)CC2)C1 ZINC000429680225 201127031 /nfs/dbraw/zinc/12/70/31/201127031.db2.gz SNVRFKQVIPHJNN-LSDHHAIUSA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(CC=CCC3)C2)C1 ZINC000429688403 201125559 /nfs/dbraw/zinc/12/55/59/201125559.db2.gz BKQAZWOAXLOQPI-BZUAXINKSA-N 1 0 244.382 3.501 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)C1 ZINC000429688404 201126352 /nfs/dbraw/zinc/12/63/52/201126352.db2.gz BKQAZWOAXLOQPI-OAGGEKHMSA-N 1 0 244.382 3.501 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CC=CCC3)C2)C1 ZINC000429688405 387414045 /nfs/dbraw/zinc/41/40/45/387414045.db2.gz BKQAZWOAXLOQPI-OWCLPIDISA-N 1 0 244.382 3.501 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)C1 ZINC000429688406 387415077 /nfs/dbraw/zinc/41/50/77/387415077.db2.gz BKQAZWOAXLOQPI-PMPSAXMXSA-N 1 0 244.382 3.501 20 30 BHEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1 ZINC000429784754 324119939 /nfs/dbraw/zinc/11/99/39/324119939.db2.gz OHRVDNVETYRXJJ-AWEZNQCLSA-N 1 0 246.329 3.560 20 30 BHEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1 ZINC000429784755 324119983 /nfs/dbraw/zinc/11/99/83/324119983.db2.gz OHRVDNVETYRXJJ-CQSZACIVSA-N 1 0 246.329 3.560 20 30 BHEDRO Cc1ccc(C)c([C@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000429797810 201132637 /nfs/dbraw/zinc/13/26/37/201132637.db2.gz DLCCHSNYAJIJGK-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000429797811 201132399 /nfs/dbraw/zinc/13/23/99/201132399.db2.gz DLCCHSNYAJIJGK-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO C[C@H](C[NH2+]CC1(CC#N)CC1)CC1CCCCC1 ZINC000430004473 201138126 /nfs/dbraw/zinc/13/81/26/201138126.db2.gz KYAIKOAFZBSOEK-AWEZNQCLSA-N 1 0 248.414 3.876 20 30 BHEDRO C[C@@H](C[NH2+]CC1(CC#N)CC1)CC1CCCCC1 ZINC000430004476 201139443 /nfs/dbraw/zinc/13/94/43/201139443.db2.gz KYAIKOAFZBSOEK-CQSZACIVSA-N 1 0 248.414 3.876 20 30 BHEDRO CC1(C[NH2+]CC2(CC#N)CC2)CCCCCC1 ZINC000430005390 201138137 /nfs/dbraw/zinc/13/81/37/201138137.db2.gz MUUJUUZURPVRJN-UHFFFAOYSA-N 1 0 234.387 3.630 20 30 BHEDRO CC(C)(C)C1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000430017700 201139442 /nfs/dbraw/zinc/13/94/42/201139442.db2.gz DQJSOIZJQUKSPB-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)C[C@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430021776 201138868 /nfs/dbraw/zinc/13/88/68/201138868.db2.gz KGHKBCRBPVSKJJ-CABCVRRESA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430021778 201138543 /nfs/dbraw/zinc/13/85/43/201138543.db2.gz KGHKBCRBPVSKJJ-GJZGRUSLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430021779 201138846 /nfs/dbraw/zinc/13/88/46/201138846.db2.gz KGHKBCRBPVSKJJ-HUUCEWRRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430021781 201137895 /nfs/dbraw/zinc/13/78/95/201137895.db2.gz KGHKBCRBPVSKJJ-LSDHHAIUSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@H]1C ZINC000430049119 201140220 /nfs/dbraw/zinc/14/02/20/201140220.db2.gz XZZZSAVVSSJPON-ILXRZTDVSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@H]1C ZINC000430049120 201141452 /nfs/dbraw/zinc/14/14/52/201141452.db2.gz XZZZSAVVSSJPON-KFWWJZLASA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1C ZINC000430049122 201139898 /nfs/dbraw/zinc/13/98/98/201139898.db2.gz XZZZSAVVSSJPON-KKUMJFAQSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1C ZINC000430049124 201140472 /nfs/dbraw/zinc/14/04/72/201140472.db2.gz XZZZSAVVSSJPON-ZNMIVQPWSA-N 1 0 248.414 3.731 20 30 BHEDRO CCCC1CCC(C[NH2+]CC2(CC#N)CC2)CC1 ZINC000430064320 201141190 /nfs/dbraw/zinc/14/11/90/201141190.db2.gz ZLYZUNUKLGIIMA-UHFFFAOYSA-N 1 0 248.414 3.876 20 30 BHEDRO CCCC[C@H](CC)CC[NH2+]CC1(CC#N)CC1 ZINC000430066076 201140076 /nfs/dbraw/zinc/14/00/76/201140076.db2.gz KTVGFHXIASLFPG-AWEZNQCLSA-N 1 0 236.403 3.876 20 30 BHEDRO CCCC[C@@H](CC)CC[NH2+]CC1(CC#N)CC1 ZINC000430066078 201140874 /nfs/dbraw/zinc/14/08/74/201140874.db2.gz KTVGFHXIASLFPG-CQSZACIVSA-N 1 0 236.403 3.876 20 30 BHEDRO CC(C)[C@@H]1[N@H+](CC(C)(C)CCC#N)CC12CCC2 ZINC000430110041 201144549 /nfs/dbraw/zinc/14/45/49/201144549.db2.gz WRJFUKKJXCEIJY-AWEZNQCLSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)[C@H]1[N@H+](CC(C)(C)CCC#N)CC12CCC2 ZINC000430110042 201144586 /nfs/dbraw/zinc/14/45/86/201144586.db2.gz WRJFUKKJXCEIJY-CQSZACIVSA-N 1 0 248.414 3.827 20 30 BHEDRO C=CC[N@@H+](CCC#N)C[C@H]1CCC[C@@H](CC)C1 ZINC000430112045 201144707 /nfs/dbraw/zinc/14/47/07/201144707.db2.gz VZKCHBLPWNQTRT-CABCVRRESA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[N@@H+](CCC#N)C[C@H]1CCC[C@H](CC)C1 ZINC000430112046 201145270 /nfs/dbraw/zinc/14/52/70/201145270.db2.gz VZKCHBLPWNQTRT-GJZGRUSLSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[N@@H+](CCC#N)C[C@@H]1CCC[C@@H](CC)C1 ZINC000430112047 201144219 /nfs/dbraw/zinc/14/42/19/201144219.db2.gz VZKCHBLPWNQTRT-HUUCEWRRSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[N@@H+](CCC#N)C[C@@H]1CCC[C@H](CC)C1 ZINC000430112048 201144563 /nfs/dbraw/zinc/14/45/63/201144563.db2.gz VZKCHBLPWNQTRT-LSDHHAIUSA-N 1 0 234.387 3.604 20 30 BHEDRO N#Cc1ccc(C[NH+](C2CCC2)C2CCC2)s1 ZINC000430116190 201144327 /nfs/dbraw/zinc/14/43/27/201144327.db2.gz XBZFXTYLZBDKOK-UHFFFAOYSA-N 1 0 246.379 3.527 20 30 BHEDRO N#Cc1csc(C[NH+](C2CCC2)C2CCC2)c1 ZINC000430117734 201145820 /nfs/dbraw/zinc/14/58/20/201145820.db2.gz CQRXLFNTRXOHEK-UHFFFAOYSA-N 1 0 246.379 3.527 20 30 BHEDRO CC1=C[C@@H](C)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000430259503 387601457 /nfs/dbraw/zinc/60/14/57/387601457.db2.gz FDIWVURUVJQWMA-CYBMUJFWSA-N 1 0 234.387 3.604 20 30 BHEDRO CC1=C[C@H](C)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000430259505 387601734 /nfs/dbraw/zinc/60/17/34/387601734.db2.gz FDIWVURUVJQWMA-ZDUSSCGKSA-N 1 0 234.387 3.604 20 30 BHEDRO CC1=C[C@H](C)C[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000430265252 388727808 /nfs/dbraw/zinc/72/78/08/388727808.db2.gz DKSGFZQQEVYQQO-GXTWGEPZSA-N 1 0 240.350 3.517 20 30 BHEDRO CC1=C[C@H](C)C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000430265253 388727565 /nfs/dbraw/zinc/72/75/65/388727565.db2.gz DKSGFZQQEVYQQO-JSGCOSHPSA-N 1 0 240.350 3.517 20 30 BHEDRO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000430265254 388727121 /nfs/dbraw/zinc/72/71/21/388727121.db2.gz DKSGFZQQEVYQQO-OCCSQVGLSA-N 1 0 240.350 3.517 20 30 BHEDRO CC1=C[C@@H](C)C[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000430265255 388727144 /nfs/dbraw/zinc/72/71/44/388727144.db2.gz DKSGFZQQEVYQQO-TZMCWYRMSA-N 1 0 240.350 3.517 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430284944 398226938 /nfs/dbraw/zinc/22/69/38/398226938.db2.gz OFMNKFGCYVNJBF-GXTWGEPZSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CCCC[C@H](C)[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430284945 398227016 /nfs/dbraw/zinc/22/70/16/398227016.db2.gz OFMNKFGCYVNJBF-JSGCOSHPSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CCCC[C@H](C)[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430284946 398226954 /nfs/dbraw/zinc/22/69/54/398226954.db2.gz OFMNKFGCYVNJBF-OCCSQVGLSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430284947 398226996 /nfs/dbraw/zinc/22/69/96/398226996.db2.gz OFMNKFGCYVNJBF-TZMCWYRMSA-N 1 0 207.361 3.629 20 30 BHEDRO CC1=C[C@H](C)C[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000430287566 192867612 /nfs/dbraw/zinc/86/76/12/192867612.db2.gz FLFMQVXDOOIFPX-GXTWGEPZSA-N 1 0 240.350 3.517 20 30 BHEDRO CC1=C[C@H](C)C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000430287567 388727444 /nfs/dbraw/zinc/72/74/44/388727444.db2.gz FLFMQVXDOOIFPX-JSGCOSHPSA-N 1 0 240.350 3.517 20 30 BHEDRO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000430287568 388727662 /nfs/dbraw/zinc/72/76/62/388727662.db2.gz FLFMQVXDOOIFPX-OCCSQVGLSA-N 1 0 240.350 3.517 20 30 BHEDRO CC1=C[C@@H](C)C[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000430287569 192867762 /nfs/dbraw/zinc/86/77/62/192867762.db2.gz FLFMQVXDOOIFPX-TZMCWYRMSA-N 1 0 240.350 3.517 20 30 BHEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430720961 387644410 /nfs/dbraw/zinc/64/44/10/387644410.db2.gz BIMDPOFARXUPPU-CABCVRRESA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430720964 387644537 /nfs/dbraw/zinc/64/45/37/387644537.db2.gz BIMDPOFARXUPPU-GJZGRUSLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430720965 387645215 /nfs/dbraw/zinc/64/52/15/387645215.db2.gz BIMDPOFARXUPPU-HUUCEWRRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430720967 192887508 /nfs/dbraw/zinc/88/75/08/192887508.db2.gz BIMDPOFARXUPPU-LSDHHAIUSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccsc1 ZINC000430723086 387644746 /nfs/dbraw/zinc/64/47/46/387644746.db2.gz IEBVRBRLGZXLTE-CYBMUJFWSA-N 1 0 248.395 3.873 20 30 BHEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)c1ccsc1 ZINC000430723091 387645220 /nfs/dbraw/zinc/64/52/20/387645220.db2.gz IEBVRBRLGZXLTE-ZDUSSCGKSA-N 1 0 248.395 3.873 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1C ZINC000430730312 387645263 /nfs/dbraw/zinc/64/52/63/387645263.db2.gz AHETVFAQMSDQCU-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1C ZINC000430730313 387644436 /nfs/dbraw/zinc/64/44/36/387644436.db2.gz AHETVFAQMSDQCU-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430731430 387644895 /nfs/dbraw/zinc/64/48/95/387644895.db2.gz WIAMZHMECFDFJB-KBPBESRZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430731531 387645109 /nfs/dbraw/zinc/64/51/09/387645109.db2.gz WIAMZHMECFDFJB-KGLIPLIRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430731532 387645123 /nfs/dbraw/zinc/64/51/23/387645123.db2.gz WIAMZHMECFDFJB-UONOGXRCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430731533 387644812 /nfs/dbraw/zinc/64/48/12/387644812.db2.gz WIAMZHMECFDFJB-ZIAGYGMSSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(F)c1 ZINC000430733213 387646555 /nfs/dbraw/zinc/64/65/55/387646555.db2.gz DRVVPSLPYQEHIM-AWEZNQCLSA-N 1 0 246.329 3.560 20 30 BHEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(F)c1 ZINC000430733214 387647909 /nfs/dbraw/zinc/64/79/09/387647909.db2.gz DRVVPSLPYQEHIM-CQSZACIVSA-N 1 0 246.329 3.560 20 30 BHEDRO CC(C)[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000430738477 387647873 /nfs/dbraw/zinc/64/78/73/387647873.db2.gz ZEVMYDVSYJNNCJ-HNNXBMFYSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000430738478 192887182 /nfs/dbraw/zinc/88/71/82/192887182.db2.gz ZEVMYDVSYJNNCJ-OAHLLOKOSA-N 1 0 242.366 3.667 20 30 BHEDRO C=C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430740964 387647725 /nfs/dbraw/zinc/64/77/25/387647725.db2.gz RIJLKBFVNAUGFR-UHFFFAOYSA-N 1 0 247.407 3.572 20 30 BHEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430741937 192888848 /nfs/dbraw/zinc/88/88/48/192888848.db2.gz KJIHSDPPDHRJDX-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430741938 387646423 /nfs/dbraw/zinc/64/64/23/387646423.db2.gz KJIHSDPPDHRJDX-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430741939 387647430 /nfs/dbraw/zinc/64/74/30/387647430.db2.gz KJIHSDPPDHRJDX-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430741940 387647573 /nfs/dbraw/zinc/64/75/73/387647573.db2.gz KJIHSDPPDHRJDX-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000430743371 387647479 /nfs/dbraw/zinc/64/74/79/387647479.db2.gz ROAOSOBDXXSNCB-HNNXBMFYSA-N 1 0 242.366 3.811 20 30 BHEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000430743372 192888959 /nfs/dbraw/zinc/88/89/59/192888959.db2.gz ROAOSOBDXXSNCB-OAHLLOKOSA-N 1 0 242.366 3.811 20 30 BHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430745750 192889259 /nfs/dbraw/zinc/88/92/59/192889259.db2.gz ZQYWQBDFXIAVIP-KFWWJZLASA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430745752 387647538 /nfs/dbraw/zinc/64/75/38/387647538.db2.gz ZQYWQBDFXIAVIP-RBSFLKMASA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]([C@H](C)[NH2+]CC1(CC#N)CC1)C1CCCCC1 ZINC000430746427 387646411 /nfs/dbraw/zinc/64/64/11/387646411.db2.gz QOSIZMOGCPXYOP-KBPBESRZSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H](C)C1CCCCC1 ZINC000430746429 387647856 /nfs/dbraw/zinc/64/78/56/387647856.db2.gz QOSIZMOGCPXYOP-KGLIPLIRSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H](C)C1CCCCC1 ZINC000430746432 387647045 /nfs/dbraw/zinc/64/70/45/387647045.db2.gz QOSIZMOGCPXYOP-UONOGXRCSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H](C)C1CCCCC1 ZINC000430746435 387647645 /nfs/dbraw/zinc/64/76/45/387647645.db2.gz QOSIZMOGCPXYOP-ZIAGYGMSSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430748382 387646359 /nfs/dbraw/zinc/64/63/59/387646359.db2.gz DHGGKFCOFGOYMT-KBPBESRZSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430748383 387646439 /nfs/dbraw/zinc/64/64/39/387646439.db2.gz DHGGKFCOFGOYMT-KGLIPLIRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430748384 192888763 /nfs/dbraw/zinc/88/87/63/192888763.db2.gz DHGGKFCOFGOYMT-UONOGXRCSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430748385 387647231 /nfs/dbraw/zinc/64/72/31/387647231.db2.gz DHGGKFCOFGOYMT-ZIAGYGMSSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000430749102 387646626 /nfs/dbraw/zinc/64/66/26/387646626.db2.gz SXJNVURMNDJAAF-AAEUAGOBSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000430749103 387647353 /nfs/dbraw/zinc/64/73/53/387647353.db2.gz SXJNVURMNDJAAF-DGCLKSJQSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000430749104 192888975 /nfs/dbraw/zinc/88/89/75/192888975.db2.gz SXJNVURMNDJAAF-WCQYABFASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000430749105 387646803 /nfs/dbraw/zinc/64/68/03/387646803.db2.gz SXJNVURMNDJAAF-YPMHNXCESA-N 1 0 243.341 3.756 20 30 BHEDRO CCC1(C)CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000430753076 192888562 /nfs/dbraw/zinc/88/85/62/192888562.db2.gz JEXAONIEWNSUMN-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)s1 ZINC000430755407 398230041 /nfs/dbraw/zinc/23/00/41/398230041.db2.gz QKMUAGNJHYOXIB-LLVKDONJSA-N 1 0 248.395 3.655 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)s1 ZINC000430755408 398230399 /nfs/dbraw/zinc/23/03/99/398230399.db2.gz QKMUAGNJHYOXIB-NSHDSACASA-N 1 0 248.395 3.655 20 30 BHEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(C)cc1 ZINC000430756914 398230144 /nfs/dbraw/zinc/23/01/44/398230144.db2.gz VBHJQBOEDDFKOB-HNNXBMFYSA-N 1 0 242.366 3.730 20 30 BHEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(C)cc1 ZINC000430756915 398230289 /nfs/dbraw/zinc/23/02/89/398230289.db2.gz VBHJQBOEDDFKOB-OAHLLOKOSA-N 1 0 242.366 3.730 20 30 BHEDRO C=CC[NH+](CC=C)CCSCc1ccccc1 ZINC000430760535 398231275 /nfs/dbraw/zinc/23/12/75/398231275.db2.gz JGZGZULYAXRDGJ-UHFFFAOYSA-N 1 0 247.407 3.594 20 30 BHEDRO CC(C)CC(CC(C)C)[NH2+]CC1(CC#N)CC1 ZINC000430760867 398231325 /nfs/dbraw/zinc/23/13/25/398231325.db2.gz KFXHYJDMVGKIRK-UHFFFAOYSA-N 1 0 236.403 3.731 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)c(C)c1 ZINC000430761346 398231314 /nfs/dbraw/zinc/23/13/14/398231314.db2.gz LRIBRBQSUMNIAJ-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)c(C)c1 ZINC000430761348 398231080 /nfs/dbraw/zinc/23/10/80/398231080.db2.gz LRIBRBQSUMNIAJ-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO C=CCCCC[NH2+]CCSCc1ccccc1 ZINC000430761669 398230178 /nfs/dbraw/zinc/23/01/78/398230178.db2.gz KUHSRUWUZOMHMO-UHFFFAOYSA-N 1 0 249.423 3.866 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000430762207 398231209 /nfs/dbraw/zinc/23/12/09/398231209.db2.gz NVTGFUMLGHLXKB-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000430762210 398231331 /nfs/dbraw/zinc/23/13/31/398231331.db2.gz NVTGFUMLGHLXKB-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO C=CC[N@H+](CCSCc1ccccc1)C1CC1 ZINC000430764078 398231375 /nfs/dbraw/zinc/23/13/75/398231375.db2.gz FNPFFNKKQARVRC-UHFFFAOYSA-N 1 0 247.407 3.570 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+]CC2(CC#N)CC2)c1C ZINC000430764535 398231169 /nfs/dbraw/zinc/23/11/69/398231169.db2.gz SJHRLGIGJWIFFN-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+]CC2(CC#N)CC2)c1C ZINC000430764538 398230926 /nfs/dbraw/zinc/23/09/26/398230926.db2.gz SJHRLGIGJWIFFN-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO C[C@H](CCC1CCCC1)[NH2+]CC1(CC#N)CC1 ZINC000430766708 398231944 /nfs/dbraw/zinc/23/19/44/398231944.db2.gz YEFUGFCZRJRSGA-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H](CCC1CCCC1)[NH2+]CC1(CC#N)CC1 ZINC000430766709 398231754 /nfs/dbraw/zinc/23/17/54/398231754.db2.gz YEFUGFCZRJRSGA-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C=C(C)CN(CC)c1cc[nH+]c2ccccc21 ZINC000432118659 387758546 /nfs/dbraw/zinc/75/85/46/387758546.db2.gz XGGASBJLQQJVEY-UHFFFAOYSA-N 1 0 226.323 3.637 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)CC1(C)CCC1 ZINC000432834840 387832621 /nfs/dbraw/zinc/83/26/21/387832621.db2.gz LLQGQKWVZOTYHP-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CC[N@@H+](CCc1ccco1)CC1(C)CCC1 ZINC000432861627 387834577 /nfs/dbraw/zinc/83/45/77/387834577.db2.gz XETTWQLEFUETQB-UHFFFAOYSA-N 1 0 233.355 3.500 20 30 BHEDRO C=CCN(C)Cc1ccc(F)c(Cl)c1Cl ZINC000432923070 387841801 /nfs/dbraw/zinc/84/18/01/387841801.db2.gz CZGDAFSBHODPOC-UHFFFAOYSA-N 1 0 248.128 3.750 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)CC1(C)CCC1 ZINC000432925823 387841840 /nfs/dbraw/zinc/84/18/40/387841840.db2.gz UHHZUWGZLZNXHY-UHFFFAOYSA-N 1 0 235.396 3.926 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000432925870 387840964 /nfs/dbraw/zinc/84/09/64/387840964.db2.gz BMOJEVVEPKDAIT-UHFFFAOYSA-N 1 0 249.301 3.775 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000432926061 387841377 /nfs/dbraw/zinc/84/13/77/387841377.db2.gz VUCLPNVOAXFUHM-UHFFFAOYSA-N 1 0 249.301 3.775 20 30 BHEDRO C=CCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433007524 387849154 /nfs/dbraw/zinc/84/91/54/387849154.db2.gz ACOCSADJJTYKKE-HNNXBMFYSA-N 1 0 228.339 3.587 20 30 BHEDRO C=CCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433007525 192973539 /nfs/dbraw/zinc/97/35/39/192973539.db2.gz ACOCSADJJTYKKE-OAHLLOKOSA-N 1 0 228.339 3.587 20 30 BHEDRO N#CCCC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000433009269 387849280 /nfs/dbraw/zinc/84/92/80/387849280.db2.gz GWITXWUKIMGAJO-INIZCTEOSA-N 1 0 242.366 3.811 20 30 BHEDRO N#CCCC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000433009271 387849219 /nfs/dbraw/zinc/84/92/19/387849219.db2.gz GWITXWUKIMGAJO-MRXNPFEDSA-N 1 0 242.366 3.811 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433013730 192975233 /nfs/dbraw/zinc/97/52/33/192975233.db2.gz YPZVXHLKWADXFC-HNNXBMFYSA-N 1 0 228.339 3.587 20 30 BHEDRO C=C(C)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433013731 387850132 /nfs/dbraw/zinc/85/01/32/387850132.db2.gz YPZVXHLKWADXFC-OAHLLOKOSA-N 1 0 228.339 3.587 20 30 BHEDRO CCCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433016235 387851254 /nfs/dbraw/zinc/85/12/54/387851254.db2.gz OTHLLIDVJSVLJK-HNNXBMFYSA-N 1 0 230.355 3.811 20 30 BHEDRO CCCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433016236 387851164 /nfs/dbraw/zinc/85/11/64/387851164.db2.gz OTHLLIDVJSVLJK-OAHLLOKOSA-N 1 0 230.355 3.811 20 30 BHEDRO N#CCCC[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000433019854 387850966 /nfs/dbraw/zinc/85/09/66/387850966.db2.gz AWFQKSWQDHWTAE-INIZCTEOSA-N 1 0 242.366 3.811 20 30 BHEDRO N#CCCC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000433019856 387851050 /nfs/dbraw/zinc/85/10/50/387851050.db2.gz AWFQKSWQDHWTAE-MRXNPFEDSA-N 1 0 242.366 3.811 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433020200 192975555 /nfs/dbraw/zinc/97/55/55/192975555.db2.gz RGMNXSXNMIZAAL-INIZCTEOSA-N 1 0 242.366 3.977 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433020201 411288394 /nfs/dbraw/zinc/28/83/94/411288394.db2.gz RGMNXSXNMIZAAL-MRXNPFEDSA-N 1 0 242.366 3.977 20 30 BHEDRO C[C@H](F)CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433023041 387852413 /nfs/dbraw/zinc/85/24/13/387852413.db2.gz ZAQHHOGVMYIFEN-DZGCQCFKSA-N 1 0 248.345 3.759 20 30 BHEDRO C[C@@H](F)CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433023043 387851754 /nfs/dbraw/zinc/85/17/54/387851754.db2.gz ZAQHHOGVMYIFEN-HIFRSBDPSA-N 1 0 248.345 3.759 20 30 BHEDRO C[C@@H](F)CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433023044 192974888 /nfs/dbraw/zinc/97/48/88/192974888.db2.gz ZAQHHOGVMYIFEN-UKRRQHHQSA-N 1 0 248.345 3.759 20 30 BHEDRO C[C@H](F)CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433023046 387571087 /nfs/dbraw/zinc/57/10/87/387571087.db2.gz ZAQHHOGVMYIFEN-ZFWWWQNUSA-N 1 0 248.345 3.759 20 30 BHEDRO N#CCCC[C@H]([NH2+]CCCCF)c1ccccc1 ZINC000433024462 387852169 /nfs/dbraw/zinc/85/21/69/387852169.db2.gz XJUIUINAOVOIGW-HNNXBMFYSA-N 1 0 248.345 3.761 20 30 BHEDRO CC[C@@H](F)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433024465 387851932 /nfs/dbraw/zinc/85/19/32/387851932.db2.gz CXSSZXJJGGJXCI-CABCVRRESA-N 1 0 248.345 3.759 20 30 BHEDRO CC[C@H](F)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433024466 192974902 /nfs/dbraw/zinc/97/49/02/192974902.db2.gz CXSSZXJJGGJXCI-GJZGRUSLSA-N 1 0 248.345 3.759 20 30 BHEDRO CC[C@@H](F)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433024467 387565677 /nfs/dbraw/zinc/56/56/77/387565677.db2.gz CXSSZXJJGGJXCI-HUUCEWRRSA-N 1 0 248.345 3.759 20 30 BHEDRO N#CCCC[C@@H]([NH2+]CCCCF)c1ccccc1 ZINC000433024468 387849147 /nfs/dbraw/zinc/84/91/47/387849147.db2.gz XJUIUINAOVOIGW-OAHLLOKOSA-N 1 0 248.345 3.761 20 30 BHEDRO CC[C@H](F)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433024475 387564509 /nfs/dbraw/zinc/56/45/09/387564509.db2.gz CXSSZXJJGGJXCI-LSDHHAIUSA-N 1 0 248.345 3.759 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433026747 387852191 /nfs/dbraw/zinc/85/21/91/387852191.db2.gz HMFPXZFDQYLHCR-INIZCTEOSA-N 1 0 242.366 3.977 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433026748 387852651 /nfs/dbraw/zinc/85/26/51/387852651.db2.gz HMFPXZFDQYLHCR-MRXNPFEDSA-N 1 0 242.366 3.977 20 30 BHEDRO C=CCCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433037720 192978645 /nfs/dbraw/zinc/97/86/45/192978645.db2.gz CDGMMMZFRFYTHM-INIZCTEOSA-N 1 0 242.366 3.977 20 30 BHEDRO C=CCCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433037721 387855079 /nfs/dbraw/zinc/85/50/79/387855079.db2.gz CDGMMMZFRFYTHM-MRXNPFEDSA-N 1 0 242.366 3.977 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433047951 397917018 /nfs/dbraw/zinc/91/70/18/397917018.db2.gz VDMHWQBCENLFLR-INIZCTEOSA-N 1 0 229.367 3.832 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433047952 397916952 /nfs/dbraw/zinc/91/69/52/397916952.db2.gz VDMHWQBCENLFLR-MRXNPFEDSA-N 1 0 229.367 3.832 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433048318 397916946 /nfs/dbraw/zinc/91/69/46/397916946.db2.gz WLOMSTFGPQPRER-INIZCTEOSA-N 1 0 229.367 3.614 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433048319 397917092 /nfs/dbraw/zinc/91/70/92/397917092.db2.gz WLOMSTFGPQPRER-MRXNPFEDSA-N 1 0 229.367 3.614 20 30 BHEDRO C=CCCCSCC[N@@H+](C)Cc1ccccc1 ZINC000433048436 397916913 /nfs/dbraw/zinc/91/69/13/397916913.db2.gz NCFXLDDUSLJGJB-UHFFFAOYSA-N 1 0 249.423 3.818 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433050321 387856926 /nfs/dbraw/zinc/85/69/26/387856926.db2.gz BOUSHFHNUZQRGY-INIZCTEOSA-N 1 0 242.366 3.560 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433050322 387857006 /nfs/dbraw/zinc/85/70/06/387857006.db2.gz BOUSHFHNUZQRGY-MRXNPFEDSA-N 1 0 242.366 3.560 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433061905 387859075 /nfs/dbraw/zinc/85/90/75/387859075.db2.gz MHHGQVBDWCVROZ-INIZCTEOSA-N 1 0 229.367 3.614 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433061907 387859773 /nfs/dbraw/zinc/85/97/73/387859773.db2.gz MHHGQVBDWCVROZ-MRXNPFEDSA-N 1 0 229.367 3.614 20 30 BHEDRO CC(C)C1CCC([N@H+](C)CCCCC#N)CC1 ZINC000433170220 201162730 /nfs/dbraw/zinc/16/27/30/201162730.db2.gz VDJDMGCMUVGLMF-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433285442 201172769 /nfs/dbraw/zinc/17/27/69/201172769.db2.gz HWGHZYCKCPVQRB-AWEZNQCLSA-N 1 0 230.355 3.619 20 30 BHEDRO CC[C@H](c1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433285443 201173459 /nfs/dbraw/zinc/17/34/59/201173459.db2.gz HWGHZYCKCPVQRB-CQSZACIVSA-N 1 0 230.355 3.619 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433294170 201173336 /nfs/dbraw/zinc/17/33/36/201173336.db2.gz KCZUKMWIIQCETE-CYBMUJFWSA-N 1 0 235.758 3.705 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433294171 201172830 /nfs/dbraw/zinc/17/28/30/201172830.db2.gz KCZUKMWIIQCETE-ZDUSSCGKSA-N 1 0 235.758 3.705 20 30 BHEDRO CC1(C)CC([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000433297528 387442288 /nfs/dbraw/zinc/44/22/88/387442288.db2.gz WNPQMYQJFUHZMP-HNNXBMFYSA-N 1 0 242.366 3.810 20 30 BHEDRO CC1(C)CC([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000433297529 387441966 /nfs/dbraw/zinc/44/19/66/387441966.db2.gz WNPQMYQJFUHZMP-OAHLLOKOSA-N 1 0 242.366 3.810 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300472 201180085 /nfs/dbraw/zinc/18/00/85/201180085.db2.gz DTOPZRZOSFWJSK-CYBMUJFWSA-N 1 0 235.758 3.705 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300473 201179526 /nfs/dbraw/zinc/17/95/26/201179526.db2.gz DTOPZRZOSFWJSK-ZDUSSCGKSA-N 1 0 235.758 3.705 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300619 201178283 /nfs/dbraw/zinc/17/82/83/201178283.db2.gz TXHKEFMUHRWFCG-AWEZNQCLSA-N 1 0 247.769 3.543 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300622 201180465 /nfs/dbraw/zinc/18/04/65/201180465.db2.gz TXHKEFMUHRWFCG-CQSZACIVSA-N 1 0 247.769 3.543 20 30 BHEDRO C[C@H]1CCC[C@@H](CC[N@H+](C)CC(C)(C)C#N)C1 ZINC000433301767 201178844 /nfs/dbraw/zinc/17/88/44/201178844.db2.gz WDTKSPSHSCUAJY-KBPBESRZSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H]1CCC[C@@H](CC[N@H+](C)CC(C)(C)C#N)C1 ZINC000433301768 201179981 /nfs/dbraw/zinc/17/99/81/201179981.db2.gz WDTKSPSHSCUAJY-KGLIPLIRSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H]1CCC[C@H](CC[N@H+](C)CC(C)(C)C#N)C1 ZINC000433301769 201178609 /nfs/dbraw/zinc/17/86/09/201178609.db2.gz WDTKSPSHSCUAJY-UONOGXRCSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H]1CCC[C@H](CC[N@H+](C)CC(C)(C)C#N)C1 ZINC000433301770 201177932 /nfs/dbraw/zinc/17/79/32/201177932.db2.gz WDTKSPSHSCUAJY-ZIAGYGMSSA-N 1 0 236.403 3.684 20 30 BHEDRO Cc1cccc([C@@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433306610 201178761 /nfs/dbraw/zinc/17/87/61/201178761.db2.gz STWNHTGCXZIUSN-CYBMUJFWSA-N 1 0 230.355 3.538 20 30 BHEDRO Cc1cccc([C@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433306611 201178580 /nfs/dbraw/zinc/17/85/80/201178580.db2.gz STWNHTGCXZIUSN-ZDUSSCGKSA-N 1 0 230.355 3.538 20 30 BHEDRO C[N@H+](CC(C)(C)C#N)[C@H]1CCCc2ccccc21 ZINC000433311098 201179500 /nfs/dbraw/zinc/17/95/00/201179500.db2.gz FRTAOKOUWJNOSZ-HNNXBMFYSA-N 1 0 242.366 3.546 20 30 BHEDRO C[N@H+](CC(C)(C)C#N)[C@@H]1CCCc2ccccc21 ZINC000433311099 201180517 /nfs/dbraw/zinc/18/05/17/201180517.db2.gz FRTAOKOUWJNOSZ-OAHLLOKOSA-N 1 0 242.366 3.546 20 30 BHEDRO Cc1ccccc1[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433316965 201179062 /nfs/dbraw/zinc/17/90/62/201179062.db2.gz BXLHDEKTTKLLMY-CYBMUJFWSA-N 1 0 230.355 3.538 20 30 BHEDRO Cc1ccccc1[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433316966 201178360 /nfs/dbraw/zinc/17/83/60/201178360.db2.gz BXLHDEKTTKLLMY-ZDUSSCGKSA-N 1 0 230.355 3.538 20 30 BHEDRO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433321570 201181480 /nfs/dbraw/zinc/18/14/80/201181480.db2.gz YFAZFXZNCGSKIB-AWEZNQCLSA-N 1 0 248.345 3.758 20 30 BHEDRO CC[C@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433321573 201182103 /nfs/dbraw/zinc/18/21/03/201182103.db2.gz YFAZFXZNCGSKIB-CQSZACIVSA-N 1 0 248.345 3.758 20 30 BHEDRO CCCC[C@@H](CC)C[N@H+](C)CC(C)(C)C#N ZINC000433327323 201182881 /nfs/dbraw/zinc/18/28/81/201182881.db2.gz RRNDMVPSPLKPCF-CYBMUJFWSA-N 1 0 224.392 3.684 20 30 BHEDRO CCCC[C@H](CC)C[N@H+](C)CC(C)(C)C#N ZINC000433327324 201182355 /nfs/dbraw/zinc/18/23/55/201182355.db2.gz RRNDMVPSPLKPCF-ZDUSSCGKSA-N 1 0 224.392 3.684 20 30 BHEDRO C=CC[N@H+](C)CCc1cccc(Cl)c1Cl ZINC000434478753 201220873 /nfs/dbraw/zinc/22/08/73/201220873.db2.gz HPEDELUOLWPSAB-UHFFFAOYSA-N 1 0 244.165 3.654 20 30 BHEDRO C=C(C)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434493187 201223370 /nfs/dbraw/zinc/22/33/70/201223370.db2.gz SCMAWXGVKXWGKI-UHFFFAOYSA-N 1 0 233.330 3.523 20 30 BHEDRO C=CCCC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434496231 201223313 /nfs/dbraw/zinc/22/33/13/201223313.db2.gz GTNIAJRKLLGMTD-UHFFFAOYSA-N 1 0 247.357 3.913 20 30 BHEDRO C=CC[N@@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434611796 201229066 /nfs/dbraw/zinc/22/90/66/201229066.db2.gz KWRRYWRJYNFUCU-AWEZNQCLSA-N 1 0 221.319 3.641 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434611797 201227937 /nfs/dbraw/zinc/22/79/37/201227937.db2.gz KWRRYWRJYNFUCU-CQSZACIVSA-N 1 0 221.319 3.641 20 30 BHEDRO CC#CCC[N@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434616629 201228534 /nfs/dbraw/zinc/22/85/34/201228534.db2.gz IJOLCEQBDPENNV-INIZCTEOSA-N 1 0 247.357 3.868 20 30 BHEDRO CC#CCC[N@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434616630 201230616 /nfs/dbraw/zinc/23/06/16/201230616.db2.gz IJOLCEQBDPENNV-MRXNPFEDSA-N 1 0 247.357 3.868 20 30 BHEDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCCC#N ZINC000434620828 201228337 /nfs/dbraw/zinc/22/83/37/201228337.db2.gz MBQFGTWSVVTPQN-HNNXBMFYSA-N 1 0 248.345 3.758 20 30 BHEDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCCC#N ZINC000434620829 201228141 /nfs/dbraw/zinc/22/81/41/201228141.db2.gz MBQFGTWSVVTPQN-OAHLLOKOSA-N 1 0 248.345 3.758 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434900463 201245230 /nfs/dbraw/zinc/24/52/30/201245230.db2.gz NATQZHGTLUBIQJ-GDBMZVCRSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434900464 201245472 /nfs/dbraw/zinc/24/54/72/201245472.db2.gz NATQZHGTLUBIQJ-GOEBONIOSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434900465 201245173 /nfs/dbraw/zinc/24/51/73/201245173.db2.gz NATQZHGTLUBIQJ-HOCLYGCPSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434900466 201245070 /nfs/dbraw/zinc/24/50/70/201245070.db2.gz NATQZHGTLUBIQJ-ZBFHGGJFSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CC[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000434909811 201244983 /nfs/dbraw/zinc/24/49/83/201244983.db2.gz QMPQXSLRWXHHAU-INIZCTEOSA-N 1 0 229.367 3.517 20 30 BHEDRO C=CC[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000434909812 201246321 /nfs/dbraw/zinc/24/63/21/201246321.db2.gz QMPQXSLRWXHHAU-MRXNPFEDSA-N 1 0 229.367 3.517 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000434979236 201248591 /nfs/dbraw/zinc/24/85/91/201248591.db2.gz RKBJBFICLKVMFV-HNNXBMFYSA-N 1 0 242.366 3.763 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000434979237 201247450 /nfs/dbraw/zinc/24/74/50/201247450.db2.gz RKBJBFICLKVMFV-OAHLLOKOSA-N 1 0 242.366 3.763 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436237716 201313498 /nfs/dbraw/zinc/31/34/98/201313498.db2.gz BULBHFMGFNLTLV-BPUTZDHNSA-N 1 0 229.367 3.877 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436237722 201314664 /nfs/dbraw/zinc/31/46/64/201314664.db2.gz BULBHFMGFNLTLV-CWRNSKLLSA-N 1 0 229.367 3.877 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436237723 201313912 /nfs/dbraw/zinc/31/39/12/201313912.db2.gz BULBHFMGFNLTLV-IMJJTQAJSA-N 1 0 229.367 3.877 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436237726 201314207 /nfs/dbraw/zinc/31/42/07/201314207.db2.gz BULBHFMGFNLTLV-NUEKZKHPSA-N 1 0 229.367 3.877 20 30 BHEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000436268778 201317573 /nfs/dbraw/zinc/31/75/73/201317573.db2.gz VQKZBQXWXZHIOY-HUUCEWRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(SC)cc1 ZINC000436292512 201319279 /nfs/dbraw/zinc/31/92/79/201319279.db2.gz NGJMWOZNGMMWPL-CYBMUJFWSA-N 1 0 249.423 3.895 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(SC)cc1 ZINC000436292540 201318660 /nfs/dbraw/zinc/31/86/60/201318660.db2.gz NGJMWOZNGMMWPL-ZDUSSCGKSA-N 1 0 249.423 3.895 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436295963 201321678 /nfs/dbraw/zinc/32/16/78/201321678.db2.gz SSJLQDQESSZCAB-BPUTZDHNSA-N 1 0 229.367 3.877 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436295964 201321663 /nfs/dbraw/zinc/32/16/63/201321663.db2.gz SSJLQDQESSZCAB-FVQBIDKESA-N 1 0 229.367 3.877 20 30 BHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C(CCC)CCC ZINC000436302408 201321299 /nfs/dbraw/zinc/32/12/99/201321299.db2.gz UKRCFBBCKIMMLB-DZGCQCFKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C(CCC)CCC ZINC000436302409 201321495 /nfs/dbraw/zinc/32/14/95/201321495.db2.gz UKRCFBBCKIMMLB-HIFRSBDPSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C(CCC)CCC ZINC000436302410 201320861 /nfs/dbraw/zinc/32/08/61/201320861.db2.gz UKRCFBBCKIMMLB-UKRRQHHQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C(CCC)CCC ZINC000436302411 201321485 /nfs/dbraw/zinc/32/14/85/201321485.db2.gz UKRCFBBCKIMMLB-ZFWWWQNUSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)CCCC ZINC000436311894 201320977 /nfs/dbraw/zinc/32/09/77/201320977.db2.gz YHSQEHHADPMFBI-ILXRZTDVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)CCCC ZINC000436311895 201321294 /nfs/dbraw/zinc/32/12/94/201321294.db2.gz YHSQEHHADPMFBI-KFWWJZLASA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)CCCC ZINC000436311896 201320871 /nfs/dbraw/zinc/32/08/71/201320871.db2.gz YHSQEHHADPMFBI-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)CCCC ZINC000436311897 201321641 /nfs/dbraw/zinc/32/16/41/201321641.db2.gz YHSQEHHADPMFBI-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436407017 201323963 /nfs/dbraw/zinc/32/39/63/201323963.db2.gz DMHBUZWJYLZXEY-UHFFFAOYSA-N 1 0 246.329 3.753 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000436415224 201324460 /nfs/dbraw/zinc/32/44/60/201324460.db2.gz WSAFPGFKCUYCON-DZGCQCFKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000436415225 201324064 /nfs/dbraw/zinc/32/40/64/201324064.db2.gz WSAFPGFKCUYCON-HIFRSBDPSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000436415226 201324984 /nfs/dbraw/zinc/32/49/84/201324984.db2.gz WSAFPGFKCUYCON-UKRRQHHQSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000436415229 201324790 /nfs/dbraw/zinc/32/47/90/201324790.db2.gz WSAFPGFKCUYCON-ZFWWWQNUSA-N 1 0 245.366 3.530 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000437045181 201342782 /nfs/dbraw/zinc/34/27/82/201342782.db2.gz JQQVLWUIUNPLON-GYSYKLTISA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000437045184 206068997 /nfs/dbraw/zinc/06/89/97/206068997.db2.gz JQQVLWUIUNPLON-JTNHKYCSSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000437045185 206067646 /nfs/dbraw/zinc/06/76/46/206067646.db2.gz JQQVLWUIUNPLON-SUNKGSAMSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000437045187 206068608 /nfs/dbraw/zinc/06/86/08/206068608.db2.gz JQQVLWUIUNPLON-UHIISALHSA-N 1 0 246.329 3.537 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437097141 385858603 /nfs/dbraw/zinc/85/86/03/385858603.db2.gz ZUZBBBSPBMIAKR-BXUZGUMPSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437097148 385858422 /nfs/dbraw/zinc/85/84/22/385858422.db2.gz ZUZBBBSPBMIAKR-SMDDNHRTSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(CSC)c1 ZINC000437109438 201346313 /nfs/dbraw/zinc/34/63/13/201346313.db2.gz XHZLXLZRECACCM-CYBMUJFWSA-N 1 0 249.423 3.994 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(CSC)c1 ZINC000437109439 201345101 /nfs/dbraw/zinc/34/51/01/201345101.db2.gz XHZLXLZRECACCM-ZDUSSCGKSA-N 1 0 249.423 3.994 20 30 BHEDRO C=CC[NH+](CC=C)C[C@@H](C)c1ccc(F)cc1 ZINC000437578235 201358397 /nfs/dbraw/zinc/35/83/97/201358397.db2.gz LHYIDGNGKKNVQZ-CYBMUJFWSA-N 1 0 233.330 3.603 20 30 BHEDRO C=CC[NH+](CC=C)C[C@H](C)c1ccc(F)cc1 ZINC000437578238 201358377 /nfs/dbraw/zinc/35/83/77/201358377.db2.gz LHYIDGNGKKNVQZ-ZDUSSCGKSA-N 1 0 233.330 3.603 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC000437580284 201356261 /nfs/dbraw/zinc/35/62/61/201356261.db2.gz UEJZWHJPVDHWGT-AWEZNQCLSA-N 1 0 247.357 3.545 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC000437580285 201358500 /nfs/dbraw/zinc/35/85/00/201358500.db2.gz UEJZWHJPVDHWGT-CQSZACIVSA-N 1 0 247.357 3.545 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc2c(cccc2F)[nH]1 ZINC000437589915 201359798 /nfs/dbraw/zinc/35/97/98/201359798.db2.gz LIDOULOOEAXCDQ-UHFFFAOYSA-N 1 0 246.329 3.705 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@@H](C)c1ccc(F)cc1 ZINC000437595488 201359298 /nfs/dbraw/zinc/35/92/98/201359298.db2.gz YVTSHKMTICMINF-CYBMUJFWSA-N 1 0 235.346 3.827 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@H](C)c1ccc(F)cc1 ZINC000437595491 201361216 /nfs/dbraw/zinc/36/12/16/201361216.db2.gz YVTSHKMTICMINF-ZDUSSCGKSA-N 1 0 235.346 3.827 20 30 BHEDRO CCCC[C@H](CC)CC[N@H+](C)C[C@@H](C)C#N ZINC000437596067 201359732 /nfs/dbraw/zinc/35/97/32/201359732.db2.gz USHFWERTWGJVAO-KBPBESRZSA-N 1 0 224.392 3.684 20 30 BHEDRO CCCC[C@H](CC)CC[N@H+](C)C[C@H](C)C#N ZINC000437596068 201360387 /nfs/dbraw/zinc/36/03/87/201360387.db2.gz USHFWERTWGJVAO-KGLIPLIRSA-N 1 0 224.392 3.684 20 30 BHEDRO CCCC[C@@H](CC)CC[N@H+](C)C[C@@H](C)C#N ZINC000437596069 201360078 /nfs/dbraw/zinc/36/00/78/201360078.db2.gz USHFWERTWGJVAO-UONOGXRCSA-N 1 0 224.392 3.684 20 30 BHEDRO CCCC[C@@H](CC)CC[N@H+](C)C[C@H](C)C#N ZINC000437596070 201359714 /nfs/dbraw/zinc/35/97/14/201359714.db2.gz USHFWERTWGJVAO-ZIAGYGMSSA-N 1 0 224.392 3.684 20 30 BHEDRO CCCC[C@H](CC)CC[NH+]1CCC(C#N)CC1 ZINC000437728808 206071288 /nfs/dbraw/zinc/07/12/88/206071288.db2.gz OQRWZYCMUBMMMS-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO CCCC[C@@H](CC)CC[NH+]1CCC(C#N)CC1 ZINC000437728809 206070646 /nfs/dbraw/zinc/07/06/46/206070646.db2.gz OQRWZYCMUBMMMS-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO C=C(C)C[N@H+](C)CCCCCOc1ccccc1 ZINC000437802666 201376842 /nfs/dbraw/zinc/37/68/42/201376842.db2.gz RWUODDPSGICEHS-UHFFFAOYSA-N 1 0 247.382 3.744 20 30 BHEDRO C=CC[N@@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437959786 201382304 /nfs/dbraw/zinc/38/23/04/201382304.db2.gz UMAVTKSZXVPUNB-CVEARBPZSA-N 1 0 229.367 3.615 20 30 BHEDRO C=CC[N@@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437959792 201380260 /nfs/dbraw/zinc/38/02/60/201380260.db2.gz UMAVTKSZXVPUNB-HOTGVXAUSA-N 1 0 229.367 3.615 20 30 BHEDRO C=CC[N@@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437959797 201380892 /nfs/dbraw/zinc/38/08/92/201380892.db2.gz UMAVTKSZXVPUNB-HZPDHXFCSA-N 1 0 229.367 3.615 20 30 BHEDRO C=CC[N@@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437959803 201380647 /nfs/dbraw/zinc/38/06/47/201380647.db2.gz UMAVTKSZXVPUNB-JKSUJKDBSA-N 1 0 229.367 3.615 20 30 BHEDRO C=CC[N@@H+](C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000437978002 201381198 /nfs/dbraw/zinc/38/11/98/201381198.db2.gz LKAISXMTYLFDCT-GFCCVEGCSA-N 1 0 233.330 3.580 20 30 BHEDRO C=CC[N@@H+](C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000437978003 201380387 /nfs/dbraw/zinc/38/03/87/201380387.db2.gz LKAISXMTYLFDCT-LBPRGKRZSA-N 1 0 233.330 3.580 20 30 BHEDRO C[N@H+](CC#Cc1cccc(Cl)c1)CC(C)(C)C ZINC000438057189 201384410 /nfs/dbraw/zinc/38/44/10/201384410.db2.gz AFUHNNHBUUKOKX-UHFFFAOYSA-N 1 0 249.785 3.669 20 30 BHEDRO CC1(C)CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000438076280 201386065 /nfs/dbraw/zinc/38/60/65/201386065.db2.gz TYSCBJJWNGNAQV-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)C1CCC1 ZINC000438094622 201388145 /nfs/dbraw/zinc/38/81/45/201388145.db2.gz NNUWIEQVTBRMKB-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO C=C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000438119610 201391584 /nfs/dbraw/zinc/39/15/84/201391584.db2.gz UGBSFDMZPRAELZ-CYBMUJFWSA-N 1 0 233.330 3.581 20 30 BHEDRO C=C1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000438119611 201391785 /nfs/dbraw/zinc/39/17/85/201391785.db2.gz UGBSFDMZPRAELZ-ZDUSSCGKSA-N 1 0 233.330 3.581 20 30 BHEDRO CCCC[C@H](CC)CC[N@H+](C)[C@@H](C)CC#N ZINC000438125399 201394330 /nfs/dbraw/zinc/39/43/30/201394330.db2.gz WORCFOLFJMQGAN-KBPBESRZSA-N 1 0 224.392 3.827 20 30 BHEDRO CCCC[C@H](CC)CC[N@H+](C)[C@H](C)CC#N ZINC000438125423 201394369 /nfs/dbraw/zinc/39/43/69/201394369.db2.gz WORCFOLFJMQGAN-KGLIPLIRSA-N 1 0 224.392 3.827 20 30 BHEDRO CCCC[C@@H](CC)CC[N@H+](C)[C@@H](C)CC#N ZINC000438125426 201395365 /nfs/dbraw/zinc/39/53/65/201395365.db2.gz WORCFOLFJMQGAN-UONOGXRCSA-N 1 0 224.392 3.827 20 30 BHEDRO CCCC[C@@H](CC)CC[N@H+](C)[C@H](C)CC#N ZINC000438125427 201395553 /nfs/dbraw/zinc/39/55/53/201395553.db2.gz WORCFOLFJMQGAN-ZIAGYGMSSA-N 1 0 224.392 3.827 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000438130691 201395650 /nfs/dbraw/zinc/39/56/50/201395650.db2.gz VRIJZMSKGKHRGV-CYBMUJFWSA-N 1 0 235.346 3.827 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000438130805 201394628 /nfs/dbraw/zinc/39/46/28/201394628.db2.gz VRIJZMSKGKHRGV-ZDUSSCGKSA-N 1 0 235.346 3.827 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000438132478 201394667 /nfs/dbraw/zinc/39/46/67/201394667.db2.gz ZEXQNWPWXDUANF-UHFFFAOYSA-N 1 0 246.329 3.705 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438199484 201398240 /nfs/dbraw/zinc/39/82/40/201398240.db2.gz LORLXOVACXKJQY-BPUTZDHNSA-N 1 0 229.367 3.562 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438199487 201399061 /nfs/dbraw/zinc/39/90/61/201399061.db2.gz LORLXOVACXKJQY-CWRNSKLLSA-N 1 0 229.367 3.562 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438199490 201398184 /nfs/dbraw/zinc/39/81/84/201398184.db2.gz LORLXOVACXKJQY-IMJJTQAJSA-N 1 0 229.367 3.562 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438199491 201398798 /nfs/dbraw/zinc/39/87/98/201398798.db2.gz LORLXOVACXKJQY-NUEKZKHPSA-N 1 0 229.367 3.562 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438201934 201398560 /nfs/dbraw/zinc/39/85/60/201398560.db2.gz RCARZONAKPRUIT-BPUTZDHNSA-N 1 0 229.367 3.661 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438201935 201399526 /nfs/dbraw/zinc/39/95/26/201399526.db2.gz RCARZONAKPRUIT-CWRNSKLLSA-N 1 0 229.367 3.661 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438201936 201398298 /nfs/dbraw/zinc/39/82/98/201398298.db2.gz RCARZONAKPRUIT-IMJJTQAJSA-N 1 0 229.367 3.661 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438201937 201399464 /nfs/dbraw/zinc/39/94/64/201399464.db2.gz RCARZONAKPRUIT-NUEKZKHPSA-N 1 0 229.367 3.661 20 30 BHEDRO CC(C)[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000438343989 387925943 /nfs/dbraw/zinc/92/59/43/387925943.db2.gz DQLMVJGEAONOJE-AWEZNQCLSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000438343990 387924045 /nfs/dbraw/zinc/92/40/45/387924045.db2.gz DQLMVJGEAONOJE-CQSZACIVSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCCCC(C)(C)C1 ZINC000438345740 201403480 /nfs/dbraw/zinc/40/34/80/201403480.db2.gz AOWBMKTXRLOHNS-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CC1(C)CCCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000438348118 385972309 /nfs/dbraw/zinc/97/23/09/385972309.db2.gz JLASTCFYDCKDSR-UHFFFAOYSA-N 1 0 248.395 3.632 20 30 BHEDRO CC1(C)CCCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000438350528 385971293 /nfs/dbraw/zinc/97/12/93/385971293.db2.gz VMZVASOXFOMXLR-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CC1(C)CCCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000438364030 398191339 /nfs/dbraw/zinc/19/13/39/398191339.db2.gz IZKQAFRQGIQBQQ-UHFFFAOYSA-N 1 0 248.395 3.632 20 30 BHEDRO CC1(C)CCCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000438369903 398191748 /nfs/dbraw/zinc/19/17/48/398191748.db2.gz FOMZCOJKYQSJNW-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000438375544 411448575 /nfs/dbraw/zinc/44/85/75/411448575.db2.gz NFLHETLUYIVWST-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000438529974 387940972 /nfs/dbraw/zinc/94/09/72/387940972.db2.gz FHQDJHWBFVKKCG-BETUJISGSA-N 1 0 247.769 3.564 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC#Cc1cccc(Cl)c1 ZINC000438529976 387940691 /nfs/dbraw/zinc/94/06/91/387940691.db2.gz FHQDJHWBFVKKCG-CHWSQXEVSA-N 1 0 247.769 3.564 20 30 BHEDRO C[C@H]1CC[C@H](C)[NH+]1CC#Cc1cccc(Cl)c1 ZINC000438529977 387941957 /nfs/dbraw/zinc/94/19/57/387941957.db2.gz FHQDJHWBFVKKCG-STQMWFEESA-N 1 0 247.769 3.564 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000439074041 387978570 /nfs/dbraw/zinc/97/85/70/387978570.db2.gz CXUUYHUZMXKFLK-HNNXBMFYSA-N 1 0 233.330 3.660 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000439074281 201433540 /nfs/dbraw/zinc/43/35/40/201433540.db2.gz CXUUYHUZMXKFLK-OAHLLOKOSA-N 1 0 233.330 3.660 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1ccc(F)cc1)C1CC1 ZINC000439075811 387978084 /nfs/dbraw/zinc/97/80/84/387978084.db2.gz GRDVIMKFCBRBER-INIZCTEOSA-N 1 0 247.357 3.703 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1ccc(F)cc1)C1CC1 ZINC000439075812 387978186 /nfs/dbraw/zinc/97/81/86/387978186.db2.gz GRDVIMKFCBRBER-MRXNPFEDSA-N 1 0 247.357 3.703 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)cc1)C1CC1 ZINC000439076940 387977793 /nfs/dbraw/zinc/97/77/93/387977793.db2.gz HTJHPILOPYZEJH-INIZCTEOSA-N 1 0 229.367 3.829 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)cc1)C1CC1 ZINC000439076941 387978390 /nfs/dbraw/zinc/97/83/90/387978390.db2.gz HTJHPILOPYZEJH-MRXNPFEDSA-N 1 0 229.367 3.829 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1cccc(C)c1)C1CC1 ZINC000439077406 387977651 /nfs/dbraw/zinc/97/76/51/387977651.db2.gz LDXFODVIQDYMCR-INIZCTEOSA-N 1 0 229.367 3.829 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C)c1)C1CC1 ZINC000439077407 387977981 /nfs/dbraw/zinc/97/79/81/387977981.db2.gz LDXFODVIQDYMCR-MRXNPFEDSA-N 1 0 229.367 3.829 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccccc1C)C1CC1 ZINC000439077522 387978237 /nfs/dbraw/zinc/97/82/37/387978237.db2.gz MPWJLGBITAOTGO-INIZCTEOSA-N 1 0 229.367 3.829 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1C)C1CC1 ZINC000439077523 387978074 /nfs/dbraw/zinc/97/80/74/387978074.db2.gz MPWJLGBITAOTGO-MRXNPFEDSA-N 1 0 229.367 3.829 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC000439078789 387977405 /nfs/dbraw/zinc/97/74/05/387977405.db2.gz PDZFZOMZZJRTQR-HNNXBMFYSA-N 1 0 233.330 3.660 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC000439078791 201433008 /nfs/dbraw/zinc/43/30/08/201433008.db2.gz PDZFZOMZZJRTQR-OAHLLOKOSA-N 1 0 233.330 3.660 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1ccccc1F)C1CC1 ZINC000439080731 387978550 /nfs/dbraw/zinc/97/85/50/387978550.db2.gz YWIGVBRJVACLIZ-INIZCTEOSA-N 1 0 247.357 3.703 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1ccccc1F)C1CC1 ZINC000439080733 201433742 /nfs/dbraw/zinc/43/37/42/201433742.db2.gz YWIGVBRJVACLIZ-MRXNPFEDSA-N 1 0 247.357 3.703 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCc1ccccc1)C1CC1 ZINC000439085409 387977751 /nfs/dbraw/zinc/97/77/51/387977751.db2.gz NWVYRTSWYPRZRW-KRWDZBQOSA-N 1 0 243.394 3.954 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCc1ccccc1)C1CC1 ZINC000439085410 387977545 /nfs/dbraw/zinc/97/75/45/387977545.db2.gz NWVYRTSWYPRZRW-QGZVFWFLSA-N 1 0 243.394 3.954 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000439087697 387978033 /nfs/dbraw/zinc/97/80/33/387978033.db2.gz PDJNJCJASFQRSQ-HNNXBMFYSA-N 1 0 233.330 3.660 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000439087698 201434267 /nfs/dbraw/zinc/43/42/67/201434267.db2.gz PDJNJCJASFQRSQ-OAHLLOKOSA-N 1 0 233.330 3.660 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439318609 387994566 /nfs/dbraw/zinc/99/45/66/387994566.db2.gz PKJKZVKRFUYBMZ-GDBMZVCRSA-N 1 0 229.367 3.831 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439318610 387993809 /nfs/dbraw/zinc/99/38/09/387993809.db2.gz PKJKZVKRFUYBMZ-GOEBONIOSA-N 1 0 229.367 3.831 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439318611 206075923 /nfs/dbraw/zinc/07/59/23/206075923.db2.gz PKJKZVKRFUYBMZ-HOCLYGCPSA-N 1 0 229.367 3.831 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439318612 387994130 /nfs/dbraw/zinc/99/41/30/387994130.db2.gz PKJKZVKRFUYBMZ-ZBFHGGJFSA-N 1 0 229.367 3.831 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439320586 387994655 /nfs/dbraw/zinc/99/46/55/387994655.db2.gz ODUUQQXARJXWFL-DOTOQJQBSA-N 1 0 241.378 3.668 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439320587 387993263 /nfs/dbraw/zinc/99/32/63/387993263.db2.gz ODUUQQXARJXWFL-NVXWUHKLSA-N 1 0 241.378 3.668 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439320589 387993565 /nfs/dbraw/zinc/99/35/65/387993565.db2.gz ODUUQQXARJXWFL-RDJZCZTQSA-N 1 0 241.378 3.668 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439320590 206075464 /nfs/dbraw/zinc/07/54/64/206075464.db2.gz ODUUQQXARJXWFL-WBVHZDCISA-N 1 0 241.378 3.668 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439441476 387998935 /nfs/dbraw/zinc/99/89/35/387998935.db2.gz JXUNONQWQQYXOI-UHFFFAOYSA-N 1 0 248.757 3.610 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C#N)cc1Cl ZINC000439443922 387998996 /nfs/dbraw/zinc/99/89/96/387998996.db2.gz AXADDDSIJRXUAD-UHFFFAOYSA-N 1 0 248.757 3.610 20 30 BHEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439444349 387047410 /nfs/dbraw/zinc/04/74/10/387047410.db2.gz UMMYUJZYGFDMLW-UHFFFAOYSA-N 1 0 248.757 3.584 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)cc1Cl)C1CCC1 ZINC000439449880 387047091 /nfs/dbraw/zinc/04/70/91/387047091.db2.gz WBAWHRBKHMZEDB-UHFFFAOYSA-N 1 0 248.757 3.586 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(C#N)cc1Cl ZINC000439455066 387055221 /nfs/dbraw/zinc/05/52/21/387055221.db2.gz TZJWGQAAWBLAHO-GHMZBOCLSA-N 1 0 248.757 3.584 20 30 BHEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439455067 201448999 /nfs/dbraw/zinc/44/89/99/201448999.db2.gz TZJWGQAAWBLAHO-PHIMTYICSA-N 1 0 248.757 3.584 20 30 BHEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(C#N)cc1Cl ZINC000439455068 387999014 /nfs/dbraw/zinc/99/90/14/387999014.db2.gz TZJWGQAAWBLAHO-QWRGUYRKSA-N 1 0 248.757 3.584 20 30 BHEDRO C=CC[NH+](CC=C)CCCc1ccccc1C ZINC000440310449 388039075 /nfs/dbraw/zinc/03/90/75/388039075.db2.gz DJOWCZPOYXWKGV-UHFFFAOYSA-N 1 0 229.367 3.602 20 30 BHEDRO C=C1CC[NH+](CCCc2ccccc2C)CC1 ZINC000440319167 388038704 /nfs/dbraw/zinc/03/87/04/388038704.db2.gz XJLITXDDRYCCJL-UHFFFAOYSA-N 1 0 229.367 3.580 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](F)CC ZINC000440513982 388048546 /nfs/dbraw/zinc/04/85/46/388048546.db2.gz KZPHXLNFFKPIPS-HNNXBMFYSA-N 1 0 235.346 3.813 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](F)CC ZINC000440513984 388049453 /nfs/dbraw/zinc/04/94/53/388049453.db2.gz KZPHXLNFFKPIPS-OAHLLOKOSA-N 1 0 235.346 3.813 20 30 BHEDRO CC[C@H](F)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000440689385 387505426 /nfs/dbraw/zinc/50/54/26/387505426.db2.gz BJKOHAPRMSPBHU-DOMZBBRYSA-N 1 0 248.345 3.689 20 30 BHEDRO CC[C@@H](F)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000440689386 387505699 /nfs/dbraw/zinc/50/56/99/387505699.db2.gz BJKOHAPRMSPBHU-IUODEOHRSA-N 1 0 248.345 3.689 20 30 BHEDRO CC[C@@H](F)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000440689388 387505389 /nfs/dbraw/zinc/50/53/89/387505389.db2.gz BJKOHAPRMSPBHU-SWLSCSKDSA-N 1 0 248.345 3.689 20 30 BHEDRO CC[C@H](F)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000440689390 387506106 /nfs/dbraw/zinc/50/61/06/387506106.db2.gz BJKOHAPRMSPBHU-WFASDCNBSA-N 1 0 248.345 3.689 20 30 BHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](F)CC ZINC000440711581 387539347 /nfs/dbraw/zinc/53/93/47/387539347.db2.gz NWCXMSXGVTWVPV-HNNXBMFYSA-N 1 0 248.345 3.518 20 30 BHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](F)CC ZINC000440711584 387539698 /nfs/dbraw/zinc/53/96/98/387539698.db2.gz NWCXMSXGVTWVPV-OAHLLOKOSA-N 1 0 248.345 3.518 20 30 BHEDRO CC[C@H](F)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000440714177 387542652 /nfs/dbraw/zinc/54/26/52/387542652.db2.gz PYFFFXKMYYRCKV-HNNXBMFYSA-N 1 0 248.345 3.517 20 30 BHEDRO CC[C@@H](F)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000440714180 387542499 /nfs/dbraw/zinc/54/24/99/387542499.db2.gz PYFFFXKMYYRCKV-OAHLLOKOSA-N 1 0 248.345 3.517 20 30 BHEDRO CCC(CC)(CC)[NH2+]CC#Cc1ccc(F)cc1 ZINC000440725167 387684598 /nfs/dbraw/zinc/68/45/98/387684598.db2.gz APQFKBCRNIOSLU-UHFFFAOYSA-N 1 0 247.357 3.736 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccc(F)cc1C#N ZINC000440736310 387572862 /nfs/dbraw/zinc/57/28/62/387572862.db2.gz PTGRADJSBCZSII-UHFFFAOYSA-N 1 0 248.345 3.756 20 30 BHEDRO CC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441141482 387730548 /nfs/dbraw/zinc/73/05/48/387730548.db2.gz CXROVHLLGAJXLG-AWEZNQCLSA-N 1 0 247.769 3.566 20 30 BHEDRO CC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441141483 387730601 /nfs/dbraw/zinc/73/06/01/387730601.db2.gz CXROVHLLGAJXLG-CQSZACIVSA-N 1 0 247.769 3.566 20 30 BHEDRO C[N@H+](CC#Cc1ccccc1Cl)C1CCCC1 ZINC000441145262 387730285 /nfs/dbraw/zinc/73/02/85/387730285.db2.gz LMFBFAHCHCJCOV-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO C=CCCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441146150 387731249 /nfs/dbraw/zinc/73/12/49/387731249.db2.gz MMMAEKMRXMSXCZ-UHFFFAOYSA-N 1 0 247.769 3.590 20 30 BHEDRO CC[N@H+](CC#Cc1ccccc1Cl)CC(C)C ZINC000441147993 387730435 /nfs/dbraw/zinc/73/04/35/387730435.db2.gz YZCNVCRWOQUXRK-UHFFFAOYSA-N 1 0 249.785 3.669 20 30 BHEDRO C[N@H+](CC#Cc1ccccc1Cl)CC(C)(C)C ZINC000441150489 387732532 /nfs/dbraw/zinc/73/25/32/387732532.db2.gz YVQWPMKJZSHFQY-UHFFFAOYSA-N 1 0 249.785 3.669 20 30 BHEDRO CCC[C@@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000441151066 387731784 /nfs/dbraw/zinc/73/17/84/387731784.db2.gz TXZFOOJTCJJJTI-CYBMUJFWSA-N 1 0 249.785 3.812 20 30 BHEDRO CCC[C@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000441151067 387732623 /nfs/dbraw/zinc/73/26/23/387732623.db2.gz TXZFOOJTCJJJTI-ZDUSSCGKSA-N 1 0 249.785 3.812 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000441154839 387732100 /nfs/dbraw/zinc/73/21/00/387732100.db2.gz IGKPJUYZIFBZOA-CYBMUJFWSA-N 1 0 249.785 3.668 20 30 BHEDRO CC(C)[C@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000441154840 387731931 /nfs/dbraw/zinc/73/19/31/387731931.db2.gz IGKPJUYZIFBZOA-ZDUSSCGKSA-N 1 0 249.785 3.668 20 30 BHEDRO C=C(C)C[N@H+](CC)CC#Cc1ccccc1Cl ZINC000441157591 387729830 /nfs/dbraw/zinc/72/98/30/387729830.db2.gz PXFOZGSKMKNBIB-UHFFFAOYSA-N 1 0 247.769 3.590 20 30 BHEDRO CC1(C)CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441158316 387732046 /nfs/dbraw/zinc/73/20/46/387732046.db2.gz PMYGGFAOPOXJNK-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO Clc1ccccc1C#CC[NH+]1CCCCCC1 ZINC000441158625 387729917 /nfs/dbraw/zinc/72/99/17/387729917.db2.gz QOTPRIREIMLVQK-UHFFFAOYSA-N 1 0 247.769 3.568 20 30 BHEDRO CC[N@H+](CC#Cc1ccccc1Cl)C1CCC1 ZINC000441159284 387732380 /nfs/dbraw/zinc/73/23/80/387732380.db2.gz YYQBXKIGCJNKFL-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC#Cc1ccccc1Cl ZINC000441160486 387729600 /nfs/dbraw/zinc/72/96/00/387729600.db2.gz YEXGTTVPIPFWRU-BETUJISGSA-N 1 0 247.769 3.564 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC#Cc1ccccc1Cl ZINC000441160487 387730095 /nfs/dbraw/zinc/73/00/95/387730095.db2.gz YEXGTTVPIPFWRU-CHWSQXEVSA-N 1 0 247.769 3.564 20 30 BHEDRO C[C@H]1CC[C@H](C)[NH+]1CC#Cc1ccccc1Cl ZINC000441160488 387730212 /nfs/dbraw/zinc/73/02/12/387730212.db2.gz YEXGTTVPIPFWRU-STQMWFEESA-N 1 0 247.769 3.564 20 30 BHEDRO C=CC[N@@H+](Cc1ccccc1F)CC1CCC1 ZINC000441213960 387737143 /nfs/dbraw/zinc/73/71/43/387737143.db2.gz WNFYNQNWKNZVRF-UHFFFAOYSA-N 1 0 233.330 3.614 20 30 BHEDRO CCC(C)(C)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000441243689 387411927 /nfs/dbraw/zinc/41/19/27/387411927.db2.gz INVANCNWGQWSRJ-UHFFFAOYSA-N 1 0 244.382 3.816 20 30 BHEDRO CCC(C)(C)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000441244652 387441346 /nfs/dbraw/zinc/44/13/46/387441346.db2.gz KPHGYKNJXULUCM-UHFFFAOYSA-N 1 0 244.382 3.816 20 30 BHEDRO C=CC[N@H+](CCc1ccccc1)CC1CCC1 ZINC000441263888 387741076 /nfs/dbraw/zinc/74/10/76/387741076.db2.gz KCQYMQKQHNTFMO-UHFFFAOYSA-N 1 0 229.367 3.517 20 30 BHEDRO C=C1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000441314922 387745043 /nfs/dbraw/zinc/74/50/43/387745043.db2.gz YUDCZEUGKBQCOE-AWEZNQCLSA-N 1 0 215.340 3.708 20 30 BHEDRO C=C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000441314924 201546320 /nfs/dbraw/zinc/54/63/20/201546320.db2.gz YUDCZEUGKBQCOE-CQSZACIVSA-N 1 0 215.340 3.708 20 30 BHEDRO C[C@H]1CCCC[C@H]1C[NH2+]CC1CCC(C#N)CC1 ZINC000441326491 201545400 /nfs/dbraw/zinc/54/54/00/201545400.db2.gz FUEMLCFUKNULCE-LBDPXKHJSA-N 1 0 248.414 3.732 20 30 BHEDRO C[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC(C#N)CC1 ZINC000441326494 387747060 /nfs/dbraw/zinc/74/70/60/387747060.db2.gz FUEMLCFUKNULCE-LMPOIIKSSA-N 1 0 248.414 3.732 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC(C#N)CC1 ZINC000441326496 387746076 /nfs/dbraw/zinc/74/60/76/387746076.db2.gz FUEMLCFUKNULCE-PRLABOORSA-N 1 0 248.414 3.732 20 30 BHEDRO C[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC(C#N)CC1 ZINC000441326500 387747129 /nfs/dbraw/zinc/74/71/29/387747129.db2.gz FUEMLCFUKNULCE-SLTXQBBLSA-N 1 0 248.414 3.732 20 30 BHEDRO CC#CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441333384 387747693 /nfs/dbraw/zinc/74/76/93/387747693.db2.gz SJDKAMKVNTUFBT-DLBZAZTESA-N 1 0 241.378 3.586 20 30 BHEDRO CC#CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441333388 387746424 /nfs/dbraw/zinc/74/64/24/387746424.db2.gz SJDKAMKVNTUFBT-IAGOWNOFSA-N 1 0 241.378 3.586 20 30 BHEDRO CC#CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441333392 387748137 /nfs/dbraw/zinc/74/81/37/387748137.db2.gz SJDKAMKVNTUFBT-IRXDYDNUSA-N 1 0 241.378 3.586 20 30 BHEDRO CC#CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441333399 387747874 /nfs/dbraw/zinc/74/78/74/387747874.db2.gz SJDKAMKVNTUFBT-SJORKVTESA-N 1 0 241.378 3.586 20 30 BHEDRO C[C@H]1CCC[C@H](C[NH2+]CC2CCC(C#N)CC2)C1 ZINC000441333770 387746496 /nfs/dbraw/zinc/74/64/96/387746496.db2.gz MNOWXVLCCOYSEF-LBDPXKHJSA-N 1 0 248.414 3.732 20 30 BHEDRO C[C@@H]1CCC[C@H](C[NH2+]CC2CCC(C#N)CC2)C1 ZINC000441333773 387747055 /nfs/dbraw/zinc/74/70/55/387747055.db2.gz MNOWXVLCCOYSEF-LMPOIIKSSA-N 1 0 248.414 3.732 20 30 BHEDRO C[C@@H]1CCC[C@@H](C[NH2+]CC2CCC(C#N)CC2)C1 ZINC000441333775 387746130 /nfs/dbraw/zinc/74/61/30/387746130.db2.gz MNOWXVLCCOYSEF-PRLABOORSA-N 1 0 248.414 3.732 20 30 BHEDRO C[C@H]1CCC[C@@H](C[NH2+]CC2CCC(C#N)CC2)C1 ZINC000441333777 387746006 /nfs/dbraw/zinc/74/60/06/387746006.db2.gz MNOWXVLCCOYSEF-SLTXQBBLSA-N 1 0 248.414 3.732 20 30 BHEDRO C[C@@H]1CC([NH2+]CC2CCC(C#N)CC2)C[C@@H](C)C1 ZINC000441334374 201546287 /nfs/dbraw/zinc/54/62/87/201546287.db2.gz WJFBIKWBKXJRHA-HESLUPGFSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@H]1CC([NH2+]CC2CCC(C#N)CC2)C[C@H](C)C1 ZINC000441334375 387747538 /nfs/dbraw/zinc/74/75/38/387747538.db2.gz WJFBIKWBKXJRHA-LMRVLLHPSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H](C)C1 ZINC000441334376 387748010 /nfs/dbraw/zinc/74/80/10/387748010.db2.gz WJFBIKWBKXJRHA-OXXQZIGGSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000441344064 387745838 /nfs/dbraw/zinc/74/58/38/387745838.db2.gz XHKLFADGWJKMSW-PPWQZUPISA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000441344065 201545557 /nfs/dbraw/zinc/54/55/57/201545557.db2.gz XHKLFADGWJKMSW-URGYJCLVSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000441344066 387747519 /nfs/dbraw/zinc/74/75/19/387747519.db2.gz XHKLFADGWJKMSW-VXGQWTEUSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000441344067 387747195 /nfs/dbraw/zinc/74/71/95/387747195.db2.gz XHKLFADGWJKMSW-XSCHDIRWSA-N 1 0 248.414 3.731 20 30 BHEDRO N#CC1CCC(C[NH2+]C2CCCCCC2)CC1 ZINC000441344439 387747359 /nfs/dbraw/zinc/74/73/59/387747359.db2.gz XWMGSZSHYVGSNM-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CC[N@@H+](CC)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441344920 387747591 /nfs/dbraw/zinc/74/75/91/387747591.db2.gz JHVFBWPDHPQRMH-INIZCTEOSA-N 1 0 231.383 3.824 20 30 BHEDRO C=CC[N@@H+](CC)[C@H](CC)Cc1ccc(C)cc1 ZINC000441344921 201546806 /nfs/dbraw/zinc/54/68/06/201546806.db2.gz JHVFBWPDHPQRMH-MRXNPFEDSA-N 1 0 231.383 3.824 20 30 BHEDRO C=CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441346224 387746831 /nfs/dbraw/zinc/74/68/31/387746831.db2.gz NDBUALLEAFXGKJ-CVEARBPZSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441346225 201547894 /nfs/dbraw/zinc/54/78/94/201547894.db2.gz NDBUALLEAFXGKJ-HOTGVXAUSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441346227 387747742 /nfs/dbraw/zinc/74/77/42/387747742.db2.gz NDBUALLEAFXGKJ-HZPDHXFCSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441346229 201548895 /nfs/dbraw/zinc/54/88/95/201548895.db2.gz NDBUALLEAFXGKJ-JKSUJKDBSA-N 1 0 229.367 3.749 20 30 BHEDRO CCC1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000441347791 387751436 /nfs/dbraw/zinc/75/14/36/387751436.db2.gz MEELLRNCXYVOPE-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000441351096 201549601 /nfs/dbraw/zinc/54/96/01/201549601.db2.gz CGQNLYVXLSBXCK-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441355975 387751141 /nfs/dbraw/zinc/75/11/41/387751141.db2.gz PBQKTKVOAJUCAX-INIZCTEOSA-N 1 0 231.383 3.824 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441355977 387747563 /nfs/dbraw/zinc/74/75/63/387747563.db2.gz PBQKTKVOAJUCAX-MRXNPFEDSA-N 1 0 231.383 3.824 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441364094 387751696 /nfs/dbraw/zinc/75/16/96/387751696.db2.gz YYDWCWKZAFBIIV-INIZCTEOSA-N 1 0 231.383 3.824 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441364096 387749974 /nfs/dbraw/zinc/74/99/74/387749974.db2.gz YYDWCWKZAFBIIV-MRXNPFEDSA-N 1 0 231.383 3.824 20 30 BHEDRO C=C(C)C[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441370566 387754063 /nfs/dbraw/zinc/75/40/63/387754063.db2.gz QVBIIOMIAUQQRN-UHFFFAOYSA-N 1 0 231.383 3.781 20 30 BHEDRO C=CCC[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441373276 387753420 /nfs/dbraw/zinc/75/34/20/387753420.db2.gz DOJYVATXLUOBCQ-UHFFFAOYSA-N 1 0 231.383 3.781 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441375249 386487257 /nfs/dbraw/zinc/48/72/57/386487257.db2.gz YFCADVMQJKTGMC-NRXISQOPSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441375250 191790238 /nfs/dbraw/zinc/79/02/38/191790238.db2.gz YFCADVMQJKTGMC-YMAMQOFZSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1C ZINC000441376449 387752918 /nfs/dbraw/zinc/75/29/18/387752918.db2.gz ADWGGBOCNQBQOQ-AKZYDZMLSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1C ZINC000441376450 387753356 /nfs/dbraw/zinc/75/33/56/387753356.db2.gz ADWGGBOCNQBQOQ-BKAAIYKLSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1C ZINC000441376451 387754934 /nfs/dbraw/zinc/75/49/34/387754934.db2.gz ADWGGBOCNQBQOQ-HRMROMONSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1C ZINC000441376452 201549311 /nfs/dbraw/zinc/54/93/11/201549311.db2.gz ADWGGBOCNQBQOQ-KBJXHQRYSA-N 1 0 248.414 3.731 20 30 BHEDRO C=CC[N@@H+](CCCSC)CC1CCCCC1 ZINC000441380960 387755115 /nfs/dbraw/zinc/75/51/15/387755115.db2.gz HYWHQETTYAAXCY-UHFFFAOYSA-N 1 0 241.444 3.808 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441381321 201549679 /nfs/dbraw/zinc/54/96/79/201549679.db2.gz RZAGAJVBHYYQSE-LBDPXKHJSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441381322 387753887 /nfs/dbraw/zinc/75/38/87/387753887.db2.gz RZAGAJVBHYYQSE-LMPOIIKSSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441381323 201549331 /nfs/dbraw/zinc/54/93/31/201549331.db2.gz RZAGAJVBHYYQSE-PRLABOORSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441381324 387752665 /nfs/dbraw/zinc/75/26/65/387752665.db2.gz RZAGAJVBHYYQSE-SLTXQBBLSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CC[N@H+](CC1CCC1)CC1CCCCC1 ZINC000441381509 387753062 /nfs/dbraw/zinc/75/30/62/387753062.db2.gz IUMWESXYYAOICD-UHFFFAOYSA-N 1 0 221.388 3.855 20 30 BHEDRO N#CC1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC000441383172 387753865 /nfs/dbraw/zinc/75/38/65/387753865.db2.gz VXHZCCHPQKHYPV-UHFFFAOYSA-N 1 0 248.414 3.876 20 30 BHEDRO C=CC[N@H+](CCC1CC1)CC1CCCCC1 ZINC000441392159 387756391 /nfs/dbraw/zinc/75/63/91/387756391.db2.gz IKLWQRCJRLDJOH-UHFFFAOYSA-N 1 0 221.388 3.855 20 30 BHEDRO C=CC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000441396352 387756719 /nfs/dbraw/zinc/75/67/19/387756719.db2.gz UIJVRFBOBIMAQE-AWEZNQCLSA-N 1 0 229.367 3.954 20 30 BHEDRO C=CC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000441396354 387758368 /nfs/dbraw/zinc/75/83/68/387758368.db2.gz UIJVRFBOBIMAQE-CQSZACIVSA-N 1 0 229.367 3.954 20 30 BHEDRO C=CC1CC[NH+](CCC(C)(C)CC)CC1 ZINC000441399423 387756490 /nfs/dbraw/zinc/75/64/90/387756490.db2.gz ZHDSWPSYTINSIK-UHFFFAOYSA-N 1 0 209.377 3.711 20 30 BHEDRO C=CCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000441472943 387763418 /nfs/dbraw/zinc/76/34/18/387763418.db2.gz YJTJTKJKPHSZGX-HZSPNIEDSA-N 1 0 207.361 3.606 20 30 BHEDRO C=CCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000441472946 387762634 /nfs/dbraw/zinc/76/26/34/387762634.db2.gz YJTJTKJKPHSZGX-MCIONIFRSA-N 1 0 207.361 3.606 20 30 BHEDRO C=CCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000441472949 387761671 /nfs/dbraw/zinc/76/16/71/387761671.db2.gz YJTJTKJKPHSZGX-MGPQQGTHSA-N 1 0 207.361 3.606 20 30 BHEDRO C=CCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000441472951 387762301 /nfs/dbraw/zinc/76/23/01/387762301.db2.gz YJTJTKJKPHSZGX-RDBSUJKOSA-N 1 0 207.361 3.606 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)(C)CC1 ZINC000442670135 388360250 /nfs/dbraw/zinc/36/02/50/388360250.db2.gz IUZHTSZYZHHXPA-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)(C)CC1 ZINC000442670140 388359973 /nfs/dbraw/zinc/35/99/73/388359973.db2.gz IUZHTSZYZHHXPA-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@@]1(C)CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442680927 388359923 /nfs/dbraw/zinc/35/99/23/388359923.db2.gz OHJBDTCHIWVSGG-BBRMVZONSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@@]1(C)CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442680930 388359645 /nfs/dbraw/zinc/35/96/45/388359645.db2.gz OHJBDTCHIWVSGG-CJNGLKHVSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@]1(C)CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442680933 388360131 /nfs/dbraw/zinc/36/01/31/388360131.db2.gz OHJBDTCHIWVSGG-CZUORRHYSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@]1(C)CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442680937 388359713 /nfs/dbraw/zinc/35/97/13/388359713.db2.gz OHJBDTCHIWVSGG-XJKSGUPXSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000442687415 388361275 /nfs/dbraw/zinc/36/12/75/388361275.db2.gz XYSFRXJZQQNPFA-KBPBESRZSA-N 1 0 244.382 3.987 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000442687417 388361199 /nfs/dbraw/zinc/36/11/99/388361199.db2.gz XYSFRXJZQQNPFA-KGLIPLIRSA-N 1 0 244.382 3.987 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000442687418 388361249 /nfs/dbraw/zinc/36/12/49/388361249.db2.gz XYSFRXJZQQNPFA-UONOGXRCSA-N 1 0 244.382 3.987 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000442687420 388361354 /nfs/dbraw/zinc/36/13/54/388361354.db2.gz XYSFRXJZQQNPFA-ZIAGYGMSSA-N 1 0 244.382 3.987 20 30 BHEDRO CC(C)[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442690044 388360640 /nfs/dbraw/zinc/36/06/40/388360640.db2.gz VBOBKWKCZLWDKX-BBRMVZONSA-N 1 0 242.366 3.597 20 30 BHEDRO CC(C)[C@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442690045 388361048 /nfs/dbraw/zinc/36/10/48/388361048.db2.gz VBOBKWKCZLWDKX-CJNGLKHVSA-N 1 0 242.366 3.597 20 30 BHEDRO CC(C)[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442690046 388360942 /nfs/dbraw/zinc/36/09/42/388360942.db2.gz VBOBKWKCZLWDKX-CZUORRHYSA-N 1 0 242.366 3.597 20 30 BHEDRO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442690047 388360650 /nfs/dbraw/zinc/36/06/50/388360650.db2.gz VBOBKWKCZLWDKX-XJKSGUPXSA-N 1 0 242.366 3.597 20 30 BHEDRO CCCC[C@H](CCC)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442762353 201599012 /nfs/dbraw/zinc/59/90/12/201599012.db2.gz DVJRQROIOUYSIT-KKUMJFAQSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H](CCC)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442762355 387835923 /nfs/dbraw/zinc/83/59/23/387835923.db2.gz DVJRQROIOUYSIT-RRFJBIMHSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H](CCC)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442762357 387835196 /nfs/dbraw/zinc/83/51/96/387835196.db2.gz DVJRQROIOUYSIT-SOUVJXGZSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H](CCC)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442762359 387834911 /nfs/dbraw/zinc/83/49/11/387834911.db2.gz DVJRQROIOUYSIT-ZNMIVQPWSA-N 1 0 236.403 3.875 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCCC2CCCC2)C1 ZINC000442769733 387837529 /nfs/dbraw/zinc/83/75/29/387837529.db2.gz QOORJHBTZGSCBC-CABCVRRESA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CC[C@H]([NH2+]CCCCC2CCCC2)C1 ZINC000442769735 387834197 /nfs/dbraw/zinc/83/41/97/387834197.db2.gz QOORJHBTZGSCBC-GJZGRUSLSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCCC2CCCC2)C1 ZINC000442769737 201597986 /nfs/dbraw/zinc/59/79/86/201597986.db2.gz QOORJHBTZGSCBC-HUUCEWRRSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCCC2CCCC2)C1 ZINC000442769739 201597727 /nfs/dbraw/zinc/59/77/27/201597727.db2.gz QOORJHBTZGSCBC-LSDHHAIUSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)CC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000442783152 387839262 /nfs/dbraw/zinc/83/92/62/387839262.db2.gz PKJRUHYKTHZAMX-CABCVRRESA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCC1 ZINC000442783154 387839275 /nfs/dbraw/zinc/83/92/75/387839275.db2.gz PKJRUHYKTHZAMX-GJZGRUSLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000442783155 192989358 /nfs/dbraw/zinc/98/93/58/192989358.db2.gz PKJRUHYKTHZAMX-HUUCEWRRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC000442783157 387839610 /nfs/dbraw/zinc/83/96/10/387839610.db2.gz PKJRUHYKTHZAMX-LSDHHAIUSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000442790990 387842028 /nfs/dbraw/zinc/84/20/28/387842028.db2.gz HYAZETNVVFETOH-ILXRZTDVSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000442790991 387841559 /nfs/dbraw/zinc/84/15/59/387841559.db2.gz HYAZETNVVFETOH-KKUMJFAQSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442810609 192994355 /nfs/dbraw/zinc/99/43/55/192994355.db2.gz NLMUMDAFVAZZLP-CYBMUJFWSA-N 1 0 242.366 3.655 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442810610 387846718 /nfs/dbraw/zinc/84/67/18/387846718.db2.gz NLMUMDAFVAZZLP-ZDUSSCGKSA-N 1 0 242.366 3.655 20 30 BHEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442824581 192994114 /nfs/dbraw/zinc/99/41/14/192994114.db2.gz HEZQGWVZLQEDBH-DZGCQCFKSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442824583 387848650 /nfs/dbraw/zinc/84/86/50/387848650.db2.gz HEZQGWVZLQEDBH-HIFRSBDPSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442824585 387847090 /nfs/dbraw/zinc/84/70/90/387847090.db2.gz HEZQGWVZLQEDBH-UKRRQHHQSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442824586 387845731 /nfs/dbraw/zinc/84/57/31/387845731.db2.gz HEZQGWVZLQEDBH-ZFWWWQNUSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000442841836 387849290 /nfs/dbraw/zinc/84/92/90/387849290.db2.gz GYBFUCNDXWEJAF-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000442841838 387849600 /nfs/dbraw/zinc/84/96/00/387849600.db2.gz GYBFUCNDXWEJAF-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000442841840 387849828 /nfs/dbraw/zinc/84/98/28/387849828.db2.gz GYBFUCNDXWEJAF-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000442841842 192995436 /nfs/dbraw/zinc/99/54/36/192995436.db2.gz GYBFUCNDXWEJAF-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000442842049 387849658 /nfs/dbraw/zinc/84/96/58/387849658.db2.gz PLLBAHNYRYQXQW-CABCVRRESA-N 1 0 232.371 3.549 20 30 BHEDRO N#C[C@H]1CC[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000442842051 387850167 /nfs/dbraw/zinc/85/01/67/387850167.db2.gz PLLBAHNYRYQXQW-GJZGRUSLSA-N 1 0 232.371 3.549 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000442842052 387850027 /nfs/dbraw/zinc/85/00/27/387850027.db2.gz PLLBAHNYRYQXQW-HUUCEWRRSA-N 1 0 232.371 3.549 20 30 BHEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000442842055 387849745 /nfs/dbraw/zinc/84/97/45/387849745.db2.gz PLLBAHNYRYQXQW-LSDHHAIUSA-N 1 0 232.371 3.549 20 30 BHEDRO CC(C)c1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442846121 387850022 /nfs/dbraw/zinc/85/00/22/387850022.db2.gz NYWYUOIWEBXBPI-BBRMVZONSA-N 1 0 242.366 3.592 20 30 BHEDRO CC(C)c1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000442846123 387849949 /nfs/dbraw/zinc/84/99/49/387849949.db2.gz NYWYUOIWEBXBPI-CJNGLKHVSA-N 1 0 242.366 3.592 20 30 BHEDRO CC(C)c1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442846124 387849411 /nfs/dbraw/zinc/84/94/11/387849411.db2.gz NYWYUOIWEBXBPI-CZUORRHYSA-N 1 0 242.366 3.592 20 30 BHEDRO CC(C)c1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442846126 387849594 /nfs/dbraw/zinc/84/95/94/387849594.db2.gz NYWYUOIWEBXBPI-XJKSGUPXSA-N 1 0 242.366 3.592 20 30 BHEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)C1=CCCCC1 ZINC000442847943 387850280 /nfs/dbraw/zinc/85/02/80/387850280.db2.gz RBDHUPOTOWHLFE-DZGCQCFKSA-N 1 0 246.398 3.795 20 30 BHEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)C1=CCCCC1 ZINC000442847945 387849944 /nfs/dbraw/zinc/84/99/44/387849944.db2.gz RBDHUPOTOWHLFE-HIFRSBDPSA-N 1 0 246.398 3.795 20 30 BHEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1=CCCCC1 ZINC000442847946 192995858 /nfs/dbraw/zinc/99/58/58/192995858.db2.gz RBDHUPOTOWHLFE-UKRRQHHQSA-N 1 0 246.398 3.795 20 30 BHEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)C1=CCCCC1 ZINC000442847948 387849666 /nfs/dbraw/zinc/84/96/66/387849666.db2.gz RBDHUPOTOWHLFE-ZFWWWQNUSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000442849291 192997115 /nfs/dbraw/zinc/99/71/15/192997115.db2.gz BWRPENXKPQYJCR-XUJLQICISA-N 1 0 246.398 3.651 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000442849292 387849906 /nfs/dbraw/zinc/84/99/06/387849906.db2.gz BWRPENXKPQYJCR-ZBCRRDGASA-N 1 0 246.398 3.651 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1CCC(C#N)CC1 ZINC000442851844 387851620 /nfs/dbraw/zinc/85/16/20/387851620.db2.gz GXOPHKRXQYSEHV-NRXISQOPSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1CCC(C#N)CC1 ZINC000442851846 387850868 /nfs/dbraw/zinc/85/08/68/387850868.db2.gz GXOPHKRXQYSEHV-YMAMQOFZSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442854649 387850991 /nfs/dbraw/zinc/85/09/91/387850991.db2.gz LCKONTSKJIFUAU-DNDYEEKYSA-N 1 0 234.387 3.507 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442854652 387850982 /nfs/dbraw/zinc/85/09/82/387850982.db2.gz LCKONTSKJIFUAU-HESLUPGFSA-N 1 0 234.387 3.507 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442854654 387851820 /nfs/dbraw/zinc/85/18/20/387851820.db2.gz LCKONTSKJIFUAU-LMRVLLHPSA-N 1 0 234.387 3.507 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442854655 192996917 /nfs/dbraw/zinc/99/69/17/192996917.db2.gz LCKONTSKJIFUAU-ZUJMUWTESA-N 1 0 234.387 3.507 20 30 BHEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC1CCC(C#N)CC1 ZINC000442857422 387851104 /nfs/dbraw/zinc/85/11/04/387851104.db2.gz FQUUVDGFQCPJKA-HESLUPGFSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1CCC(C#N)CC1 ZINC000442857424 387851296 /nfs/dbraw/zinc/85/12/96/387851296.db2.gz FQUUVDGFQCPJKA-LMRVLLHPSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442857426 387851568 /nfs/dbraw/zinc/85/15/68/387851568.db2.gz FQUUVDGFQCPJKA-OXXQZIGGSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442858313 386776353 /nfs/dbraw/zinc/77/63/53/386776353.db2.gz RTSMUUSBVNFFPW-CKUJCDMFSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442858315 386776634 /nfs/dbraw/zinc/77/66/34/386776634.db2.gz RTSMUUSBVNFFPW-FJBKBRRZSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442858318 386776449 /nfs/dbraw/zinc/77/64/49/386776449.db2.gz RTSMUUSBVNFFPW-QDIHITRGSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442858322 386775075 /nfs/dbraw/zinc/77/50/75/386775075.db2.gz RTSMUUSBVNFFPW-SSHXOBKSSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442859561 387851550 /nfs/dbraw/zinc/85/15/50/387851550.db2.gz JWMKQIUAMYWYNG-NFOMZHRRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442859563 387852134 /nfs/dbraw/zinc/85/21/34/387852134.db2.gz JWMKQIUAMYWYNG-WLYUNCDWSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442861047 398294514 /nfs/dbraw/zinc/29/45/14/398294514.db2.gz MCYNYCNKUQIKDM-AEGPPILISA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442861049 398294566 /nfs/dbraw/zinc/29/45/66/398294566.db2.gz MCYNYCNKUQIKDM-CFVMTHIKSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442861053 191931972 /nfs/dbraw/zinc/93/19/72/191931972.db2.gz MCYNYCNKUQIKDM-NWANDNLSSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442861055 398294574 /nfs/dbraw/zinc/29/45/74/398294574.db2.gz MCYNYCNKUQIKDM-QEJZJMRPSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)C1CCCCC1 ZINC000442861808 387853447 /nfs/dbraw/zinc/85/34/47/387853447.db2.gz YQQFKJYAVZJYSA-NFOMZHRRSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CCCCC1 ZINC000442861809 192998206 /nfs/dbraw/zinc/99/82/06/192998206.db2.gz YQQFKJYAVZJYSA-WLYUNCDWSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CC[NH2+][C@@H]1CC[C@H](C#N)C1)CC(C)(C)C ZINC000442864391 191936824 /nfs/dbraw/zinc/93/68/24/191936824.db2.gz CWNZPECIOBPXEV-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CC[NH2+][C@H]1CC[C@@H](C#N)C1)CC(C)(C)C ZINC000442864533 191937175 /nfs/dbraw/zinc/93/71/75/191937175.db2.gz CWNZPECIOBPXEV-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)CC(C)(C)C ZINC000442864534 191937279 /nfs/dbraw/zinc/93/72/79/191937279.db2.gz CWNZPECIOBPXEV-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CC[NH2+][C@H]1CC[C@H](C#N)C1)CC(C)(C)C ZINC000442864535 191937647 /nfs/dbraw/zinc/93/76/47/191937647.db2.gz CWNZPECIOBPXEV-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO CCCC(CCC)[NH2+]CC1CCC(C#N)CC1 ZINC000442869048 387853294 /nfs/dbraw/zinc/85/32/94/387853294.db2.gz AHOLHBJAOQTFTG-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@H]1C ZINC000442872001 206083927 /nfs/dbraw/zinc/08/39/27/206083927.db2.gz YDIDYMWOMFTLRE-AKZYDZMLSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]1C ZINC000442872003 206083953 /nfs/dbraw/zinc/08/39/53/206083953.db2.gz YDIDYMWOMFTLRE-BKAAIYKLSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@H]1C ZINC000442872006 206083410 /nfs/dbraw/zinc/08/34/10/206083410.db2.gz YDIDYMWOMFTLRE-HRMROMONSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]1C ZINC000442872008 206083235 /nfs/dbraw/zinc/08/32/35/206083235.db2.gz YDIDYMWOMFTLRE-KBJXHQRYSA-N 1 0 248.414 3.731 20 30 BHEDRO CCCC[C@H](CC)[NH2+]CC1CCC(C#N)CC1 ZINC000442874266 386832468 /nfs/dbraw/zinc/83/24/68/386832468.db2.gz MJRXXWUMEVKRMV-NRXISQOPSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]CC1CCC(C#N)CC1 ZINC000442874268 386832318 /nfs/dbraw/zinc/83/23/18/386832318.db2.gz MJRXXWUMEVKRMV-YMAMQOFZSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442874441 206084024 /nfs/dbraw/zinc/08/40/24/206084024.db2.gz MCYNYCNKUQIKDM-BPLDGKMQSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442874443 206083444 /nfs/dbraw/zinc/08/34/44/206083444.db2.gz MCYNYCNKUQIKDM-SNPRPXQTSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442874444 206083368 /nfs/dbraw/zinc/08/33/68/206083368.db2.gz MCYNYCNKUQIKDM-VHDGCEQUSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442874446 206083300 /nfs/dbraw/zinc/08/33/00/206083300.db2.gz MCYNYCNKUQIKDM-YUELXQCFSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CC1CCCC1)[NH2+]CC1CCC(C#N)CC1 ZINC000442875018 206083800 /nfs/dbraw/zinc/08/38/00/206083800.db2.gz VCKCSRUUNZMPQU-IUDNXUCKSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H](CC1CCCC1)[NH2+]CC1CCC(C#N)CC1 ZINC000442875019 206083223 /nfs/dbraw/zinc/08/32/23/206083223.db2.gz VCKCSRUUNZMPQU-JEYLPNPQSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000442875055 206083389 /nfs/dbraw/zinc/08/33/89/206083389.db2.gz VJLBGNQSSHQHHG-AKZYDZMLSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@H](C)C1 ZINC000442875056 192999205 /nfs/dbraw/zinc/99/92/05/192999205.db2.gz VJLBGNQSSHQHHG-BKAAIYKLSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000442875057 387855006 /nfs/dbraw/zinc/85/50/06/387855006.db2.gz VJLBGNQSSHQHHG-HRMROMONSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@H](C)C1 ZINC000442875058 387854481 /nfs/dbraw/zinc/85/44/81/387854481.db2.gz VJLBGNQSSHQHHG-KBJXHQRYSA-N 1 0 248.414 3.731 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442879141 387855379 /nfs/dbraw/zinc/85/53/79/387855379.db2.gz VZBJBNZXVVZXST-CKUJCDMFSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442879142 387854699 /nfs/dbraw/zinc/85/46/99/387854699.db2.gz VZBJBNZXVVZXST-FJBKBRRZSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442879143 387855095 /nfs/dbraw/zinc/85/50/95/387855095.db2.gz VZBJBNZXVVZXST-QDIHITRGSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442879144 387854501 /nfs/dbraw/zinc/85/45/01/387854501.db2.gz VZBJBNZXVVZXST-SSHXOBKSSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000442886887 193000202 /nfs/dbraw/zinc/00/02/02/193000202.db2.gz VFHVYFPSVLTXGW-AWEZNQCLSA-N 1 0 244.382 3.987 20 30 BHEDRO CC(C)CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000442886888 193000463 /nfs/dbraw/zinc/00/04/63/193000463.db2.gz VFHVYFPSVLTXGW-CQSZACIVSA-N 1 0 244.382 3.987 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000442891680 193001373 /nfs/dbraw/zinc/00/13/73/193001373.db2.gz RWCHSTWZYYYYCX-UHFFFAOYSA-N 1 0 242.366 3.956 20 30 BHEDRO C=C(CC)C[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000442894466 193000338 /nfs/dbraw/zinc/00/03/38/193000338.db2.gz ZNMHXZKXJGGBPG-UHFFFAOYSA-N 1 0 242.366 3.956 20 30 BHEDRO CC[N@H+](CCC1CC1)[C@H](C)c1cccc(C#N)c1 ZINC000442902655 193002416 /nfs/dbraw/zinc/00/24/16/193002416.db2.gz QVNNWXSWSFUOGG-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[N@H+](CCC1CC1)[C@@H](C)c1cccc(C#N)c1 ZINC000442902656 193002914 /nfs/dbraw/zinc/00/29/14/193002914.db2.gz QVNNWXSWSFUOGG-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000442987795 193008033 /nfs/dbraw/zinc/00/80/33/193008033.db2.gz DCUZSADFYFPDNO-JTQLQIEISA-N 1 0 243.272 3.678 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000442987798 193007696 /nfs/dbraw/zinc/00/76/96/193007696.db2.gz DCUZSADFYFPDNO-SNVBAGLBSA-N 1 0 243.272 3.678 20 30 BHEDRO N#CC1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC000443068658 193012139 /nfs/dbraw/zinc/01/21/39/193012139.db2.gz WNTFWOPVUJILSX-UHFFFAOYSA-N 1 0 248.414 3.876 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443229828 193016142 /nfs/dbraw/zinc/01/61/42/193016142.db2.gz ZUZBBBSPBMIAKR-FZMZJTMJSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443229830 193015639 /nfs/dbraw/zinc/01/56/39/193015639.db2.gz ZUZBBBSPBMIAKR-RISCZKNCSA-N 1 0 249.329 3.594 20 30 BHEDRO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](CCC#N)CC1CC1 ZINC000443421976 193020605 /nfs/dbraw/zinc/02/06/05/193020605.db2.gz ZAWWNWZTOKVZHO-GDBMZVCRSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[N@H+](CCC#N)CC1CC1 ZINC000443421977 193020572 /nfs/dbraw/zinc/02/05/72/193020572.db2.gz ZAWWNWZTOKVZHO-GOEBONIOSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[N@H+](CCC#N)CC1CC1 ZINC000443421978 193020873 /nfs/dbraw/zinc/02/08/73/193020873.db2.gz ZAWWNWZTOKVZHO-HOCLYGCPSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@@H](C)[C@H]1C[N@H+](CCC#N)CC1CC1 ZINC000443421980 193020392 /nfs/dbraw/zinc/02/03/92/193020392.db2.gz ZAWWNWZTOKVZHO-ZBFHGGJFSA-N 1 0 246.398 3.604 20 30 BHEDRO C=CCCC[N@@H+](C)CCCSCC(C)C 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CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000443642975 193027249 /nfs/dbraw/zinc/02/72/49/193027249.db2.gz UJGXKRRNUHIRRI-IVMMDQJWSA-N 1 0 246.398 3.603 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000443642976 193028204 /nfs/dbraw/zinc/02/82/04/193028204.db2.gz UJGXKRRNUHIRRI-NOLJZWGESA-N 1 0 246.398 3.603 20 30 BHEDRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000443857549 193030340 /nfs/dbraw/zinc/03/03/40/193030340.db2.gz TWDZRCFDKNVHAP-CABCVRRESA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000443857552 193030592 /nfs/dbraw/zinc/03/05/92/193030592.db2.gz TWDZRCFDKNVHAP-GJZGRUSLSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000443857555 193030497 /nfs/dbraw/zinc/03/04/97/193030497.db2.gz TWDZRCFDKNVHAP-HUUCEWRRSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000443857558 193030609 /nfs/dbraw/zinc/03/06/09/193030609.db2.gz TWDZRCFDKNVHAP-LSDHHAIUSA-N 1 0 246.398 3.604 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC000443861351 193030671 /nfs/dbraw/zinc/03/06/71/193030671.db2.gz KJVCBSLTMHPQQR-UHFFFAOYSA-N 1 0 243.272 3.632 20 30 BHEDRO Cc1cc(C[NH2+]C2(C)CCCCC2)ccc1C#N ZINC000443960449 193032502 /nfs/dbraw/zinc/03/25/02/193032502.db2.gz OCEWOQLHWQBFIS-UHFFFAOYSA-N 1 0 242.366 3.679 20 30 BHEDRO Cc1cc(C[NH2+]CC2(C)CCCC2)ccc1C#N ZINC000443962187 224522160 /nfs/dbraw/zinc/52/21/60/224522160.db2.gz MOEMFBMNOLWPRT-UHFFFAOYSA-N 1 0 242.366 3.537 20 30 BHEDRO Cc1cc(C[NH2+]CC2CCCCC2)ccc1C#N ZINC000443969274 193032612 /nfs/dbraw/zinc/03/26/12/193032612.db2.gz GPMUMAIRRNAITL-UHFFFAOYSA-N 1 0 242.366 3.537 20 30 BHEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)ccc1C#N ZINC000443972603 388420207 /nfs/dbraw/zinc/42/02/07/388420207.db2.gz YDMKJQWEALVQIJ-BLLLJJGKSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)ccc1C#N ZINC000443972605 398084656 /nfs/dbraw/zinc/08/46/56/398084656.db2.gz YDMKJQWEALVQIJ-LRDDRELGSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)ccc1C#N ZINC000443972607 388419889 /nfs/dbraw/zinc/41/98/89/388419889.db2.gz YDMKJQWEALVQIJ-MLGOLLRUSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)ccc1C#N ZINC000443972609 398084725 /nfs/dbraw/zinc/08/47/25/398084725.db2.gz YDMKJQWEALVQIJ-WBMJQRKESA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+]CCC2CCCC2)ccc1C#N ZINC000443979487 200706410 /nfs/dbraw/zinc/70/64/10/200706410.db2.gz OSASFJNRWPOTEV-UHFFFAOYSA-N 1 0 242.366 3.537 20 30 BHEDRO Cc1cc(C[NH2+]C2CCCCCC2)ccc1C#N ZINC000443984273 388421081 /nfs/dbraw/zinc/42/10/81/388421081.db2.gz IMGDCXPSTYDRAT-UHFFFAOYSA-N 1 0 242.366 3.679 20 30 BHEDRO Cc1cc(C[NH2+][C@H](C)CCC2CC2)ccc1C#N ZINC000443987631 388421246 /nfs/dbraw/zinc/42/12/46/388421246.db2.gz KIWSUWFKWUCHLP-CYBMUJFWSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@@H](C)CCC2CC2)ccc1C#N ZINC000443987632 388421597 /nfs/dbraw/zinc/42/15/97/388421597.db2.gz KIWSUWFKWUCHLP-ZDUSSCGKSA-N 1 0 242.366 3.535 20 30 BHEDRO CCC[C@H](CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443989114 388422568 /nfs/dbraw/zinc/42/25/68/388422568.db2.gz KIYKBXHCWVDANJ-HNNXBMFYSA-N 1 0 230.355 3.535 20 30 BHEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443989115 388422836 /nfs/dbraw/zinc/42/28/36/388422836.db2.gz KIYKBXHCWVDANJ-OAHLLOKOSA-N 1 0 230.355 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C)CC2)ccc1C#N ZINC000443989452 388422007 /nfs/dbraw/zinc/42/20/07/388422007.db2.gz RDSBRIZGWHGQDK-YGUOUDRMSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@@H](C)CCC(C)C)ccc1C#N ZINC000443991406 388422201 /nfs/dbraw/zinc/42/22/01/388422201.db2.gz WALOUROJVWRIOC-AWEZNQCLSA-N 1 0 244.382 3.781 20 30 BHEDRO Cc1cc(C[NH2+][C@H](C)CCC(C)C)ccc1C#N ZINC000443991407 388422281 /nfs/dbraw/zinc/42/22/81/388422281.db2.gz WALOUROJVWRIOC-CQSZACIVSA-N 1 0 244.382 3.781 20 30 BHEDRO CCC1(C[NH2+]Cc2ccc(C#N)c(C)c2)CCC1 ZINC000443993246 388421931 /nfs/dbraw/zinc/42/19/31/388421931.db2.gz ADPJUGBQYUYPTI-UHFFFAOYSA-N 1 0 242.366 3.537 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443993584 387882524 /nfs/dbraw/zinc/88/25/24/387882524.db2.gz LWJKEKFFNNIWQA-AWEZNQCLSA-N 1 0 242.366 3.701 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443993585 387881376 /nfs/dbraw/zinc/88/13/76/387881376.db2.gz LWJKEKFFNNIWQA-CQSZACIVSA-N 1 0 242.366 3.701 20 30 BHEDRO CCCC1(C[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443995260 201606557 /nfs/dbraw/zinc/60/65/57/201606557.db2.gz GVCGOWOHQICOLD-UHFFFAOYSA-N 1 0 242.366 3.537 20 30 BHEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443999227 191110936 /nfs/dbraw/zinc/11/09/36/191110936.db2.gz CALRZNXMSQZTCQ-GDBMZVCRSA-N 1 0 242.366 3.535 20 30 BHEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443999228 191111363 /nfs/dbraw/zinc/11/13/63/191111363.db2.gz CALRZNXMSQZTCQ-GOEBONIOSA-N 1 0 242.366 3.535 20 30 BHEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443999230 191111401 /nfs/dbraw/zinc/11/14/01/191111401.db2.gz CALRZNXMSQZTCQ-HOCLYGCPSA-N 1 0 242.366 3.535 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443999231 191111238 /nfs/dbraw/zinc/11/12/38/191111238.db2.gz CALRZNXMSQZTCQ-ZBFHGGJFSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@H]2CCC(C)(C)C2)ccc1C#N ZINC000443999665 193033474 /nfs/dbraw/zinc/03/34/74/193033474.db2.gz BNWGEUUVXIFZND-HNNXBMFYSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)ccc1C#N ZINC000443999667 193033060 /nfs/dbraw/zinc/03/30/60/193033060.db2.gz BNWGEUUVXIFZND-OAHLLOKOSA-N 1 0 242.366 3.535 20 30 BHEDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444001920 191111251 /nfs/dbraw/zinc/11/12/51/191111251.db2.gz MALPRZBRSGKEJS-GXTWGEPZSA-N 1 0 244.382 3.781 20 30 BHEDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444001922 191110727 /nfs/dbraw/zinc/11/07/27/191110727.db2.gz MALPRZBRSGKEJS-JSGCOSHPSA-N 1 0 244.382 3.781 20 30 BHEDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444001923 191111439 /nfs/dbraw/zinc/11/14/39/191111439.db2.gz MALPRZBRSGKEJS-OCCSQVGLSA-N 1 0 244.382 3.781 20 30 BHEDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444001924 191111193 /nfs/dbraw/zinc/11/11/93/191111193.db2.gz MALPRZBRSGKEJS-TZMCWYRMSA-N 1 0 244.382 3.781 20 30 BHEDRO Cc1cc(C[NH2+]CC(C)(C)C(C)C)ccc1C#N ZINC000444003387 193033627 /nfs/dbraw/zinc/03/36/27/193033627.db2.gz INKZLUANHGFCDY-UHFFFAOYSA-N 1 0 244.382 3.639 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000444254922 193042332 /nfs/dbraw/zinc/04/23/32/193042332.db2.gz ZHNUKDBUDSYZDX-AWEZNQCLSA-N 1 0 217.356 3.954 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC000444254924 193042166 /nfs/dbraw/zinc/04/21/66/193042166.db2.gz ZHNUKDBUDSYZDX-CQSZACIVSA-N 1 0 217.356 3.954 20 30 BHEDRO C[C@H](C1CC1)[N@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000444585517 193050152 /nfs/dbraw/zinc/05/01/52/193050152.db2.gz ZSLYUMZTCNTEOU-CYBMUJFWSA-N 1 0 248.414 3.969 20 30 BHEDRO C[C@@H](C1CC1)[N@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000444585530 193050722 /nfs/dbraw/zinc/05/07/22/193050722.db2.gz ZSLYUMZTCNTEOU-ZDUSSCGKSA-N 1 0 248.414 3.969 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)C(C1CC1)C1CC1 ZINC000444605942 387889990 /nfs/dbraw/zinc/88/99/90/387889990.db2.gz FAUBAXCXKPSLCY-UHFFFAOYSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)[NH+](CCCCC(C)(C)C#N)C(C)C ZINC000444677926 387905802 /nfs/dbraw/zinc/90/58/02/387905802.db2.gz XDIROEFVQYCSBK-UHFFFAOYSA-N 1 0 224.392 3.825 20 30 BHEDRO C=CCCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444681629 387908828 /nfs/dbraw/zinc/90/88/28/387908828.db2.gz VRICBVIAKJFRKT-UHFFFAOYSA-N 1 0 229.367 3.616 20 30 BHEDRO C[C@H]1CCCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000444681891 385178149 /nfs/dbraw/zinc/17/81/49/385178149.db2.gz XOCVDMWCVPVIFR-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO C[C@@H]1CCCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000444681894 385175725 /nfs/dbraw/zinc/17/57/25/385175725.db2.gz XOCVDMWCVPVIFR-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000444682083 387908986 /nfs/dbraw/zinc/90/89/86/387908986.db2.gz YPZJZQZAPOXNNK-HNNXBMFYSA-N 1 0 248.414 3.995 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1CC=CCC1 ZINC000444682084 387907571 /nfs/dbraw/zinc/90/75/71/387907571.db2.gz YPZJZQZAPOXNNK-OAHLLOKOSA-N 1 0 248.414 3.995 20 30 BHEDRO C=C(CC)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444687086 387907949 /nfs/dbraw/zinc/90/79/49/387907949.db2.gz ZPPKITKSWOKLRE-UHFFFAOYSA-N 1 0 229.367 3.616 20 30 BHEDRO C[C@H]1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444707887 387913058 /nfs/dbraw/zinc/91/30/58/387913058.db2.gz QMHDJULYJQNVPY-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444707889 387914138 /nfs/dbraw/zinc/91/41/38/387914138.db2.gz QMHDJULYJQNVPY-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H]1CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444707891 387913126 /nfs/dbraw/zinc/91/31/26/387913126.db2.gz QMHDJULYJQNVPY-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]1CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444707894 387913376 /nfs/dbraw/zinc/91/33/76/387913376.db2.gz QMHDJULYJQNVPY-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)[N@H+](CC#Cc1ccccc1)CC1CCC1 ZINC000444763287 387924200 /nfs/dbraw/zinc/92/42/00/387924200.db2.gz CTGUGRNQGGZGIE-UHFFFAOYSA-N 1 0 241.378 3.549 20 30 BHEDRO CC(C)[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000444772585 387927512 /nfs/dbraw/zinc/92/75/12/387927512.db2.gz WDHRMNMQKCSTLR-AWEZNQCLSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000444772586 387926473 /nfs/dbraw/zinc/92/64/73/387926473.db2.gz WDHRMNMQKCSTLR-CQSZACIVSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2cnoc2C)CCCC1(C)C ZINC000444773653 387926884 /nfs/dbraw/zinc/92/68/84/387926884.db2.gz FGSICKNRKMQSIK-AWEZNQCLSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2cnoc2C)CCCC1(C)C ZINC000444773654 387926439 /nfs/dbraw/zinc/92/64/39/387926439.db2.gz FGSICKNRKMQSIK-CQSZACIVSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@@H]1[N@@H+](Cc2ccccn2)CCCC1(C)C ZINC000444776195 387928239 /nfs/dbraw/zinc/92/82/39/387928239.db2.gz BLVSXVHPEZDKBX-HNNXBMFYSA-N 1 0 244.382 3.648 20 30 BHEDRO C=CC[C@H]1[N@@H+](Cc2ccccn2)CCCC1(C)C ZINC000444776196 387926773 /nfs/dbraw/zinc/92/67/73/387926773.db2.gz BLVSXVHPEZDKBX-OAHLLOKOSA-N 1 0 244.382 3.648 20 30 BHEDRO C=CC[C@@H]1[N@@H+](Cc2ccncc2)CCCC1(C)C ZINC000444778834 387930695 /nfs/dbraw/zinc/93/06/95/387930695.db2.gz AHNOSKSCTRVRAP-HNNXBMFYSA-N 1 0 244.382 3.648 20 30 BHEDRO C=CC[C@H]1[N@@H+](Cc2ccncc2)CCCC1(C)C ZINC000444778835 387930033 /nfs/dbraw/zinc/93/00/33/387930033.db2.gz AHNOSKSCTRVRAP-OAHLLOKOSA-N 1 0 244.382 3.648 20 30 BHEDRO C=CC[C@@H]1[N@@H+](CCCCC#N)CCCC1(C)C ZINC000444779959 387929651 /nfs/dbraw/zinc/92/96/51/387929651.db2.gz MCXRCXGITFYXSS-AWEZNQCLSA-N 1 0 234.387 3.747 20 30 BHEDRO C=CC[C@H]1[N@@H+](CCCCC#N)CCCC1(C)C ZINC000444779965 387930655 /nfs/dbraw/zinc/93/06/55/387930655.db2.gz MCXRCXGITFYXSS-CQSZACIVSA-N 1 0 234.387 3.747 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2cc(C)on2)CCCC1(C)C ZINC000444784683 387930165 /nfs/dbraw/zinc/93/01/65/387930165.db2.gz OMPWGHJUZBZQEL-AWEZNQCLSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2cc(C)on2)CCCC1(C)C ZINC000444784685 387929379 /nfs/dbraw/zinc/92/93/79/387929379.db2.gz OMPWGHJUZBZQEL-CQSZACIVSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@@H]1[N@@H+](Cc2cccnc2)CCCC1(C)C ZINC000444788565 387932562 /nfs/dbraw/zinc/93/25/62/387932562.db2.gz WOZNESLPDDUAED-HNNXBMFYSA-N 1 0 244.382 3.648 20 30 BHEDRO C=CC[C@H]1[N@@H+](Cc2cccnc2)CCCC1(C)C ZINC000444788566 201637630 /nfs/dbraw/zinc/63/76/30/201637630.db2.gz WOZNESLPDDUAED-OAHLLOKOSA-N 1 0 244.382 3.648 20 30 BHEDRO C=CC[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000444789213 201637941 /nfs/dbraw/zinc/63/79/41/201637941.db2.gz ZYZRMDSSVZASJH-GFCCVEGCSA-N 1 0 243.272 3.764 20 30 BHEDRO C=CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000444789214 387932283 /nfs/dbraw/zinc/93/22/83/387932283.db2.gz ZYZRMDSSVZASJH-LBPRGKRZSA-N 1 0 243.272 3.764 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000445299135 527194451 /nfs/dbraw/zinc/19/44/51/527194451.db2.gz RBBVOANNAXKNCJ-CYBMUJFWSA-N 1 0 235.346 3.655 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000445299137 527193956 /nfs/dbraw/zinc/19/39/56/527193956.db2.gz RBBVOANNAXKNCJ-ZDUSSCGKSA-N 1 0 235.346 3.655 20 30 BHEDRO CC(C)[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000445417650 398291905 /nfs/dbraw/zinc/29/19/05/398291905.db2.gz JXMMRFJBEMPSGS-BBRMVZONSA-N 1 0 242.366 3.597 20 30 BHEDRO CC(C)[C@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000445417651 398292133 /nfs/dbraw/zinc/29/21/33/398292133.db2.gz JXMMRFJBEMPSGS-CJNGLKHVSA-N 1 0 242.366 3.597 20 30 BHEDRO CC(C)[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000445417652 398292015 /nfs/dbraw/zinc/29/20/15/398292015.db2.gz JXMMRFJBEMPSGS-CZUORRHYSA-N 1 0 242.366 3.597 20 30 BHEDRO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000445417653 398292147 /nfs/dbraw/zinc/29/21/47/398292147.db2.gz JXMMRFJBEMPSGS-XJKSGUPXSA-N 1 0 242.366 3.597 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000445460761 387540450 /nfs/dbraw/zinc/54/04/50/387540450.db2.gz CWDLPTUJLNQVEJ-CYBMUJFWSA-N 1 0 229.367 3.744 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000445460763 387540256 /nfs/dbraw/zinc/54/02/56/387540256.db2.gz CWDLPTUJLNQVEJ-ZDUSSCGKSA-N 1 0 229.367 3.744 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000445809298 387969830 /nfs/dbraw/zinc/96/98/30/387969830.db2.gz GMSBFSBYUIFDAD-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000445842366 387973314 /nfs/dbraw/zinc/97/33/14/387973314.db2.gz QMRJLSLGRNOWTQ-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C=CCCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000445862891 387974940 /nfs/dbraw/zinc/97/49/40/387974940.db2.gz JIMBADGOSXEXGO-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000446001317 387984803 /nfs/dbraw/zinc/98/48/03/387984803.db2.gz JQPVARLLNUEFAC-CVEARBPZSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000446001318 387983450 /nfs/dbraw/zinc/98/34/50/387983450.db2.gz JQPVARLLNUEFAC-HOTGVXAUSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000446001319 387984330 /nfs/dbraw/zinc/98/43/30/387984330.db2.gz JQPVARLLNUEFAC-HZPDHXFCSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000446001320 387983853 /nfs/dbraw/zinc/98/38/53/387983853.db2.gz JQPVARLLNUEFAC-JKSUJKDBSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000446003586 387983721 /nfs/dbraw/zinc/98/37/21/387983721.db2.gz QEKVSMRLEORAQE-CVEARBPZSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000446003588 387984393 /nfs/dbraw/zinc/98/43/93/387984393.db2.gz QEKVSMRLEORAQE-HOTGVXAUSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000446003590 201661460 /nfs/dbraw/zinc/66/14/60/201661460.db2.gz QEKVSMRLEORAQE-HZPDHXFCSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000446003591 387983336 /nfs/dbraw/zinc/98/33/36/387983336.db2.gz QEKVSMRLEORAQE-JKSUJKDBSA-N 1 0 229.367 3.879 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCCCC(C)(C)C1 ZINC000446065923 387990597 /nfs/dbraw/zinc/99/05/97/387990597.db2.gz FJWAUOQXLZHERH-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446726950 388033750 /nfs/dbraw/zinc/03/37/50/388033750.db2.gz SKSHNNFYRSJQJC-INIZCTEOSA-N 1 0 229.367 3.616 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446726951 388032478 /nfs/dbraw/zinc/03/24/78/388032478.db2.gz SKSHNNFYRSJQJC-MRXNPFEDSA-N 1 0 229.367 3.616 20 30 BHEDRO C=CC[N@@H+](CC[C@H](C)c1ccccc1)C1CC1 ZINC000446757518 388037830 /nfs/dbraw/zinc/03/78/30/388037830.db2.gz BKROUCMTSRVFLQ-AWEZNQCLSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CC[N@@H+](CC[C@@H](C)c1ccccc1)C1CC1 ZINC000446757519 388036891 /nfs/dbraw/zinc/03/68/91/388036891.db2.gz BKROUCMTSRVFLQ-CQSZACIVSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000446810675 388039344 /nfs/dbraw/zinc/03/93/44/388039344.db2.gz QLGCPANRFCYGME-AWEZNQCLSA-N 1 0 247.382 3.838 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000446810676 388038846 /nfs/dbraw/zinc/03/88/46/388038846.db2.gz QLGCPANRFCYGME-CQSZACIVSA-N 1 0 247.382 3.838 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000446813281 388039199 /nfs/dbraw/zinc/03/91/99/388039199.db2.gz FRNWGICAUAGTFY-BVUBDWEXSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]2C2CCCCC2)C1 ZINC000446813282 388038643 /nfs/dbraw/zinc/03/86/43/388038643.db2.gz FRNWGICAUAGTFY-OEAJRASXSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000446813283 201697198 /nfs/dbraw/zinc/69/71/98/201697198.db2.gz FRNWGICAUAGTFY-SLBVQIDZSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000446813284 201697297 /nfs/dbraw/zinc/69/72/97/201697297.db2.gz FRNWGICAUAGTFY-SYAUCNOPSA-N 1 0 246.398 3.627 20 30 BHEDRO C=C(C)C[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000446817608 388039452 /nfs/dbraw/zinc/03/94/52/388039452.db2.gz IRGQBBRALBDNPD-AWEZNQCLSA-N 1 0 217.356 3.688 20 30 BHEDRO C=C(C)C[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000446817609 201698205 /nfs/dbraw/zinc/69/82/05/201698205.db2.gz IRGQBBRALBDNPD-CQSZACIVSA-N 1 0 217.356 3.688 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000446819522 388040792 /nfs/dbraw/zinc/04/07/92/388040792.db2.gz UDZFTKZXSFOSHX-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2ccn(C)c2)CCCC1(C)C ZINC000446831956 388040861 /nfs/dbraw/zinc/04/08/61/388040861.db2.gz KPGCGZVSVZAYRX-HNNXBMFYSA-N 1 0 246.398 3.592 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2ccn(C)c2)CCCC1(C)C ZINC000446831957 388040209 /nfs/dbraw/zinc/04/02/09/388040209.db2.gz KPGCGZVSVZAYRX-OAHLLOKOSA-N 1 0 246.398 3.592 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000446832842 388040394 /nfs/dbraw/zinc/04/03/94/388040394.db2.gz AVKUHYGMOCOHNA-GDBMZVCRSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000446832843 388041171 /nfs/dbraw/zinc/04/11/71/388041171.db2.gz AVKUHYGMOCOHNA-GOEBONIOSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H](OCC)c1ccccc1 ZINC000446832844 388041178 /nfs/dbraw/zinc/04/11/78/388041178.db2.gz AVKUHYGMOCOHNA-HOCLYGCPSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H](OCC)c1ccccc1 ZINC000446832845 201697853 /nfs/dbraw/zinc/69/78/53/201697853.db2.gz AVKUHYGMOCOHNA-ZBFHGGJFSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2cccn2C)CCCC1(C)C ZINC000446833497 388041055 /nfs/dbraw/zinc/04/10/55/388041055.db2.gz SPSSHWKBJAPHGU-HNNXBMFYSA-N 1 0 246.398 3.592 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2cccn2C)CCCC1(C)C ZINC000446833498 388040358 /nfs/dbraw/zinc/04/03/58/388040358.db2.gz SPSSHWKBJAPHGU-OAHLLOKOSA-N 1 0 246.398 3.592 20 30 BHEDRO C=CC[C@@H]1[N@@H+](Cc2ccco2)CCCC1(C)C ZINC000446854851 201699539 /nfs/dbraw/zinc/69/95/39/201699539.db2.gz COBRPDPVLHMDND-AWEZNQCLSA-N 1 0 233.355 3.846 20 30 BHEDRO C=CC[C@H]1[N@@H+](Cc2ccco2)CCCC1(C)C ZINC000446854852 388042590 /nfs/dbraw/zinc/04/25/90/388042590.db2.gz COBRPDPVLHMDND-CQSZACIVSA-N 1 0 233.355 3.846 20 30 BHEDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000447066150 206092402 /nfs/dbraw/zinc/09/24/02/206092402.db2.gz DUVHSYGQSIMEEK-LBPRGKRZSA-N 1 0 246.354 3.552 20 30 BHEDRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(C#N)o1 ZINC000447090612 388734905 /nfs/dbraw/zinc/73/49/05/388734905.db2.gz YUBSQWPNLZOCIK-LBPRGKRZSA-N 1 0 246.354 3.600 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000447270179 388059900 /nfs/dbraw/zinc/05/99/00/388059900.db2.gz GJDSUOZHKYVZQX-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO C=CC[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000447270450 388059185 /nfs/dbraw/zinc/05/91/85/388059185.db2.gz KJEPXUQJBRCVGG-UHFFFAOYSA-N 1 0 244.165 3.654 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000447311720 388062329 /nfs/dbraw/zinc/06/23/29/388062329.db2.gz CPILLNXXEQEZQU-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO CC[C@H]([NH2+]CCC(C)C)c1ccc(C#N)cc1 ZINC000447507390 201721910 /nfs/dbraw/zinc/72/19/10/201721910.db2.gz HPTRENHOTRJXQC-HNNXBMFYSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@@H]([NH2+]CCC(C)C)c1ccc(C#N)cc1 ZINC000447507391 388737002 /nfs/dbraw/zinc/73/70/02/388737002.db2.gz HPTRENHOTRJXQC-OAHLLOKOSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC(CC)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000447513980 388736748 /nfs/dbraw/zinc/73/67/48/388736748.db2.gz AEFYHUXYLQSAIB-HNNXBMFYSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC(CC)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000447513981 388737129 /nfs/dbraw/zinc/73/71/29/388737129.db2.gz AEFYHUXYLQSAIB-OAHLLOKOSA-N 1 0 230.355 3.788 20 30 BHEDRO CC[C@H]([NH2+]C1CCCCC1)c1ccc(C#N)cc1 ZINC000447514059 388736439 /nfs/dbraw/zinc/73/64/39/388736439.db2.gz ASKIFDXYVRYPMB-INIZCTEOSA-N 1 0 242.366 3.932 20 30 BHEDRO CC[C@@H]([NH2+]C1CCCCC1)c1ccc(C#N)cc1 ZINC000447514060 388736796 /nfs/dbraw/zinc/73/67/96/388736796.db2.gz ASKIFDXYVRYPMB-MRXNPFEDSA-N 1 0 242.366 3.932 20 30 BHEDRO CCCCC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000447519182 201722315 /nfs/dbraw/zinc/72/23/15/201722315.db2.gz PVUOYMUOMMAVLC-HNNXBMFYSA-N 1 0 230.355 3.789 20 30 BHEDRO CCCCC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000447519183 384723357 /nfs/dbraw/zinc/72/33/57/384723357.db2.gz PVUOYMUOMMAVLC-OAHLLOKOSA-N 1 0 230.355 3.789 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447527155 201721903 /nfs/dbraw/zinc/72/19/03/201721903.db2.gz FIUGYJRVPVEODS-FPCVCCKLSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447527156 388075854 /nfs/dbraw/zinc/07/58/54/388075854.db2.gz FIUGYJRVPVEODS-KLHDSHLOSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447527157 388075368 /nfs/dbraw/zinc/07/53/68/388075368.db2.gz FIUGYJRVPVEODS-QKPAOTATSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447527158 388075376 /nfs/dbraw/zinc/07/53/76/388075376.db2.gz FIUGYJRVPVEODS-QXSJWSMHSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(C#N)cc1 ZINC000447535669 388736415 /nfs/dbraw/zinc/73/64/15/388736415.db2.gz HQZHQKQIEUWRAX-BLLLJJGKSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@H](C)CC1CC1)c1ccc(C#N)cc1 ZINC000447535670 388737161 /nfs/dbraw/zinc/73/71/61/388737161.db2.gz HQZHQKQIEUWRAX-LRDDRELGSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+][C@H](C)CC1CC1)c1ccc(C#N)cc1 ZINC000447535671 201722711 /nfs/dbraw/zinc/72/27/11/201722711.db2.gz HQZHQKQIEUWRAX-MLGOLLRUSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)CC1CC1)c1ccc(C#N)cc1 ZINC000447535672 388736640 /nfs/dbraw/zinc/73/66/40/388736640.db2.gz HQZHQKQIEUWRAX-WBMJQRKESA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)C)c1ccc(C#N)cc1 ZINC000447542993 388736969 /nfs/dbraw/zinc/73/69/69/388736969.db2.gz QSDHBZXWKJCMKJ-AWEZNQCLSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)C)c1ccc(C#N)cc1 ZINC000447542995 201722443 /nfs/dbraw/zinc/72/24/43/201722443.db2.gz QSDHBZXWKJCMKJ-CQSZACIVSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@H]([NH2+]C[C@H](C)C(C)C)c1ccc(C#N)cc1 ZINC000447544496 201721611 /nfs/dbraw/zinc/72/16/11/201721611.db2.gz VSFPFFQVYSDYQD-BBRMVZONSA-N 1 0 244.382 3.891 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H](C)C(C)C)c1ccc(C#N)cc1 ZINC000447544497 201724243 /nfs/dbraw/zinc/72/42/43/201724243.db2.gz VSFPFFQVYSDYQD-CJNGLKHVSA-N 1 0 244.382 3.891 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H](C)C(C)C)c1ccc(C#N)cc1 ZINC000447544498 388736702 /nfs/dbraw/zinc/73/67/02/388736702.db2.gz VSFPFFQVYSDYQD-CZUORRHYSA-N 1 0 244.382 3.891 20 30 BHEDRO CC[C@@H]([NH2+]C[C@H](C)C(C)C)c1ccc(C#N)cc1 ZINC000447544499 388736582 /nfs/dbraw/zinc/73/65/82/388736582.db2.gz VSFPFFQVYSDYQD-XJKSGUPXSA-N 1 0 244.382 3.891 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000447561367 388077914 /nfs/dbraw/zinc/07/79/14/388077914.db2.gz IAYBBEBQOPNTCH-DGADGQDISA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC000447561368 201723847 /nfs/dbraw/zinc/72/38/47/201723847.db2.gz IAYBBEBQOPNTCH-DGXTUMSLSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000447561369 388077843 /nfs/dbraw/zinc/07/78/43/388077843.db2.gz IAYBBEBQOPNTCH-OLMNGRFOSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)C1 ZINC000447561370 219811009 /nfs/dbraw/zinc/81/10/09/219811009.db2.gz IAYBBEBQOPNTCH-RBGFHDKUSA-N 1 0 246.398 3.627 20 30 BHEDRO CC[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000447581811 388736556 /nfs/dbraw/zinc/73/65/56/388736556.db2.gz WIIWYPBVDWFQJK-CABCVRRESA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000447581812 388736636 /nfs/dbraw/zinc/73/66/36/388736636.db2.gz WIIWYPBVDWFQJK-GJZGRUSLSA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000447581813 201724504 /nfs/dbraw/zinc/72/45/04/201724504.db2.gz WIIWYPBVDWFQJK-HUUCEWRRSA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000447581814 388736678 /nfs/dbraw/zinc/73/66/78/388736678.db2.gz WIIWYPBVDWFQJK-LSDHHAIUSA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@H]([NH2+]CC1(CC)CC1)c1ccc(C#N)cc1 ZINC000447584560 388736483 /nfs/dbraw/zinc/73/64/83/388736483.db2.gz GHKIVFHBGWHXKF-HNNXBMFYSA-N 1 0 242.366 3.789 20 30 BHEDRO CC[C@@H]([NH2+]CC1(CC)CC1)c1ccc(C#N)cc1 ZINC000447584561 388736390 /nfs/dbraw/zinc/73/63/90/388736390.db2.gz GHKIVFHBGWHXKF-OAHLLOKOSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447585940 388081020 /nfs/dbraw/zinc/08/10/20/388081020.db2.gz LBQGNEHTHOHGSG-BARDWOONSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447585941 388080954 /nfs/dbraw/zinc/08/09/54/388080954.db2.gz LBQGNEHTHOHGSG-KBXIAJHMSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447585942 388080742 /nfs/dbraw/zinc/08/07/42/388080742.db2.gz LBQGNEHTHOHGSG-QPSCCSFWSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447585943 388081027 /nfs/dbraw/zinc/08/10/27/388081027.db2.gz LBQGNEHTHOHGSG-TUVASFSCSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@H]([NH2+]CC1(C)CCC1)c1ccc(C#N)cc1 ZINC000447590013 388737210 /nfs/dbraw/zinc/73/72/10/388737210.db2.gz ZQUWIOLGCIMYQK-HNNXBMFYSA-N 1 0 242.366 3.789 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C)CCC1)c1ccc(C#N)cc1 ZINC000447590014 388737037 /nfs/dbraw/zinc/73/70/37/388737037.db2.gz ZQUWIOLGCIMYQK-OAHLLOKOSA-N 1 0 242.366 3.789 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447595550 388737231 /nfs/dbraw/zinc/73/72/31/388737231.db2.gz AHJFGVWRXLNHEK-KCXAZCMYSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447595552 256517843 /nfs/dbraw/zinc/51/78/43/256517843.db2.gz AHJFGVWRXLNHEK-MAZHCROVSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447595555 388736561 /nfs/dbraw/zinc/73/65/61/388736561.db2.gz AHJFGVWRXLNHEK-RCBQFDQVSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447595557 388736961 /nfs/dbraw/zinc/73/69/61/388736961.db2.gz AHJFGVWRXLNHEK-WQVCFCJDSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+]CCC=C(C)C)c1ccc(C#N)cc1 ZINC000447601934 388736513 /nfs/dbraw/zinc/73/65/13/388736513.db2.gz QVVXQKDZTHRGSG-INIZCTEOSA-N 1 0 242.366 3.955 20 30 BHEDRO CC[C@@H]([NH2+]CCC=C(C)C)c1ccc(C#N)cc1 ZINC000447601935 388737229 /nfs/dbraw/zinc/73/72/29/388737229.db2.gz QVVXQKDZTHRGSG-MRXNPFEDSA-N 1 0 242.366 3.955 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000447603739 388081728 /nfs/dbraw/zinc/08/17/28/388081728.db2.gz YWJVZGCIESVLEO-INIZCTEOSA-N 1 0 242.366 3.955 20 30 BHEDRO C=CCCCC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000447603840 388082139 /nfs/dbraw/zinc/08/21/39/388082139.db2.gz YWJVZGCIESVLEO-MRXNPFEDSA-N 1 0 242.366 3.955 20 30 BHEDRO C=C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000447736326 388090525 /nfs/dbraw/zinc/09/05/25/388090525.db2.gz LLFOMNOOZXJPJO-HNNXBMFYSA-N 1 0 229.367 3.832 20 30 BHEDRO C=C1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000447736327 388090760 /nfs/dbraw/zinc/09/07/60/388090760.db2.gz LLFOMNOOZXJPJO-OAHLLOKOSA-N 1 0 229.367 3.832 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000447797677 388093926 /nfs/dbraw/zinc/09/39/26/388093926.db2.gz MKSZLLWAHGLJPO-CYBMUJFWSA-N 1 0 237.293 3.508 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000447797678 388093591 /nfs/dbraw/zinc/09/35/91/388093591.db2.gz MKSZLLWAHGLJPO-ZDUSSCGKSA-N 1 0 237.293 3.508 20 30 BHEDRO C=CCCCNc1cc[nH+]c2cc(F)ccc12 ZINC000447810110 388094076 /nfs/dbraw/zinc/09/40/76/388094076.db2.gz GJTRLMNRVQCQMX-UHFFFAOYSA-N 1 0 230.286 3.752 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000448021344 384458201 /nfs/dbraw/zinc/45/82/01/384458201.db2.gz ICXSDNJURKUJIW-AWEZNQCLSA-N 1 0 249.329 3.595 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000448021345 384459594 /nfs/dbraw/zinc/45/95/94/384459594.db2.gz ICXSDNJURKUJIW-CQSZACIVSA-N 1 0 249.329 3.595 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000448022985 384477700 /nfs/dbraw/zinc/47/77/00/384477700.db2.gz QYSOABDDMWFDTP-HNNXBMFYSA-N 1 0 231.383 3.872 20 30 BHEDRO C=CCCC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000448022986 384476426 /nfs/dbraw/zinc/47/64/26/384476426.db2.gz QYSOABDDMWFDTP-OAHLLOKOSA-N 1 0 231.383 3.872 20 30 BHEDRO C=CCCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000448023056 200679959 /nfs/dbraw/zinc/67/99/59/200679959.db2.gz RKPOCMRUGSDUDP-CWRNSKLLSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000448023057 384477675 /nfs/dbraw/zinc/47/76/75/384477675.db2.gz RKPOCMRUGSDUDP-FVQBIDKESA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000448023058 384477021 /nfs/dbraw/zinc/47/70/21/384477021.db2.gz RKPOCMRUGSDUDP-NUEKZKHPSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000448023059 200680060 /nfs/dbraw/zinc/68/00/60/200680060.db2.gz RKPOCMRUGSDUDP-VNQPRFMTSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCCC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000448023644 384482946 /nfs/dbraw/zinc/48/29/46/384482946.db2.gz UOMHJMOLAYJSNE-ABAIWWIYSA-N 1 0 233.330 3.615 20 30 BHEDRO C=CCCC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000448023645 384482625 /nfs/dbraw/zinc/48/26/25/384482625.db2.gz UOMHJMOLAYJSNE-IAQYHMDHSA-N 1 0 233.330 3.615 20 30 BHEDRO C=CCCC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000448023646 384482038 /nfs/dbraw/zinc/48/20/38/384482038.db2.gz UOMHJMOLAYJSNE-NHYWBVRUSA-N 1 0 233.330 3.615 20 30 BHEDRO C=CCCC[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000448023647 384483113 /nfs/dbraw/zinc/48/31/13/384483113.db2.gz UOMHJMOLAYJSNE-XHDPSFHLSA-N 1 0 233.330 3.615 20 30 BHEDRO C=CCCC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000448023885 384485848 /nfs/dbraw/zinc/48/58/48/384485848.db2.gz VMTAGWVYCBVAAD-KRWDZBQOSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCCC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000448023886 384484379 /nfs/dbraw/zinc/48/43/79/384484379.db2.gz VMTAGWVYCBVAAD-QGZVFWFLSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000448024399 200679824 /nfs/dbraw/zinc/67/98/24/200679824.db2.gz YFJSKHYTNCHRLC-HNNXBMFYSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000448024400 398314043 /nfs/dbraw/zinc/31/40/43/398314043.db2.gz YFJSKHYTNCHRLC-OAHLLOKOSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000448024815 384490029 /nfs/dbraw/zinc/49/00/29/384490029.db2.gz AULKOFCNETWAOM-CYBMUJFWSA-N 1 0 233.355 3.849 20 30 BHEDRO C=CCCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000448024816 384489739 /nfs/dbraw/zinc/48/97/39/384489739.db2.gz AULKOFCNETWAOM-ZDUSSCGKSA-N 1 0 233.355 3.849 20 30 BHEDRO C=CCCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000448024925 384492493 /nfs/dbraw/zinc/49/24/93/384492493.db2.gz BEVJPXXFBSGSGZ-HNNXBMFYSA-N 1 0 233.355 3.985 20 30 BHEDRO C=CCCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000448024926 384490768 /nfs/dbraw/zinc/49/07/68/384490768.db2.gz BEVJPXXFBSGSGZ-OAHLLOKOSA-N 1 0 233.355 3.985 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000448026097 384502219 /nfs/dbraw/zinc/50/22/19/384502219.db2.gz GXDUJAQOJQYMQE-AWEZNQCLSA-N 1 0 249.329 3.595 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000448026098 200681045 /nfs/dbraw/zinc/68/10/45/200681045.db2.gz GXDUJAQOJQYMQE-CQSZACIVSA-N 1 0 249.329 3.595 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000448026109 200680385 /nfs/dbraw/zinc/68/03/85/200680385.db2.gz GZRFXWUEOIWSBH-HNNXBMFYSA-N 1 0 245.366 3.765 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000448026110 384502027 /nfs/dbraw/zinc/50/20/27/384502027.db2.gz GZRFXWUEOIWSBH-OAHLLOKOSA-N 1 0 245.366 3.765 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000448026537 384504451 /nfs/dbraw/zinc/50/44/51/384504451.db2.gz IPKKZPPVPKOXCF-GFCCVEGCSA-N 1 0 248.326 3.520 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000448026538 384504690 /nfs/dbraw/zinc/50/46/90/384504690.db2.gz IPKKZPPVPKOXCF-LBPRGKRZSA-N 1 0 248.326 3.520 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000448027513 384524600 /nfs/dbraw/zinc/52/46/00/384524600.db2.gz NITBAMAPMNKAQQ-HNNXBMFYSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000448027514 384524981 /nfs/dbraw/zinc/52/49/81/384524981.db2.gz NITBAMAPMNKAQQ-OAHLLOKOSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCCC[NH2+][C@H](C)CCc1ccccc1F ZINC000448029320 384561387 /nfs/dbraw/zinc/56/13/87/384561387.db2.gz QBUSMRCRIABIFX-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000448029325 384561676 /nfs/dbraw/zinc/56/16/76/384561676.db2.gz QBUSMRCRIABIFX-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000448029457 200680246 /nfs/dbraw/zinc/68/02/46/200680246.db2.gz QLZUEZTYYNLZTJ-HNNXBMFYSA-N 1 0 245.366 3.765 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000448029458 384561468 /nfs/dbraw/zinc/56/14/68/384561468.db2.gz QLZUEZTYYNLZTJ-OAHLLOKOSA-N 1 0 245.366 3.765 20 30 BHEDRO C=CCCC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000448030773 527235797 /nfs/dbraw/zinc/23/57/97/527235797.db2.gz SPMBJHCJNGDFFO-INIZCTEOSA-N 1 0 231.383 3.810 20 30 BHEDRO C=CCCC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000448030774 384665111 /nfs/dbraw/zinc/66/51/11/384665111.db2.gz SPMBJHCJNGDFFO-MRXNPFEDSA-N 1 0 231.383 3.810 20 30 BHEDRO C=CCCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000448032998 200686152 /nfs/dbraw/zinc/68/61/52/200686152.db2.gz XRXTWXPOTQKJJQ-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000448033000 385038567 /nfs/dbraw/zinc/03/85/67/385038567.db2.gz XRXTWXPOTQKJJQ-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000448033176 385133287 /nfs/dbraw/zinc/13/32/87/385133287.db2.gz YBFKBPPADXYTEH-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000448033177 385135643 /nfs/dbraw/zinc/13/56/43/385135643.db2.gz YBFKBPPADXYTEH-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCCC[NH2+][C@H](C)Cc1ccccc1SC ZINC000448034050 383858140 /nfs/dbraw/zinc/85/81/40/383858140.db2.gz ZOAFOTWKXPJXSF-CYBMUJFWSA-N 1 0 249.423 3.895 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)Cc1ccccc1SC ZINC000448034051 383858541 /nfs/dbraw/zinc/85/85/41/383858541.db2.gz ZOAFOTWKXPJXSF-ZDUSSCGKSA-N 1 0 249.423 3.895 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000448034062 205486053 /nfs/dbraw/zinc/48/60/53/205486053.db2.gz ZQCRPPRBLJZRKD-HNNXBMFYSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000448034063 383857480 /nfs/dbraw/zinc/85/74/80/383857480.db2.gz ZQCRPPRBLJZRKD-OAHLLOKOSA-N 1 0 233.330 3.759 20 30 BHEDRO C[C@@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000448450509 201044244 /nfs/dbraw/zinc/04/42/44/201044244.db2.gz ARDKMBZOEKRNDR-CYBMUJFWSA-N 1 0 247.769 3.566 20 30 BHEDRO C[C@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000448450510 201043764 /nfs/dbraw/zinc/04/37/64/201043764.db2.gz ARDKMBZOEKRNDR-ZDUSSCGKSA-N 1 0 247.769 3.566 20 30 BHEDRO C=C(C)C[N@H+](CC)CC#Cc1cccc(Cl)c1 ZINC000448453935 201053240 /nfs/dbraw/zinc/05/32/40/201053240.db2.gz FDQGCNKOLDHBSF-UHFFFAOYSA-N 1 0 247.769 3.590 20 30 BHEDRO Clc1cccc(C#CC[NH+]2CCCCCC2)c1 ZINC000448532564 201163548 /nfs/dbraw/zinc/16/35/48/201163548.db2.gz NOELHPZOPZWYIY-UHFFFAOYSA-N 1 0 247.769 3.568 20 30 BHEDRO CCC[C@H]([NH2+]Cc1ccccc1C#N)C1CCC1 ZINC000448552488 201239579 /nfs/dbraw/zinc/23/95/79/201239579.db2.gz AFMYMPCLPKLWRB-INIZCTEOSA-N 1 0 242.366 3.617 20 30 BHEDRO CCC[C@@H]([NH2+]Cc1ccccc1C#N)C1CCC1 ZINC000448552489 201239701 /nfs/dbraw/zinc/23/97/01/201239701.db2.gz AFMYMPCLPKLWRB-MRXNPFEDSA-N 1 0 242.366 3.617 20 30 BHEDRO C=C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449023927 388132044 /nfs/dbraw/zinc/13/20/44/388132044.db2.gz WJYVICPSFCEZLO-UHFFFAOYSA-N 1 0 227.307 3.585 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449060874 388137647 /nfs/dbraw/zinc/13/76/47/388137647.db2.gz DZMDJYVCNZPOAE-NFOMZHRRSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449060875 388137614 /nfs/dbraw/zinc/13/76/14/388137614.db2.gz DZMDJYVCNZPOAE-WLYUNCDWSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H]1C ZINC000449061164 388137173 /nfs/dbraw/zinc/13/71/73/388137173.db2.gz HRNARLMQXUIXBA-AQIKHJSRSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H]1C ZINC000449061165 385488048 /nfs/dbraw/zinc/48/80/48/385488048.db2.gz HRNARLMQXUIXBA-LFOPHDTNSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H]1C ZINC000449061168 385488833 /nfs/dbraw/zinc/48/88/33/385488833.db2.gz HRNARLMQXUIXBA-QTJAEWGCSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H]1C ZINC000449061171 385488206 /nfs/dbraw/zinc/48/82/06/385488206.db2.gz HRNARLMQXUIXBA-WJTFHPDPSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccco1 ZINC000449063831 388137400 /nfs/dbraw/zinc/13/74/00/388137400.db2.gz RHGGKRFGADIMDA-CYBMUJFWSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccco1 ZINC000449063832 201799059 /nfs/dbraw/zinc/79/90/59/201799059.db2.gz RHGGKRFGADIMDA-ZDUSSCGKSA-N 1 0 221.344 3.547 20 30 BHEDRO CC1(C#N)CCC([NH2+]CCC2CCCC2)CC1 ZINC000449069386 201801003 /nfs/dbraw/zinc/80/10/03/201801003.db2.gz GFEOVWNRTUJKQR-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C#N)CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000449070256 388139100 /nfs/dbraw/zinc/13/91/00/388139100.db2.gz ZXOVXSNAYZEVIK-UHFFFAOYSA-N 1 0 246.398 3.939 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000449085873 201805433 /nfs/dbraw/zinc/80/54/33/201805433.db2.gz APNDSNAFJFSUBC-CYBMUJFWSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000449085875 388140599 /nfs/dbraw/zinc/14/05/99/388140599.db2.gz APNDSNAFJFSUBC-ZDUSSCGKSA-N 1 0 232.371 3.615 20 30 BHEDRO C[C@H]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449091694 388141187 /nfs/dbraw/zinc/14/11/87/388141187.db2.gz KDYSTJQNDITDRX-FXQLRMTLSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449091695 201805371 /nfs/dbraw/zinc/80/53/71/201805371.db2.gz KDYSTJQNDITDRX-QRNKSROTSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449091696 201805255 /nfs/dbraw/zinc/80/52/55/201805255.db2.gz KDYSTJQNDITDRX-QVOMUQBLSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449091697 201807102 /nfs/dbraw/zinc/80/71/02/201807102.db2.gz KDYSTJQNDITDRX-WXLSXGNJSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449095098 388141042 /nfs/dbraw/zinc/14/10/42/388141042.db2.gz WEXVOOMSNGXXEU-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]1CCCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449096723 388142343 /nfs/dbraw/zinc/14/23/43/388142343.db2.gz JTQWDGMOGWVQHJ-FXQLRMTLSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449096724 388142194 /nfs/dbraw/zinc/14/21/94/388142194.db2.gz JTQWDGMOGWVQHJ-QRNKSROTSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449096725 388142089 /nfs/dbraw/zinc/14/20/89/388142089.db2.gz JTQWDGMOGWVQHJ-QVOMUQBLSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449096726 201807867 /nfs/dbraw/zinc/80/78/67/201807867.db2.gz JTQWDGMOGWVQHJ-WXLSXGNJSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC000449098865 388141912 /nfs/dbraw/zinc/14/19/12/388141912.db2.gz RMCNIRGEBMRQDX-LLVKDONJSA-N 1 0 236.359 3.516 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1c(C)noc1C ZINC000449098866 388141760 /nfs/dbraw/zinc/14/17/60/388141760.db2.gz RMCNIRGEBMRQDX-NSHDSACASA-N 1 0 236.359 3.516 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000449102652 388142672 /nfs/dbraw/zinc/14/26/72/388142672.db2.gz KQKNISIAIOJEDX-AWEZNQCLSA-N 1 0 247.382 3.659 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000449102653 200656849 /nfs/dbraw/zinc/65/68/49/200656849.db2.gz KQKNISIAIOJEDX-CQSZACIVSA-N 1 0 247.382 3.659 20 30 BHEDRO C=C(C[NH2+][C@@H](C)Cc1ccoc1)c1ccccc1 ZINC000449103907 201809628 /nfs/dbraw/zinc/80/96/28/201809628.db2.gz SMOQINONBKJMSW-AWEZNQCLSA-N 1 0 241.334 3.514 20 30 BHEDRO C=C(C[NH2+][C@H](C)Cc1ccoc1)c1ccccc1 ZINC000449103908 388143105 /nfs/dbraw/zinc/14/31/05/388143105.db2.gz SMOQINONBKJMSW-CQSZACIVSA-N 1 0 241.334 3.514 20 30 BHEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449104947 388142913 /nfs/dbraw/zinc/14/29/13/388142913.db2.gz XEXQQQGVZXSABV-AURRFLRISA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449104948 388142661 /nfs/dbraw/zinc/14/26/61/388142661.db2.gz XEXQQQGVZXSABV-ILGZHXLLSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449104949 388142759 /nfs/dbraw/zinc/14/27/59/388142759.db2.gz XEXQQQGVZXSABV-NOZYUVCASA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccccc1O ZINC000449113844 201812593 /nfs/dbraw/zinc/81/25/93/201812593.db2.gz XOJCJHSPRSETIN-AWEZNQCLSA-N 1 0 247.382 3.659 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccccc1O ZINC000449113845 517326806 /nfs/dbraw/zinc/32/68/06/517326806.db2.gz XOJCJHSPRSETIN-CQSZACIVSA-N 1 0 247.382 3.659 20 30 BHEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC000449124763 388146363 /nfs/dbraw/zinc/14/63/63/388146363.db2.gz HEZUHJZGKMXAMB-JVWICGRDSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC000449124764 388145936 /nfs/dbraw/zinc/14/59/36/388145936.db2.gz HEZUHJZGKMXAMB-OWYJLGKBSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@H]([NH2+]CCCCC#N)C1CCCC1 ZINC000449130012 388145992 /nfs/dbraw/zinc/14/59/92/388145992.db2.gz FKAJRECKVXUJRE-AWEZNQCLSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC[C@@H]([NH2+]CCCCC#N)C1CCCC1 ZINC000449130013 388146029 /nfs/dbraw/zinc/14/60/29/388146029.db2.gz FKAJRECKVXUJRE-CQSZACIVSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC[C@H](CC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449130725 388146626 /nfs/dbraw/zinc/14/66/26/388146626.db2.gz HODGNVJRGLASDL-HSBZDZAISA-N 1 0 222.376 3.627 20 30 BHEDRO CCC[C@@H](CC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449130726 388147165 /nfs/dbraw/zinc/14/71/65/388147165.db2.gz HODGNVJRGLASDL-IYXRBSQSSA-N 1 0 222.376 3.627 20 30 BHEDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000449131251 388146849 /nfs/dbraw/zinc/14/68/49/388146849.db2.gz LDVACMKKHNATIF-CABCVRRESA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CC[C@H]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000449131252 388146831 /nfs/dbraw/zinc/14/68/31/388146831.db2.gz LDVACMKKHNATIF-GJZGRUSLSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000449131253 388146661 /nfs/dbraw/zinc/14/66/61/388146661.db2.gz LDVACMKKHNATIF-HUUCEWRRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CC[C@H]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000449131254 388146907 /nfs/dbraw/zinc/14/69/07/388146907.db2.gz LDVACMKKHNATIF-LSDHHAIUSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC1CCSCC1 ZINC000449145004 388148420 /nfs/dbraw/zinc/14/84/20/388148420.db2.gz KEOGKKWWYAPGPW-CYBMUJFWSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC1CCSCC1 ZINC000449145005 201819579 /nfs/dbraw/zinc/81/95/79/201819579.db2.gz KEOGKKWWYAPGPW-ZDUSSCGKSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCC1CCOCC1 ZINC000449145106 201818938 /nfs/dbraw/zinc/81/89/38/201818938.db2.gz WBPRJVKYTBVMGL-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000449145107 388148374 /nfs/dbraw/zinc/14/83/74/388148374.db2.gz WBPRJVKYTBVMGL-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000449147757 388148930 /nfs/dbraw/zinc/14/89/30/388148930.db2.gz RFNLUDWTWAAVPI-KBPBESRZSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000449147758 388148904 /nfs/dbraw/zinc/14/89/04/388148904.db2.gz RFNLUDWTWAAVPI-KGLIPLIRSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449148970 388149064 /nfs/dbraw/zinc/14/90/64/388149064.db2.gz LUKMBQHSONLMBF-CHWSQXEVSA-N 1 0 243.350 3.918 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449148971 201821453 /nfs/dbraw/zinc/82/14/53/201821453.db2.gz LUKMBQHSONLMBF-OLZOCXBDSA-N 1 0 243.350 3.918 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449148972 388148881 /nfs/dbraw/zinc/14/88/81/388148881.db2.gz LUKMBQHSONLMBF-QWHCGFSZSA-N 1 0 243.350 3.918 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449148973 388149434 /nfs/dbraw/zinc/14/94/34/388149434.db2.gz LUKMBQHSONLMBF-STQMWFEESA-N 1 0 243.350 3.918 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC000449149686 388149399 /nfs/dbraw/zinc/14/93/99/388149399.db2.gz OMCOBMLQWIHCPK-AQIKHJSRSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC000449149687 388149230 /nfs/dbraw/zinc/14/92/30/388149230.db2.gz OMCOBMLQWIHCPK-LFOPHDTNSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC000449149688 201821063 /nfs/dbraw/zinc/82/10/63/201821063.db2.gz OMCOBMLQWIHCPK-QTJAEWGCSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC000449149689 201820413 /nfs/dbraw/zinc/82/04/13/201820413.db2.gz OMCOBMLQWIHCPK-WJTFHPDPSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449151009 388149097 /nfs/dbraw/zinc/14/90/97/388149097.db2.gz VEDVRHQVRHADJR-GHMZBOCLSA-N 1 0 239.309 3.623 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449151010 388149286 /nfs/dbraw/zinc/14/92/86/388149286.db2.gz VEDVRHQVRHADJR-MNOVXSKESA-N 1 0 239.309 3.623 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449151011 388149228 /nfs/dbraw/zinc/14/92/28/388149228.db2.gz VEDVRHQVRHADJR-QWRGUYRKSA-N 1 0 239.309 3.623 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449151012 388149058 /nfs/dbraw/zinc/14/90/58/388149058.db2.gz VEDVRHQVRHADJR-WDEREUQCSA-N 1 0 239.309 3.623 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@@H](C)C1 ZINC000449158973 388150573 /nfs/dbraw/zinc/15/05/73/388150573.db2.gz WONGLPKWDXMDQU-AURRFLRISA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC([NH2+]C2CCC(C)(C#N)CC2)C[C@@H](C)C1 ZINC000449158974 201825242 /nfs/dbraw/zinc/82/52/42/201825242.db2.gz WONGLPKWDXMDQU-ILGZHXLLSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]1CC([NH2+]C2CCC(C)(C#N)CC2)C[C@H](C)C1 ZINC000449158975 201824354 /nfs/dbraw/zinc/82/43/54/201824354.db2.gz WONGLPKWDXMDQU-NOZYUVCASA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000449161349 201824710 /nfs/dbraw/zinc/82/47/10/201824710.db2.gz OPXGOTVCICBGHL-KBPBESRZSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000449161350 388151357 /nfs/dbraw/zinc/15/13/57/388151357.db2.gz OPXGOTVCICBGHL-KGLIPLIRSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000449161351 388151217 /nfs/dbraw/zinc/15/12/17/388151217.db2.gz OPXGOTVCICBGHL-UONOGXRCSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000449161352 201824939 /nfs/dbraw/zinc/82/49/39/201824939.db2.gz OPXGOTVCICBGHL-ZIAGYGMSSA-N 1 0 241.419 3.508 20 30 BHEDRO CC[C@@H](C)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449168146 388151713 /nfs/dbraw/zinc/15/17/13/388151713.db2.gz AHFLJJJHDACQSJ-DNDYEEKYSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](C)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449168147 388151983 /nfs/dbraw/zinc/15/19/83/388151983.db2.gz AHFLJJJHDACQSJ-HESLUPGFSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449168148 201826203 /nfs/dbraw/zinc/82/62/03/201826203.db2.gz AHFLJJJHDACQSJ-LMRVLLHPSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](C)C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449168149 388151636 /nfs/dbraw/zinc/15/16/36/388151636.db2.gz AHFLJJJHDACQSJ-ZUJMUWTESA-N 1 0 236.403 3.873 20 30 BHEDRO CCC1(C[NH2+]C2CCC(C)(C#N)CC2)CCC1 ZINC000449174068 388152731 /nfs/dbraw/zinc/15/27/31/388152731.db2.gz HDUYRJIPRTVTSO-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC1(C)CCOCC1 ZINC000449177166 384171785 /nfs/dbraw/zinc/17/17/85/384171785.db2.gz UZVSADFUHVHBBC-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC1(C)CCOCC1 ZINC000449177167 384171092 /nfs/dbraw/zinc/17/10/92/384171092.db2.gz UZVSADFUHVHBBC-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCC(F)(F)F ZINC000449179215 388153390 /nfs/dbraw/zinc/15/33/90/388153390.db2.gz WCEDOYRLWYNLCG-JTQLQIEISA-N 1 0 223.282 3.663 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCC(F)(F)F ZINC000449179216 388153157 /nfs/dbraw/zinc/15/31/57/388153157.db2.gz WCEDOYRLWYNLCG-SNVBAGLBSA-N 1 0 223.282 3.663 20 30 BHEDRO CCCC1(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449181831 388153886 /nfs/dbraw/zinc/15/38/86/388153886.db2.gz BKKRAFZPGPQTKN-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C#N)CCC([NH2+]CC2(C3CC3)CCC2)CC1 ZINC000449183665 201831833 /nfs/dbraw/zinc/83/18/33/201831833.db2.gz DUWKKABUCYTUMO-UHFFFAOYSA-N 1 0 246.398 3.629 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000449189647 388154981 /nfs/dbraw/zinc/15/49/81/388154981.db2.gz MKARXHOXUSILFE-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000449189648 201834173 /nfs/dbraw/zinc/83/41/73/201834173.db2.gz MKARXHOXUSILFE-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000449189649 388155096 /nfs/dbraw/zinc/15/50/96/388155096.db2.gz MKARXHOXUSILFE-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000449189650 201832893 /nfs/dbraw/zinc/83/28/93/201832893.db2.gz MKARXHOXUSILFE-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449190186 201833158 /nfs/dbraw/zinc/83/31/58/201833158.db2.gz NKXXQKVQVAXMSG-GFCCVEGCSA-N 1 0 241.334 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449190187 388155767 /nfs/dbraw/zinc/15/57/67/388155767.db2.gz NKXXQKVQVAXMSG-LBPRGKRZSA-N 1 0 241.334 3.513 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1cc2ccccc2cc1OC ZINC000449191998 384309161 /nfs/dbraw/zinc/30/91/61/384309161.db2.gz QAYIQYMCDKYDLU-GFCCVEGCSA-N 1 0 241.334 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1cc2ccccc2cc1OC ZINC000449192002 384309030 /nfs/dbraw/zinc/30/90/30/384309030.db2.gz QAYIQYMCDKYDLU-LBPRGKRZSA-N 1 0 241.334 3.513 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449195882 201834955 /nfs/dbraw/zinc/83/49/55/201834955.db2.gz WQXDXOZPBYRPOY-NEPJUHHUSA-N 1 0 229.323 3.528 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449195883 388156440 /nfs/dbraw/zinc/15/64/40/388156440.db2.gz WQXDXOZPBYRPOY-NWDGAFQWSA-N 1 0 229.323 3.528 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449195884 201836125 /nfs/dbraw/zinc/83/61/25/201836125.db2.gz WQXDXOZPBYRPOY-RYUDHWBXSA-N 1 0 229.323 3.528 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449195885 388156261 /nfs/dbraw/zinc/15/62/61/388156261.db2.gz WQXDXOZPBYRPOY-VXGBXAGGSA-N 1 0 229.323 3.528 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000449196282 200661711 /nfs/dbraw/zinc/66/17/11/200661711.db2.gz XOVHIZIXSHKRSD-DQGBIZLVSA-N 1 0 246.398 3.627 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000449196284 384351228 /nfs/dbraw/zinc/35/12/28/384351228.db2.gz XOVHIZIXSHKRSD-IBHBGHMQSA-N 1 0 246.398 3.627 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449196655 388156297 /nfs/dbraw/zinc/15/62/97/388156297.db2.gz YSPHLICRYYMLLQ-GFCCVEGCSA-N 1 0 241.334 3.513 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449196656 388156467 /nfs/dbraw/zinc/15/64/67/388156467.db2.gz YSPHLICRYYMLLQ-LBPRGKRZSA-N 1 0 241.334 3.513 20 30 BHEDRO CC(C)CC1(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449197102 388156016 /nfs/dbraw/zinc/15/60/16/388156016.db2.gz ZQYNXNKINMVXIZ-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000449197335 384354648 /nfs/dbraw/zinc/35/46/48/384354648.db2.gz ZBCLCHFGQQJGDY-GXTWGEPZSA-N 1 0 247.386 3.512 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000449197336 384354614 /nfs/dbraw/zinc/35/46/14/384354614.db2.gz ZBCLCHFGQQJGDY-JSGCOSHPSA-N 1 0 247.386 3.512 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000449197337 384354073 /nfs/dbraw/zinc/35/40/73/384354073.db2.gz ZBCLCHFGQQJGDY-OCCSQVGLSA-N 1 0 247.386 3.512 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000449197338 384354524 /nfs/dbraw/zinc/35/45/24/384354524.db2.gz ZBCLCHFGQQJGDY-TZMCWYRMSA-N 1 0 247.386 3.512 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000449199980 201834707 /nfs/dbraw/zinc/83/47/07/201834707.db2.gz CXQLKFGUEIZMOH-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@H]1OC ZINC000449199981 388156637 /nfs/dbraw/zinc/15/66/37/388156637.db2.gz CXQLKFGUEIZMOH-RRFJBIMHSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000449199982 201835140 /nfs/dbraw/zinc/83/51/40/201835140.db2.gz CXQLKFGUEIZMOH-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000449199983 201834702 /nfs/dbraw/zinc/83/47/02/201834702.db2.gz CXQLKFGUEIZMOH-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO CC1(C#N)CCC([NH2+]CC23CCC(CC2)C3)CC1 ZINC000449200592 388157100 /nfs/dbraw/zinc/15/71/00/388157100.db2.gz CHVUZLWKQCTSAJ-UHFFFAOYSA-N 1 0 246.398 3.629 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCCc1ccccn1 ZINC000449203085 388157056 /nfs/dbraw/zinc/15/70/56/388157056.db2.gz GNLSBPFKRDBYNL-HNNXBMFYSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCCc1ccccn1 ZINC000449203086 388156717 /nfs/dbraw/zinc/15/67/17/388156717.db2.gz GNLSBPFKRDBYNL-OAHLLOKOSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC000449213510 201839175 /nfs/dbraw/zinc/83/91/75/201839175.db2.gz WNMJMQJUANTUAF-AWEZNQCLSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC000449213511 201839270 /nfs/dbraw/zinc/83/92/70/201839270.db2.gz WNMJMQJUANTUAF-CQSZACIVSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccncc1C ZINC000449214461 388158476 /nfs/dbraw/zinc/15/84/76/388158476.db2.gz WTEBZBINTOOSBK-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccncc1C ZINC000449214462 388158082 /nfs/dbraw/zinc/15/80/82/388158082.db2.gz WTEBZBINTOOSBK-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000449217064 388158055 /nfs/dbraw/zinc/15/80/55/388158055.db2.gz WSJRHRFZAWWMES-KBPBESRZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000449217065 388158650 /nfs/dbraw/zinc/15/86/50/388158650.db2.gz WSJRHRFZAWWMES-KGLIPLIRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000449217066 388158531 /nfs/dbraw/zinc/15/85/31/388158531.db2.gz WSJRHRFZAWWMES-UONOGXRCSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000449217067 201840751 /nfs/dbraw/zinc/84/07/51/201840751.db2.gz WSJRHRFZAWWMES-ZIAGYGMSSA-N 1 0 239.403 3.669 20 30 BHEDRO CC1(C#N)CCC([NH2+]CCC2=CCCC2)CC1 ZINC000449217217 388158127 /nfs/dbraw/zinc/15/81/27/388158127.db2.gz XSMKZSAPPYWEKV-UHFFFAOYSA-N 1 0 232.371 3.549 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1(CC)CCOCC1 ZINC000449226831 388159482 /nfs/dbraw/zinc/15/94/82/388159482.db2.gz YLXBZVSTLREMEW-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C1(CC)CCOCC1 ZINC000449226832 388159580 /nfs/dbraw/zinc/15/95/80/388159580.db2.gz YLXBZVSTLREMEW-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C=C(C)C[N@@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449228848 541457030 /nfs/dbraw/zinc/45/70/30/541457030.db2.gz WKQDAIUJBUALRV-LLVKDONJSA-N 1 0 239.309 3.576 20 30 BHEDRO C=C(C)C[N@@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449228849 541456855 /nfs/dbraw/zinc/45/68/55/541456855.db2.gz WKQDAIUJBUALRV-NSHDSACASA-N 1 0 239.309 3.576 20 30 BHEDRO C=CC[N@H+](Cc1cccc2ccoc21)C1CC1 ZINC000449235014 388159991 /nfs/dbraw/zinc/15/99/91/388159991.db2.gz DSRHPOMVCKACMV-UHFFFAOYSA-N 1 0 227.307 3.583 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000449236882 388160068 /nfs/dbraw/zinc/16/00/68/388160068.db2.gz ZOXOJCGPAHEADZ-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000449236883 201843346 /nfs/dbraw/zinc/84/33/46/201843346.db2.gz ZOXOJCGPAHEADZ-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000449236884 388160046 /nfs/dbraw/zinc/16/00/46/388160046.db2.gz ZOXOJCGPAHEADZ-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000449236885 388160019 /nfs/dbraw/zinc/16/00/19/388160019.db2.gz ZOXOJCGPAHEADZ-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@H]1C ZINC000449240380 388161174 /nfs/dbraw/zinc/16/11/74/388161174.db2.gz YRTPHQWCUIPTCC-AQIKHJSRSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@H]1C ZINC000449240381 388160969 /nfs/dbraw/zinc/16/09/69/388160969.db2.gz YRTPHQWCUIPTCC-LFOPHDTNSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@@H]1C ZINC000449240382 388160839 /nfs/dbraw/zinc/16/08/39/388160839.db2.gz YRTPHQWCUIPTCC-QTJAEWGCSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@@H]1C ZINC000449240383 201846690 /nfs/dbraw/zinc/84/66/90/201846690.db2.gz YRTPHQWCUIPTCC-WJTFHPDPSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H](CCC1CC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449246087 388162132 /nfs/dbraw/zinc/16/21/32/388162132.db2.gz AKOLXOFWMSKKSN-GRTSSRMGSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CCC1CC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449246088 388161742 /nfs/dbraw/zinc/16/17/42/388161742.db2.gz AKOLXOFWMSKKSN-LRVUVFPRSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000449246404 388162076 /nfs/dbraw/zinc/16/20/76/388162076.db2.gz BQIREXNXUUYOKR-QEJZJMRPSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000449246405 201847391 /nfs/dbraw/zinc/84/73/91/201847391.db2.gz BQIREXNXUUYOKR-SNPRPXQTSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000449246406 388161561 /nfs/dbraw/zinc/16/15/61/388161561.db2.gz BQIREXNXUUYOKR-YUELXQCFSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C1CCC(COC)CC1 ZINC000449247235 388161947 /nfs/dbraw/zinc/16/19/47/388161947.db2.gz FLORNCZJBFBWQA-NFOMZHRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C1CCC(COC)CC1 ZINC000449247236 201845208 /nfs/dbraw/zinc/84/52/08/201845208.db2.gz FLORNCZJBFBWQA-WLYUNCDWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000449247293 201845161 /nfs/dbraw/zinc/84/51/61/201845161.db2.gz FSQGRUDFKOSYKH-KKUMJFAQSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000449247294 201848058 /nfs/dbraw/zinc/84/80/58/201848058.db2.gz FSQGRUDFKOSYKH-RRFJBIMHSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000449247295 388161826 /nfs/dbraw/zinc/16/18/26/388161826.db2.gz FSQGRUDFKOSYKH-SOUVJXGZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000449247296 388161663 /nfs/dbraw/zinc/16/16/63/388161663.db2.gz FSQGRUDFKOSYKH-ZNMIVQPWSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449248428 388162550 /nfs/dbraw/zinc/16/25/50/388162550.db2.gz HKGJAXWNJDXKOT-GFCCVEGCSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449248429 201848265 /nfs/dbraw/zinc/84/82/65/201848265.db2.gz HKGJAXWNJDXKOT-LBPRGKRZSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000449250646 201848652 /nfs/dbraw/zinc/84/86/52/201848652.db2.gz MBTMLIRWKZFIFH-CHWSQXEVSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449250647 388162540 /nfs/dbraw/zinc/16/25/40/388162540.db2.gz MBTMLIRWKZFIFH-OLZOCXBDSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000449250648 388162558 /nfs/dbraw/zinc/16/25/58/388162558.db2.gz MBTMLIRWKZFIFH-QWHCGFSZSA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449250649 388162412 /nfs/dbraw/zinc/16/24/12/388162412.db2.gz MBTMLIRWKZFIFH-STQMWFEESA-N 1 0 221.344 3.545 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449251438 388162508 /nfs/dbraw/zinc/16/25/08/388162508.db2.gz OBFCAOSFCAKDKN-NFOMZHRRSA-N 1 0 234.387 3.793 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449251439 388162633 /nfs/dbraw/zinc/16/26/33/388162633.db2.gz OBFCAOSFCAKDKN-WLYUNCDWSA-N 1 0 234.387 3.793 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000449251444 388162512 /nfs/dbraw/zinc/16/25/12/388162512.db2.gz OCRPHEFWYADTFK-KKUMJFAQSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000449251445 388162958 /nfs/dbraw/zinc/16/29/58/388162958.db2.gz OCRPHEFWYADTFK-RRFJBIMHSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000449251446 388162445 /nfs/dbraw/zinc/16/24/45/388162445.db2.gz OCRPHEFWYADTFK-SOUVJXGZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000449251447 201849791 /nfs/dbraw/zinc/84/97/91/201849791.db2.gz OCRPHEFWYADTFK-ZNMIVQPWSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000449259386 388164262 /nfs/dbraw/zinc/16/42/62/388164262.db2.gz TYEZTLLOCGQDJP-GHMZBOCLSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000449259387 388164269 /nfs/dbraw/zinc/16/42/69/388164269.db2.gz TYEZTLLOCGQDJP-MNOVXSKESA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000449259389 388164274 /nfs/dbraw/zinc/16/42/74/388164274.db2.gz TYEZTLLOCGQDJP-QWRGUYRKSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000449259390 388163097 /nfs/dbraw/zinc/16/30/97/388163097.db2.gz TYEZTLLOCGQDJP-WDEREUQCSA-N 1 0 237.309 3.909 20 30 BHEDRO CC(C)C(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449266094 201855311 /nfs/dbraw/zinc/85/53/11/201855311.db2.gz UARVHJZAIGGSPZ-UHFFFAOYSA-N 1 0 236.403 3.731 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)OCC ZINC000449267490 388164971 /nfs/dbraw/zinc/16/49/71/388164971.db2.gz ZTGFZZRYYKCRCV-CYBMUJFWSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)OCC ZINC000449267491 388164426 /nfs/dbraw/zinc/16/44/26/388164426.db2.gz ZTGFZZRYYKCRCV-ZDUSSCGKSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCC[N@@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449268303 388164398 /nfs/dbraw/zinc/16/43/98/388164398.db2.gz FRPDTXBNNYMGOH-LLVKDONJSA-N 1 0 239.309 3.576 20 30 BHEDRO C=CCC[N@@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449268304 388164390 /nfs/dbraw/zinc/16/43/90/388164390.db2.gz FRPDTXBNNYMGOH-NSHDSACASA-N 1 0 239.309 3.576 20 30 BHEDRO C=C(C)C[NH2+]Cc1cc2ccccc2cc1OC ZINC000449268418 388164916 /nfs/dbraw/zinc/16/49/16/388164916.db2.gz GSCNAWPDEWYXAM-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=C(C)C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449270973 398269855 /nfs/dbraw/zinc/26/98/55/398269855.db2.gz RVGXHSTVULCSCK-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=C(C)C[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449273461 388165612 /nfs/dbraw/zinc/16/56/12/388165612.db2.gz YSASYADAZIDEQU-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000449278547 201857355 /nfs/dbraw/zinc/85/73/55/201857355.db2.gz KHYBMMGGXITECG-KBPBESRZSA-N 1 0 241.419 3.506 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000449278548 388166183 /nfs/dbraw/zinc/16/61/83/388166183.db2.gz KHYBMMGGXITECG-KGLIPLIRSA-N 1 0 241.419 3.506 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000449286935 201859201 /nfs/dbraw/zinc/85/92/01/201859201.db2.gz VSJMAYGLSNDDJC-JTQLQIEISA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000449286936 388168435 /nfs/dbraw/zinc/16/84/35/388168435.db2.gz VSJMAYGLSNDDJC-SNVBAGLBSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000449291639 388168309 /nfs/dbraw/zinc/16/83/09/388168309.db2.gz NBPDRAGEYXUUPX-GFCCVEGCSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC1(SC)CC1 ZINC000449291640 388168028 /nfs/dbraw/zinc/16/80/28/388168028.db2.gz NBPDRAGEYXUUPX-LBPRGKRZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449293161 388169170 /nfs/dbraw/zinc/16/91/70/388169170.db2.gz UFMMBMFHCDMDAO-LLVKDONJSA-N 1 0 239.309 3.624 20 30 BHEDRO C=CCCC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449293162 388168848 /nfs/dbraw/zinc/16/88/48/388168848.db2.gz UFMMBMFHCDMDAO-NSHDSACASA-N 1 0 239.309 3.624 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000449294054 201860856 /nfs/dbraw/zinc/86/08/56/201860856.db2.gz KAGHKSZDTBKFIA-LLVKDONJSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000449294055 388169294 /nfs/dbraw/zinc/16/92/94/388169294.db2.gz KAGHKSZDTBKFIA-NSHDSACASA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1cccc(C)n1 ZINC000449294312 201861173 /nfs/dbraw/zinc/86/11/73/201861173.db2.gz LFSIAIINDBHTOO-AWEZNQCLSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cccc(C)n1 ZINC000449294313 398289649 /nfs/dbraw/zinc/28/96/49/398289649.db2.gz LFSIAIINDBHTOO-CQSZACIVSA-N 1 0 246.398 3.657 20 30 BHEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)C1CCCC1 ZINC000449300126 388170140 /nfs/dbraw/zinc/17/01/40/388170140.db2.gz CUSLQGDFDNMXEB-XUJLQICISA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CCCC1 ZINC000449300127 388169817 /nfs/dbraw/zinc/16/98/17/388169817.db2.gz CUSLQGDFDNMXEB-ZBCRRDGASA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)C(C[NH2+]C2CCC(C)(C#N)CC2)C1(C)C ZINC000449300547 388169741 /nfs/dbraw/zinc/16/97/41/388169741.db2.gz PGIAIZNCJNGXHC-UHFFFAOYSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]CCc1cccc(C#N)c1 ZINC000449302151 388748233 /nfs/dbraw/zinc/74/82/33/388748233.db2.gz JFHLDDJMTAWVSO-CYBMUJFWSA-N 1 0 244.382 3.515 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]CCc1cccc(C#N)c1 ZINC000449302152 201862522 /nfs/dbraw/zinc/86/25/22/201862522.db2.gz JFHLDDJMTAWVSO-ZDUSSCGKSA-N 1 0 244.382 3.515 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]CC1CCC(C#N)CC1 ZINC000449302727 384974203 /nfs/dbraw/zinc/97/42/03/384974203.db2.gz KOGLPXLNWNFMFQ-HSBZDZAISA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]CC1CCC(C#N)CC1 ZINC000449302728 384973202 /nfs/dbraw/zinc/97/32/02/384973202.db2.gz KOGLPXLNWNFMFQ-IYXRBSQSSA-N 1 0 236.403 3.731 20 30 BHEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)C1CCCC1 ZINC000449303557 388170161 /nfs/dbraw/zinc/17/01/61/388170161.db2.gz YMOIHGSSVONBAL-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)C1CCCC1 ZINC000449303558 388170145 /nfs/dbraw/zinc/17/01/45/388170145.db2.gz YMOIHGSSVONBAL-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000449307498 201864277 /nfs/dbraw/zinc/86/42/77/201864277.db2.gz ZZFSEXDPAYJZCX-AKZYDZMLSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000449307499 201865355 /nfs/dbraw/zinc/86/53/55/201865355.db2.gz ZZFSEXDPAYJZCX-BKAAIYKLSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000449307500 388170900 /nfs/dbraw/zinc/17/09/00/388170900.db2.gz ZZFSEXDPAYJZCX-HRMROMONSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000449307501 388170892 /nfs/dbraw/zinc/17/08/92/388170892.db2.gz ZZFSEXDPAYJZCX-KBJXHQRYSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC12CCC2 ZINC000449329313 388173615 /nfs/dbraw/zinc/17/36/15/388173615.db2.gz IDQQUJSJVJWDQX-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCC12CCC2 ZINC000449329314 388172520 /nfs/dbraw/zinc/17/25/20/388172520.db2.gz IDQQUJSJVJWDQX-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000449332698 388174542 /nfs/dbraw/zinc/17/45/42/388174542.db2.gz RYTRSRHMTRFJAR-AVGNSLFASA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000449332699 388174131 /nfs/dbraw/zinc/17/41/31/388174131.db2.gz RYTRSRHMTRFJAR-RWMBFGLXSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000449332700 388174411 /nfs/dbraw/zinc/17/44/11/388174411.db2.gz RYTRSRHMTRFJAR-XQQFMLRXSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000449332702 388174396 /nfs/dbraw/zinc/17/43/96/388174396.db2.gz RYTRSRHMTRFJAR-YNEHKIRRSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000449332831 388174368 /nfs/dbraw/zinc/17/43/68/388174368.db2.gz SUEPTCRHPCEXNR-KBPBESRZSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000449332832 388174426 /nfs/dbraw/zinc/17/44/26/388174426.db2.gz SUEPTCRHPCEXNR-KGLIPLIRSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000449332833 388174379 /nfs/dbraw/zinc/17/43/79/388174379.db2.gz SUEPTCRHPCEXNR-UONOGXRCSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000449332834 201872492 /nfs/dbraw/zinc/87/24/92/201872492.db2.gz SUEPTCRHPCEXNR-ZIAGYGMSSA-N 1 0 241.444 3.854 20 30 BHEDRO Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1F ZINC000449334071 388175248 /nfs/dbraw/zinc/17/52/48/388175248.db2.gz WPQMBHSDNGUVOU-UHFFFAOYSA-N 1 0 248.345 3.554 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000449334740 388175416 /nfs/dbraw/zinc/17/54/16/388175416.db2.gz XXKGINIBMHZVKG-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000449334741 388175456 /nfs/dbraw/zinc/17/54/56/388175456.db2.gz XXKGINIBMHZVKG-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000449334742 388175376 /nfs/dbraw/zinc/17/53/76/388175376.db2.gz XXKGINIBMHZVKG-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000449334743 388174833 /nfs/dbraw/zinc/17/48/33/388174833.db2.gz XXKGINIBMHZVKG-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000449336043 388174932 /nfs/dbraw/zinc/17/49/32/388174932.db2.gz LQONIMPHBRDIIE-DZGCQCFKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000449336044 388175299 /nfs/dbraw/zinc/17/52/99/388175299.db2.gz LQONIMPHBRDIIE-HIFRSBDPSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000449336045 201871114 /nfs/dbraw/zinc/87/11/14/201871114.db2.gz LQONIMPHBRDIIE-UKRRQHHQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000449336046 201872042 /nfs/dbraw/zinc/87/20/42/201872042.db2.gz LQONIMPHBRDIIE-ZFWWWQNUSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000449336919 388174753 /nfs/dbraw/zinc/17/47/53/388174753.db2.gz PNDMKYISVAWSIL-LLVKDONJSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000449336920 388174759 /nfs/dbraw/zinc/17/47/59/388174759.db2.gz PNDMKYISVAWSIL-NSHDSACASA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449338511 201873899 /nfs/dbraw/zinc/87/38/99/201873899.db2.gz GYIWAMMVVKAUKC-UHFFFAOYSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cc2cccnc2o1 ZINC000449340628 388176285 /nfs/dbraw/zinc/17/62/85/388176285.db2.gz PKXLKGSNXDPIGT-UHFFFAOYSA-N 1 0 244.338 3.520 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCC1(OC)CCC1 ZINC000449341640 201873590 /nfs/dbraw/zinc/87/35/90/201873590.db2.gz VGCYDHRMOMWWFS-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCC1(OC)CCC1 ZINC000449341641 388175911 /nfs/dbraw/zinc/17/59/11/388175911.db2.gz VGCYDHRMOMWWFS-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO CC1(C)CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449343409 388176889 /nfs/dbraw/zinc/17/68/89/388176889.db2.gz KEVJYMZXUJBJTE-HLIUYOAVSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449343410 388177076 /nfs/dbraw/zinc/17/70/76/388177076.db2.gz KEVJYMZXUJBJTE-VQCLRJIVSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)C1CC([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449344026 388177909 /nfs/dbraw/zinc/17/79/09/388177909.db2.gz PEZJWUCCTSZRCR-UHFFFAOYSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000449345316 388177560 /nfs/dbraw/zinc/17/75/60/388177560.db2.gz VGJZXUYXMVKVBZ-FRRDWIJNSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000449345318 388177714 /nfs/dbraw/zinc/17/77/14/388177714.db2.gz VGJZXUYXMVKVBZ-RWMBFGLXSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000449345319 388177882 /nfs/dbraw/zinc/17/78/82/388177882.db2.gz VGJZXUYXMVKVBZ-UPJWGTAASA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000449345321 201877642 /nfs/dbraw/zinc/87/76/42/201877642.db2.gz VGJZXUYXMVKVBZ-XQQFMLRXSA-N 1 0 213.340 3.602 20 30 BHEDRO CC(C)(CC[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449346507 201876419 /nfs/dbraw/zinc/87/64/19/201876419.db2.gz ZYMDJTFCTVEDCH-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000449349350 201876661 /nfs/dbraw/zinc/87/66/61/201876661.db2.gz FUKGURQNRHMTMN-GHMZBOCLSA-N 1 0 219.319 3.612 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCC(C)(F)F ZINC000449349351 388178913 /nfs/dbraw/zinc/17/89/13/388178913.db2.gz FUKGURQNRHMTMN-MNOVXSKESA-N 1 0 219.319 3.612 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCC(C)(F)F ZINC000449349352 201876558 /nfs/dbraw/zinc/87/65/58/201876558.db2.gz FUKGURQNRHMTMN-QWRGUYRKSA-N 1 0 219.319 3.612 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000449349353 388178468 /nfs/dbraw/zinc/17/84/68/388178468.db2.gz FUKGURQNRHMTMN-WDEREUQCSA-N 1 0 219.319 3.612 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350453 388178853 /nfs/dbraw/zinc/17/88/53/388178853.db2.gz WDXNELPVGJRESP-NEPJUHHUSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350456 388178497 /nfs/dbraw/zinc/17/84/97/388178497.db2.gz WDXNELPVGJRESP-RYUDHWBXSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCCC(C)(F)F ZINC000449353065 383936439 /nfs/dbraw/zinc/93/64/39/383936439.db2.gz ZWWBINXFQZOUBQ-LLVKDONJSA-N 1 0 219.319 3.756 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCCC(C)(F)F ZINC000449353066 383935916 /nfs/dbraw/zinc/93/59/16/383935916.db2.gz ZWWBINXFQZOUBQ-NSHDSACASA-N 1 0 219.319 3.756 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCC(C)(F)F ZINC000449354262 388180181 /nfs/dbraw/zinc/18/01/81/388180181.db2.gz LMXZYTSXKNJQCV-LLVKDONJSA-N 1 0 219.319 3.756 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCC(C)(F)F ZINC000449354263 388179981 /nfs/dbraw/zinc/17/99/81/388179981.db2.gz LMXZYTSXKNJQCV-NSHDSACASA-N 1 0 219.319 3.756 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCCC1CCOCC1 ZINC000449355115 388180859 /nfs/dbraw/zinc/18/08/59/388180859.db2.gz VTDTWPAMTKVRBP-HNNXBMFYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCCC1CCOCC1 ZINC000449355116 388180799 /nfs/dbraw/zinc/18/07/99/388180799.db2.gz VTDTWPAMTKVRBP-OAHLLOKOSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCC(C)(F)F ZINC000449355214 388180898 /nfs/dbraw/zinc/18/08/98/388180898.db2.gz WYOBSMKAFOJMLP-LLVKDONJSA-N 1 0 219.319 3.756 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCC(C)(F)F ZINC000449355215 388170626 /nfs/dbraw/zinc/17/06/26/388170626.db2.gz WYOBSMKAFOJMLP-NSHDSACASA-N 1 0 219.319 3.756 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000449362755 388181979 /nfs/dbraw/zinc/18/19/79/388181979.db2.gz KQUVAHMPVGPEJZ-CHWSQXEVSA-N 1 0 247.407 3.820 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000449362756 388182485 /nfs/dbraw/zinc/18/24/85/388182485.db2.gz KQUVAHMPVGPEJZ-OLZOCXBDSA-N 1 0 247.407 3.820 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000449362757 388182472 /nfs/dbraw/zinc/18/24/72/388182472.db2.gz KQUVAHMPVGPEJZ-QWHCGFSZSA-N 1 0 247.407 3.820 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000449362758 383983657 /nfs/dbraw/zinc/98/36/57/383983657.db2.gz KQUVAHMPVGPEJZ-STQMWFEESA-N 1 0 247.407 3.820 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CC)C(F)F ZINC000449363998 388182627 /nfs/dbraw/zinc/18/26/27/388182627.db2.gz QUWXGJUYYKOZGI-GHMZBOCLSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CC)C(F)F ZINC000449363999 388182456 /nfs/dbraw/zinc/18/24/56/388182456.db2.gz QUWXGJUYYKOZGI-MNOVXSKESA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)C(F)F ZINC000449364000 388182480 /nfs/dbraw/zinc/18/24/80/388182480.db2.gz QUWXGJUYYKOZGI-QWRGUYRKSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)C(F)F ZINC000449364001 388182633 /nfs/dbraw/zinc/18/26/33/388182633.db2.gz QUWXGJUYYKOZGI-WDEREUQCSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CC)C(F)F ZINC000449364188 388182681 /nfs/dbraw/zinc/18/26/81/388182681.db2.gz RIKQQXZOUGYQBM-GHMZBOCLSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CC)C(F)F ZINC000449364190 388182346 /nfs/dbraw/zinc/18/23/46/388182346.db2.gz RIKQQXZOUGYQBM-MNOVXSKESA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)C(F)F ZINC000449364191 388181879 /nfs/dbraw/zinc/18/18/79/388181879.db2.gz RIKQQXZOUGYQBM-QWRGUYRKSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)C(F)F ZINC000449364192 201883757 /nfs/dbraw/zinc/88/37/57/201883757.db2.gz RIKQQXZOUGYQBM-WDEREUQCSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449375347 388185960 /nfs/dbraw/zinc/18/59/60/388185960.db2.gz GSCYHUHCBSTLRB-HIFPTAJRSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C1CC(C)(F)C1 ZINC000449375348 388186045 /nfs/dbraw/zinc/18/60/45/388186045.db2.gz GSCYHUHCBSTLRB-PNESKVBLSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C1CC(C)(F)C1 ZINC000449376986 517329606 /nfs/dbraw/zinc/32/96/06/517329606.db2.gz QODMUIBETGYTOO-HIFPTAJRSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C1CC(C)(F)C1 ZINC000449376987 388186700 /nfs/dbraw/zinc/18/67/00/388186700.db2.gz QODMUIBETGYTOO-PNESKVBLSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccnc(C)c1 ZINC000449401872 388195467 /nfs/dbraw/zinc/19/54/67/388195467.db2.gz IYJKNHRXHDAUQL-HNNXBMFYSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccnc(C)c1 ZINC000449401873 388195076 /nfs/dbraw/zinc/19/50/76/388195076.db2.gz IYJKNHRXHDAUQL-OAHLLOKOSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449404073 201907512 /nfs/dbraw/zinc/90/75/12/201907512.db2.gz TYGZDSXLFIBPLM-CYBMUJFWSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449404074 201907371 /nfs/dbraw/zinc/90/73/71/201907371.db2.gz TYGZDSXLFIBPLM-ZDUSSCGKSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000449415228 388199194 /nfs/dbraw/zinc/19/91/94/388199194.db2.gz ODFYCAABSGZUDB-GHMZBOCLSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000449415229 388199280 /nfs/dbraw/zinc/19/92/80/388199280.db2.gz ODFYCAABSGZUDB-MNOVXSKESA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000449415230 388198877 /nfs/dbraw/zinc/19/88/77/388198877.db2.gz ODFYCAABSGZUDB-QWRGUYRKSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000449415231 388198858 /nfs/dbraw/zinc/19/88/58/388198858.db2.gz ODFYCAABSGZUDB-WDEREUQCSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)C(C)(F)F ZINC000449416913 388199927 /nfs/dbraw/zinc/19/99/27/388199927.db2.gz WFSZCAPZJSHHON-GHMZBOCLSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)C(C)(F)F ZINC000449416914 388199870 /nfs/dbraw/zinc/19/98/70/388199870.db2.gz WFSZCAPZJSHHON-MNOVXSKESA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C(C)(F)F ZINC000449416915 388200146 /nfs/dbraw/zinc/20/01/46/388200146.db2.gz WFSZCAPZJSHHON-QWRGUYRKSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)C(C)(F)F ZINC000449416916 388199497 /nfs/dbraw/zinc/19/94/97/388199497.db2.gz WFSZCAPZJSHHON-WDEREUQCSA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449422464 384315462 /nfs/dbraw/zinc/31/54/62/384315462.db2.gz DIIQNSYISDZDPB-GZBFAFLISA-N 1 0 245.366 3.843 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449422465 384316833 /nfs/dbraw/zinc/31/68/33/384316833.db2.gz DIIQNSYISDZDPB-UMVBOHGHSA-N 1 0 245.366 3.843 20 30 BHEDRO CC[C@H]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000449432299 201920485 /nfs/dbraw/zinc/92/04/85/201920485.db2.gz GSUWKZNVNDKDOQ-KBPBESRZSA-N 1 0 236.403 3.732 20 30 BHEDRO CC[C@@H]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000449432300 388204663 /nfs/dbraw/zinc/20/46/63/388204663.db2.gz GSUWKZNVNDKDOQ-KGLIPLIRSA-N 1 0 236.403 3.732 20 30 BHEDRO CC[C@H]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000449432301 388204542 /nfs/dbraw/zinc/20/45/42/388204542.db2.gz GSUWKZNVNDKDOQ-UONOGXRCSA-N 1 0 236.403 3.732 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000449432302 388205165 /nfs/dbraw/zinc/20/51/65/388205165.db2.gz GSUWKZNVNDKDOQ-ZIAGYGMSSA-N 1 0 236.403 3.732 20 30 BHEDRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000449432937 388749864 /nfs/dbraw/zinc/74/98/64/388749864.db2.gz JWPDXLGTLXHRPX-HNNXBMFYSA-N 1 0 246.354 3.552 20 30 BHEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000449432938 388749422 /nfs/dbraw/zinc/74/94/22/388749422.db2.gz JWPDXLGTLXHRPX-OAHLLOKOSA-N 1 0 246.354 3.552 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000449433130 201920595 /nfs/dbraw/zinc/92/05/95/201920595.db2.gz KWMHZGMZKHPWBT-CHWSQXEVSA-N 1 0 248.395 3.536 20 30 BHEDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000449433131 388749793 /nfs/dbraw/zinc/74/97/93/388749793.db2.gz KWMHZGMZKHPWBT-OLZOCXBDSA-N 1 0 248.395 3.536 20 30 BHEDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000449433132 388749091 /nfs/dbraw/zinc/74/90/91/388749091.db2.gz KWMHZGMZKHPWBT-QWHCGFSZSA-N 1 0 248.395 3.536 20 30 BHEDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000449433133 388749635 /nfs/dbraw/zinc/74/96/35/388749635.db2.gz KWMHZGMZKHPWBT-STQMWFEESA-N 1 0 248.395 3.536 20 30 BHEDRO CC[C@H]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449435200 201923047 /nfs/dbraw/zinc/92/30/47/201923047.db2.gz VHICAHJKLIMGRP-FXQLRMTLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@H]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449435203 388205481 /nfs/dbraw/zinc/20/54/81/388205481.db2.gz VHICAHJKLIMGRP-QRNKSROTSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449435204 388205484 /nfs/dbraw/zinc/20/54/84/388205484.db2.gz VHICAHJKLIMGRP-QVOMUQBLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449435206 388205468 /nfs/dbraw/zinc/20/54/68/388205468.db2.gz VHICAHJKLIMGRP-WXLSXGNJSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000449437301 201924777 /nfs/dbraw/zinc/92/47/77/201924777.db2.gz YTMQXXHFHFDKDW-NEPJUHHUSA-N 1 0 248.395 3.536 20 30 BHEDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000449437302 388749229 /nfs/dbraw/zinc/74/92/29/388749229.db2.gz YTMQXXHFHFDKDW-NWDGAFQWSA-N 1 0 248.395 3.536 20 30 BHEDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000449437304 388749796 /nfs/dbraw/zinc/74/97/96/388749796.db2.gz YTMQXXHFHFDKDW-RYUDHWBXSA-N 1 0 248.395 3.536 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000449437306 201923951 /nfs/dbraw/zinc/92/39/51/201923951.db2.gz YTMQXXHFHFDKDW-VXGBXAGGSA-N 1 0 248.395 3.536 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449443040 388207134 /nfs/dbraw/zinc/20/71/34/388207134.db2.gz OWEFRZZXVPWFHS-KKUMJFAQSA-N 1 0 234.387 3.793 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449443041 201926096 /nfs/dbraw/zinc/92/60/96/201926096.db2.gz OWEFRZZXVPWFHS-RRFJBIMHSA-N 1 0 234.387 3.793 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449443042 388207053 /nfs/dbraw/zinc/20/70/53/388207053.db2.gz OWEFRZZXVPWFHS-SOUVJXGZSA-N 1 0 234.387 3.793 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449443043 388207130 /nfs/dbraw/zinc/20/71/30/388207130.db2.gz OWEFRZZXVPWFHS-ZNMIVQPWSA-N 1 0 234.387 3.793 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000449443644 388749167 /nfs/dbraw/zinc/74/91/67/388749167.db2.gz UMBKTUCLYYNNER-GFCCVEGCSA-N 1 0 248.395 3.844 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000449443645 201926553 /nfs/dbraw/zinc/92/65/53/201926553.db2.gz UMBKTUCLYYNNER-LBPRGKRZSA-N 1 0 248.395 3.844 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000449444062 386397399 /nfs/dbraw/zinc/39/73/99/386397399.db2.gz XZQLRPJMSYSOJT-GFCCVEGCSA-N 1 0 248.395 3.844 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000449444063 388749663 /nfs/dbraw/zinc/74/96/63/388749663.db2.gz XZQLRPJMSYSOJT-LBPRGKRZSA-N 1 0 248.395 3.844 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCCC1 ZINC000449444343 388207019 /nfs/dbraw/zinc/20/70/19/388207019.db2.gz AFDFWTTZSSSRPP-AEGPPILISA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCCC1 ZINC000449444344 388207150 /nfs/dbraw/zinc/20/71/50/388207150.db2.gz AFDFWTTZSSSRPP-QEJZJMRPSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444356 201926333 /nfs/dbraw/zinc/92/63/33/201926333.db2.gz ANFFPCSBUCEZJA-AJNGGQMLSA-N 1 0 236.403 3.873 20 30 BHEDRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444357 201925338 /nfs/dbraw/zinc/92/53/38/201925338.db2.gz ANFFPCSBUCEZJA-KBXIAJHMSA-N 1 0 236.403 3.873 20 30 BHEDRO CCCC[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444358 388206952 /nfs/dbraw/zinc/20/69/52/388206952.db2.gz ANFFPCSBUCEZJA-QPSCCSFWSA-N 1 0 236.403 3.873 20 30 BHEDRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444359 388207201 /nfs/dbraw/zinc/20/72/01/388207201.db2.gz ANFFPCSBUCEZJA-XGUBFFRZSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@@H](CC1CCCC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444525 388207850 /nfs/dbraw/zinc/20/78/50/388207850.db2.gz BIPFFEPYZGIVPI-QEJZJMRPSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CC1CCCC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444526 388207451 /nfs/dbraw/zinc/20/74/51/388207451.db2.gz BIPFFEPYZGIVPI-SNPRPXQTSA-N 1 0 234.387 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000449444686 201925851 /nfs/dbraw/zinc/92/58/51/201925851.db2.gz CJFYBOHBWKTWLS-ARLBYUKCSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000449444687 201926877 /nfs/dbraw/zinc/92/68/77/201926877.db2.gz CJFYBOHBWKTWLS-HNKHHVNMSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000449444688 388207978 /nfs/dbraw/zinc/20/79/78/388207978.db2.gz CJFYBOHBWKTWLS-QCEMKRCNSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000449444689 388207691 /nfs/dbraw/zinc/20/76/91/388207691.db2.gz CJFYBOHBWKTWLS-TUUVXOQKSA-N 1 0 246.398 3.627 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444712 388208005 /nfs/dbraw/zinc/20/80/05/388208005.db2.gz CSOFRLMSPVYCMT-ILXRZTDVSA-N 1 0 234.387 3.793 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444713 384527169 /nfs/dbraw/zinc/52/71/69/384527169.db2.gz CSOFRLMSPVYCMT-KKUMJFAQSA-N 1 0 234.387 3.793 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000449444767 201925663 /nfs/dbraw/zinc/92/56/63/201925663.db2.gz DCZORHAEPLWGHR-ZFWWWQNUSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CCC(C[NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449444897 200681101 /nfs/dbraw/zinc/68/11/01/200681101.db2.gz DZRKWVRIGGMOMH-ZFWWWQNUSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC(CC)(CC)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444914 388207643 /nfs/dbraw/zinc/20/76/43/388207643.db2.gz FDCWBPVUVLBOMH-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC(C)(C)C1 ZINC000449444915 201927058 /nfs/dbraw/zinc/92/70/58/201927058.db2.gz FEDZFIYOUQIBGI-AJNGGQMLSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC(C)(C)C1 ZINC000449444918 201926514 /nfs/dbraw/zinc/92/65/14/201926514.db2.gz FEDZFIYOUQIBGI-ZQDZILKHSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCCCC1 ZINC000449445165 200680558 /nfs/dbraw/zinc/68/05/58/200680558.db2.gz HFIXVLWQFNKMFB-IPYPFGDCSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCCCC1 ZINC000449445166 200680389 /nfs/dbraw/zinc/68/03/89/200680389.db2.gz HFIXVLWQFNKMFB-YDHLFZDLSA-N 1 0 234.387 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000449445172 201927062 /nfs/dbraw/zinc/92/70/62/201927062.db2.gz HHQGNINYFDFNFT-HNKHHVNMSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000449445173 388207731 /nfs/dbraw/zinc/20/77/31/388207731.db2.gz HHQGNINYFDFNFT-TUUVXOQKSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000449445174 201926978 /nfs/dbraw/zinc/92/69/78/201926978.db2.gz HHQGNINYFDFNFT-UKMLZYKCSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000449445175 388207780 /nfs/dbraw/zinc/20/77/80/388207780.db2.gz HHQGNINYFDFNFT-XZDPQHSOSA-N 1 0 246.398 3.627 20 30 BHEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445226 388207776 /nfs/dbraw/zinc/20/77/76/388207776.db2.gz HXPINAIIIUSNLZ-BVUBDWEXSA-N 1 0 246.398 3.651 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445227 201926649 /nfs/dbraw/zinc/92/66/49/201926649.db2.gz HXPINAIIIUSNLZ-HNKHHVNMSA-N 1 0 246.398 3.651 20 30 BHEDRO CC1=C[C@@H](C)C[C@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445228 201926269 /nfs/dbraw/zinc/92/62/69/201926269.db2.gz HXPINAIIIUSNLZ-OEAJRASXSA-N 1 0 246.398 3.651 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445229 388207674 /nfs/dbraw/zinc/20/76/74/388207674.db2.gz HXPINAIIIUSNLZ-TUUVXOQKSA-N 1 0 246.398 3.651 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445383 388207757 /nfs/dbraw/zinc/20/77/57/388207757.db2.gz IVQZRPRSIBUJJE-KKUMJFAQSA-N 1 0 234.387 3.793 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445384 388207667 /nfs/dbraw/zinc/20/76/67/388207667.db2.gz IVQZRPRSIBUJJE-ZNMIVQPWSA-N 1 0 234.387 3.793 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445470 384535736 /nfs/dbraw/zinc/53/57/36/384535736.db2.gz IXUSSSVPCREFAG-ILXRZTDVSA-N 1 0 234.387 3.793 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445471 384537108 /nfs/dbraw/zinc/53/71/08/384537108.db2.gz IXUSSSVPCREFAG-KKUMJFAQSA-N 1 0 234.387 3.793 20 30 BHEDRO CC(C)C(C[NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)C ZINC000449445850 388207755 /nfs/dbraw/zinc/20/77/55/388207755.db2.gz MCDNMYSVYVVREQ-KBPBESRZSA-N 1 0 236.403 3.587 20 30 BHEDRO CC[C@H]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445957 384539897 /nfs/dbraw/zinc/53/98/97/384539897.db2.gz MWOKMFBEVSSYLW-JONQDZQNSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445958 384538363 /nfs/dbraw/zinc/53/83/63/384538363.db2.gz MWOKMFBEVSSYLW-QXSJWSMHSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445959 384540368 /nfs/dbraw/zinc/54/03/68/384540368.db2.gz MWOKMFBEVSSYLW-UGUYLWEFSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@H]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445960 384538475 /nfs/dbraw/zinc/53/84/75/384538475.db2.gz MWOKMFBEVSSYLW-VGWMRTNUSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1C(C)(C)C1(C)C ZINC000449446112 388207968 /nfs/dbraw/zinc/20/79/68/388207968.db2.gz OPWCSTICUBTXQZ-AGIUHOORSA-N 1 0 248.414 3.729 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1C(C)(C)C1(C)C ZINC000449446113 201925791 /nfs/dbraw/zinc/92/57/91/201925791.db2.gz OPWCSTICUBTXQZ-AVGNSLFASA-N 1 0 248.414 3.729 20 30 BHEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446183 388207509 /nfs/dbraw/zinc/20/75/09/388207509.db2.gz ONUBDSUOSDILCY-AJNGGQMLSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446184 388207790 /nfs/dbraw/zinc/20/77/90/388207790.db2.gz ONUBDSUOSDILCY-CBBWQLFWSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446185 388208010 /nfs/dbraw/zinc/20/80/10/388208010.db2.gz ONUBDSUOSDILCY-QPSCCSFWSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446186 388207926 /nfs/dbraw/zinc/20/79/26/388207926.db2.gz ONUBDSUOSDILCY-ZQDZILKHSA-N 1 0 248.414 3.873 20 30 BHEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446190 388207492 /nfs/dbraw/zinc/20/74/92/388207492.db2.gz OPVNXGIGXVRANK-FXUDXRNXSA-N 1 0 246.398 3.651 20 30 BHEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446191 388207993 /nfs/dbraw/zinc/20/79/93/388207993.db2.gz OPVNXGIGXVRANK-UGUYLWEFSA-N 1 0 246.398 3.651 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446192 388207680 /nfs/dbraw/zinc/20/76/80/388207680.db2.gz OPVNXGIGXVRANK-VGWMRTNUSA-N 1 0 246.398 3.651 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446193 384552118 /nfs/dbraw/zinc/55/21/18/384552118.db2.gz OPVNXGIGXVRANK-YHUYYLMFSA-N 1 0 246.398 3.651 20 30 BHEDRO CCC1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449446344 388208779 /nfs/dbraw/zinc/20/87/79/388208779.db2.gz PJZZRVBUIWZTCS-SHWKFHJASA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449446667 388208672 /nfs/dbraw/zinc/20/86/72/388208672.db2.gz SWPFEWVKILYMJM-FZKCQIBNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449446668 388208489 /nfs/dbraw/zinc/20/84/89/388208489.db2.gz SWPFEWVKILYMJM-JJXSEGSLSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449446669 388208412 /nfs/dbraw/zinc/20/84/12/388208412.db2.gz SWPFEWVKILYMJM-JONQDZQNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449446670 388208719 /nfs/dbraw/zinc/20/87/19/388208719.db2.gz SWPFEWVKILYMJM-VGWMRTNUSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446691 384547979 /nfs/dbraw/zinc/54/79/79/384547979.db2.gz TXGOFMYOAQPOSN-IHRRRGAJSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446692 384547033 /nfs/dbraw/zinc/54/70/33/384547033.db2.gz TXGOFMYOAQPOSN-RDBSUJKOSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446786 388208594 /nfs/dbraw/zinc/20/85/94/388208594.db2.gz UDEOZZPWDMIZBA-AJNGGQMLSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446787 388208259 /nfs/dbraw/zinc/20/82/59/388208259.db2.gz UDEOZZPWDMIZBA-BARDWOONSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446788 388208551 /nfs/dbraw/zinc/20/85/51/388208551.db2.gz UDEOZZPWDMIZBA-QPSCCSFWSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446789 384561234 /nfs/dbraw/zinc/56/12/34/384561234.db2.gz UDEOZZPWDMIZBA-XQLPTFJDSA-N 1 0 236.403 3.873 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447011 388208592 /nfs/dbraw/zinc/20/85/92/388208592.db2.gz VSFLOYXQXKBUST-IHRRRGAJSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447012 388208456 /nfs/dbraw/zinc/20/84/56/388208456.db2.gz VSFLOYXQXKBUST-MELADBBJSA-N 1 0 234.387 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000449447054 388208884 /nfs/dbraw/zinc/20/88/84/388208884.db2.gz WKPWKEQCGPTTON-KKUMJFAQSA-N 1 0 246.398 3.771 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000449447055 388208445 /nfs/dbraw/zinc/20/84/45/388208445.db2.gz WKPWKEQCGPTTON-SOUVJXGZSA-N 1 0 246.398 3.771 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCCC[C@H]1C ZINC000449447111 384558242 /nfs/dbraw/zinc/55/82/42/384558242.db2.gz XAJLJLWLMBEVGN-OLMNGRFOSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCCC[C@H]1C ZINC000449447113 200680817 /nfs/dbraw/zinc/68/08/17/200680817.db2.gz XAJLJLWLMBEVGN-OWYFMNJBSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCCC[C@H]1C ZINC000449447115 384558550 /nfs/dbraw/zinc/55/85/50/384558550.db2.gz XAJLJLWLMBEVGN-RBGFHDKUSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCCC[C@H]1C ZINC000449447116 384558442 /nfs/dbraw/zinc/55/84/42/384558442.db2.gz XAJLJLWLMBEVGN-YXMSTPNBSA-N 1 0 248.414 3.873 20 30 BHEDRO CCCC[C@@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447188 201928146 /nfs/dbraw/zinc/92/81/46/201928146.db2.gz WQSKURWTXCMHBT-MJBXVCDLSA-N 1 0 222.376 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000449447392 388208513 /nfs/dbraw/zinc/20/85/13/388208513.db2.gz YLDXQLXEUKQKOZ-GJZGRUSLSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)C1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449447462 384558075 /nfs/dbraw/zinc/55/80/75/384558075.db2.gz YRJQCMRROKWPEC-LBDPXKHJSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447472 388208836 /nfs/dbraw/zinc/20/88/36/388208836.db2.gz YWZYQOIHFJGKPR-ILXRZTDVSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447473 201927835 /nfs/dbraw/zinc/92/78/35/201927835.db2.gz YWZYQOIHFJGKPR-KKUMJFAQSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447531 388208740 /nfs/dbraw/zinc/20/87/40/388208740.db2.gz ZQQKYCSYEYTCGI-AJNGGQMLSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447532 388208267 /nfs/dbraw/zinc/20/82/67/388208267.db2.gz ZQQKYCSYEYTCGI-BARDWOONSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447533 388208402 /nfs/dbraw/zinc/20/84/02/388208402.db2.gz ZQQKYCSYEYTCGI-QPSCCSFWSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447534 388208800 /nfs/dbraw/zinc/20/88/00/388208800.db2.gz ZQQKYCSYEYTCGI-XQLPTFJDSA-N 1 0 234.387 3.627 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccccc1OCC1CC1 ZINC000449470480 388212578 /nfs/dbraw/zinc/21/25/78/388212578.db2.gz ARTROKCHYYBEOY-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=C(C)CC[NH2+]CCCCCOc1ccccc1 ZINC000449470887 384896248 /nfs/dbraw/zinc/89/62/48/384896248.db2.gz BMHYOTADFJNKPN-UHFFFAOYSA-N 1 0 247.382 3.792 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000449470950 200684671 /nfs/dbraw/zinc/68/46/71/200684671.db2.gz BTNZGCKPUPVDSE-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=C(C)CC[NH2+]C/C(C)=C\c1ccccc1 ZINC000449471394 388213086 /nfs/dbraw/zinc/21/30/86/388213086.db2.gz COXLOFBVDLYWOE-KAMYIIQDSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(C)CC[NH2+]C/C(C)=C/c1ccccc1 ZINC000449471395 388212670 /nfs/dbraw/zinc/21/26/70/388212670.db2.gz COXLOFBVDLYWOE-SDNWHVSQSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(C)CC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000449472839 388213898 /nfs/dbraw/zinc/21/38/98/388213898.db2.gz GHWXTVDERAAZFD-ARJAWSKDSA-N 1 0 237.293 3.534 20 30 BHEDRO C=C(C)CC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000449472840 388213430 /nfs/dbraw/zinc/21/34/30/388213430.db2.gz GHWXTVDERAAZFD-ONEGZZNKSA-N 1 0 237.293 3.534 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000449473319 259349233 /nfs/dbraw/zinc/34/92/33/259349233.db2.gz HQPWUIDYJVELFJ-HNNXBMFYSA-N 1 0 247.407 3.573 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000449473320 259349226 /nfs/dbraw/zinc/34/92/26/259349226.db2.gz HQPWUIDYJVELFJ-OAHLLOKOSA-N 1 0 247.407 3.573 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000449473340 388213718 /nfs/dbraw/zinc/21/37/18/388213718.db2.gz HSWMJEYSBKEWCS-UHFFFAOYSA-N 1 0 240.350 3.599 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000449473618 388213696 /nfs/dbraw/zinc/21/36/96/388213696.db2.gz RCEITLJWWQAZES-IHRRRGAJSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000449473619 388213303 /nfs/dbraw/zinc/21/33/03/388213303.db2.gz RCEITLJWWQAZES-MCIONIFRSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000449473620 201934857 /nfs/dbraw/zinc/93/48/57/201934857.db2.gz RCEITLJWWQAZES-MJBXVCDLSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000449473621 201934526 /nfs/dbraw/zinc/93/45/26/201934526.db2.gz RCEITLJWWQAZES-RDBSUJKOSA-N 1 0 236.403 3.873 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(SC)s1 ZINC000449474777 388213653 /nfs/dbraw/zinc/21/36/53/388213653.db2.gz KCPSYKDUHNZAMF-UHFFFAOYSA-N 1 0 227.398 3.526 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000449474781 388213921 /nfs/dbraw/zinc/21/39/21/388213921.db2.gz KDCGCJRFLDWSST-KBPBESRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000449474782 388213100 /nfs/dbraw/zinc/21/31/00/388213100.db2.gz KDCGCJRFLDWSST-KGLIPLIRSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000449474783 388213059 /nfs/dbraw/zinc/21/30/59/388213059.db2.gz KDCGCJRFLDWSST-UONOGXRCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000449474784 201935150 /nfs/dbraw/zinc/93/51/50/201935150.db2.gz KDCGCJRFLDWSST-ZIAGYGMSSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)cs1 ZINC000449475047 388213268 /nfs/dbraw/zinc/21/32/68/388213268.db2.gz DXSSGTWAKUJQFL-NEPJUHHUSA-N 1 0 223.385 3.747 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)cs1 ZINC000449475051 201934064 /nfs/dbraw/zinc/93/40/64/201934064.db2.gz DXSSGTWAKUJQFL-NWDGAFQWSA-N 1 0 223.385 3.747 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)cs1 ZINC000449475052 388213794 /nfs/dbraw/zinc/21/37/94/388213794.db2.gz DXSSGTWAKUJQFL-RYUDHWBXSA-N 1 0 223.385 3.747 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)cs1 ZINC000449475054 201936234 /nfs/dbraw/zinc/93/62/34/201936234.db2.gz DXSSGTWAKUJQFL-VXGBXAGGSA-N 1 0 223.385 3.747 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000449475166 201937631 /nfs/dbraw/zinc/93/76/31/201937631.db2.gz KRRXJWIDFVZYCT-GDBMZVCRSA-N 1 0 244.382 3.664 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000449475167 388213859 /nfs/dbraw/zinc/21/38/59/388213859.db2.gz KRRXJWIDFVZYCT-GOEBONIOSA-N 1 0 244.382 3.664 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000449475168 388213979 /nfs/dbraw/zinc/21/39/79/388213979.db2.gz KRRXJWIDFVZYCT-HOCLYGCPSA-N 1 0 244.382 3.664 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000449475169 388213598 /nfs/dbraw/zinc/21/35/98/388213598.db2.gz KRRXJWIDFVZYCT-ZBFHGGJFSA-N 1 0 244.382 3.664 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)CCc1ccccc1F ZINC000449475575 388213593 /nfs/dbraw/zinc/21/35/93/388213593.db2.gz LNYZMEYGRAUWAS-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)CCc1ccccc1F ZINC000449475576 388213550 /nfs/dbraw/zinc/21/35/50/388213550.db2.gz LNYZMEYGRAUWAS-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO C=C(C)CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000449475595 384928595 /nfs/dbraw/zinc/92/85/95/384928595.db2.gz LRSWGRVDJCWNKB-UHFFFAOYSA-N 1 0 249.320 3.911 20 30 BHEDRO C=C(C)CC[NH2+]CC1(CCOC)CCCCC1 ZINC000449475909 388214677 /nfs/dbraw/zinc/21/46/77/388214677.db2.gz LWWKDLZDJZPEED-UHFFFAOYSA-N 1 0 239.403 3.529 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000449475937 201936627 /nfs/dbraw/zinc/93/66/27/201936627.db2.gz MAGFUBISQPSGNJ-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000449475939 201936663 /nfs/dbraw/zinc/93/66/63/201936663.db2.gz MAGFUBISQPSGNJ-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)CCc1ccsc1 ZINC000449476367 388214376 /nfs/dbraw/zinc/21/43/76/388214376.db2.gz MNJZNPDNDGANEJ-GFCCVEGCSA-N 1 0 223.385 3.625 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)CCc1ccsc1 ZINC000449476369 201936416 /nfs/dbraw/zinc/93/64/16/201936416.db2.gz MNJZNPDNDGANEJ-LBPRGKRZSA-N 1 0 223.385 3.625 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)Cc1ccccc1SC ZINC000449476882 201936320 /nfs/dbraw/zinc/93/63/20/201936320.db2.gz NVOHPAOVZCSSFT-CYBMUJFWSA-N 1 0 249.423 3.895 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)Cc1ccccc1SC ZINC000449476883 201937167 /nfs/dbraw/zinc/93/71/67/201937167.db2.gz NVOHPAOVZCSSFT-ZDUSSCGKSA-N 1 0 249.423 3.895 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000449476916 201937496 /nfs/dbraw/zinc/93/74/96/201937496.db2.gz OAEWWZVYIQQTHO-UHFFFAOYSA-N 1 0 242.366 3.841 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000449477479 384939176 /nfs/dbraw/zinc/93/91/76/384939176.db2.gz OXUXWBBWNZEQOS-CWRNSKLLSA-N 1 0 229.367 3.734 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000449477480 384942872 /nfs/dbraw/zinc/94/28/72/384942872.db2.gz OXUXWBBWNZEQOS-FVQBIDKESA-N 1 0 229.367 3.734 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000449477481 384940571 /nfs/dbraw/zinc/94/05/71/384940571.db2.gz OXUXWBBWNZEQOS-NUEKZKHPSA-N 1 0 229.367 3.734 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000449477482 384939490 /nfs/dbraw/zinc/93/94/90/384939490.db2.gz OXUXWBBWNZEQOS-VNQPRFMTSA-N 1 0 229.367 3.734 20 30 BHEDRO C=C(C)CC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449477539 384941731 /nfs/dbraw/zinc/94/17/31/384941731.db2.gz PJEGJQQGXAOYMN-LLVKDONJSA-N 1 0 239.309 3.624 20 30 BHEDRO C=C(C)CC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449477540 384941804 /nfs/dbraw/zinc/94/18/04/384941804.db2.gz PJEGJQQGXAOYMN-NSHDSACASA-N 1 0 239.309 3.624 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000449477783 201936401 /nfs/dbraw/zinc/93/64/01/201936401.db2.gz PRORCQRKGPACHV-UHFFFAOYSA-N 1 0 246.379 3.661 20 30 BHEDRO C=C(C)CC[NH2+]CCc1ccc(F)cc1Cl ZINC000449477796 201936547 /nfs/dbraw/zinc/93/65/47/201936547.db2.gz PTYXTWXLJJIYRE-UHFFFAOYSA-N 1 0 241.737 3.577 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cscc1C(F)(F)F ZINC000449478610 384959631 /nfs/dbraw/zinc/95/96/31/384959631.db2.gz RYDPBFZYTBWAIP-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000449478944 388214342 /nfs/dbraw/zinc/21/43/42/388214342.db2.gz SZYWMUPBZFYDBA-UHFFFAOYSA-N 1 0 233.286 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000449479123 388214387 /nfs/dbraw/zinc/21/43/87/388214387.db2.gz UHXYTZFGGFUBDT-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000449479124 388214449 /nfs/dbraw/zinc/21/44/49/388214449.db2.gz UHXYTZFGGFUBDT-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449479197 388215298 /nfs/dbraw/zinc/21/52/98/388215298.db2.gz UXFZJZHCNADOGM-CYBMUJFWSA-N 1 0 243.350 3.920 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449479419 219844258 /nfs/dbraw/zinc/84/42/58/219844258.db2.gz UXFZJZHCNADOGM-ZDUSSCGKSA-N 1 0 243.350 3.920 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000449479455 388215451 /nfs/dbraw/zinc/21/54/51/388215451.db2.gz VAMWJUOYCJIIKM-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000449479497 384965365 /nfs/dbraw/zinc/96/53/65/384965365.db2.gz VFBGWEXLHNRISB-CVEARBPZSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000449479498 384966628 /nfs/dbraw/zinc/96/66/28/384966628.db2.gz VFBGWEXLHNRISB-HOTGVXAUSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000449479499 384966543 /nfs/dbraw/zinc/96/65/43/384966543.db2.gz VFBGWEXLHNRISB-HZPDHXFCSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000449479500 219844295 /nfs/dbraw/zinc/84/42/95/219844295.db2.gz VFBGWEXLHNRISB-JKSUJKDBSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)CC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000449479787 388215530 /nfs/dbraw/zinc/21/55/30/388215530.db2.gz WEIUOOSWCZDBNO-ARJAWSKDSA-N 1 0 237.293 3.534 20 30 BHEDRO C=C(C)CC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000449479788 388215376 /nfs/dbraw/zinc/21/53/76/388215376.db2.gz WEIUOOSWCZDBNO-ONEGZZNKSA-N 1 0 237.293 3.534 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000449480411 388215407 /nfs/dbraw/zinc/21/54/07/388215407.db2.gz YKHXOBQKVMHINH-UHFFFAOYSA-N 1 0 242.366 3.841 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000449480607 388215599 /nfs/dbraw/zinc/21/55/99/388215599.db2.gz ZHCHLMVBLXALCW-LLVKDONJSA-N 1 0 231.330 3.756 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000449480608 388215420 /nfs/dbraw/zinc/21/54/20/388215420.db2.gz ZHCHLMVBLXALCW-NSHDSACASA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC(C)(C)C[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000449483448 385181063 /nfs/dbraw/zinc/18/10/63/385181063.db2.gz AQUOLWDOHSLMFJ-CYBMUJFWSA-N 1 0 247.382 3.601 20 30 BHEDRO C=CC(C)(C)C[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000449483449 385181245 /nfs/dbraw/zinc/18/12/45/385181245.db2.gz AQUOLWDOHSLMFJ-ZDUSSCGKSA-N 1 0 247.382 3.601 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000449483609 388216390 /nfs/dbraw/zinc/21/63/90/388216390.db2.gz BHXGFYOROLZLRP-UHFFFAOYSA-N 1 0 246.329 3.609 20 30 BHEDRO CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)C1CCC1 ZINC000449483661 388215959 /nfs/dbraw/zinc/21/59/59/388215959.db2.gz BVPIZQAUUQYNFO-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000449483849 385183059 /nfs/dbraw/zinc/18/30/59/385183059.db2.gz CSQWMXXOFUTJTA-HNNXBMFYSA-N 1 0 244.382 3.735 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000449483850 385182657 /nfs/dbraw/zinc/18/26/57/385182657.db2.gz CSQWMXXOFUTJTA-OAHLLOKOSA-N 1 0 244.382 3.735 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000449483904 201939573 /nfs/dbraw/zinc/93/95/73/201939573.db2.gz DHPZHNSYOBDWIE-SECBINFHSA-N 1 0 223.282 3.519 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000449483905 388216475 /nfs/dbraw/zinc/21/64/75/388216475.db2.gz DHPZHNSYOBDWIE-VIFPVBQESA-N 1 0 223.282 3.519 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000449483994 385182826 /nfs/dbraw/zinc/18/28/26/385182826.db2.gz DRQARUCVPFVURY-CABCVRRESA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000449483995 385184659 /nfs/dbraw/zinc/18/46/59/385184659.db2.gz DRQARUCVPFVURY-GJZGRUSLSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000449483996 385183886 /nfs/dbraw/zinc/18/38/86/385183886.db2.gz DRQARUCVPFVURY-HUUCEWRRSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000449483997 385182391 /nfs/dbraw/zinc/18/23/91/385182391.db2.gz DRQARUCVPFVURY-LSDHHAIUSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CC(C)(C)C[NH2+]CCCCOc1ccccc1 ZINC000449484019 388216015 /nfs/dbraw/zinc/21/60/15/388216015.db2.gz DURMWAYEDUWWRK-UHFFFAOYSA-N 1 0 247.382 3.647 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cccc2ccoc21 ZINC000449484458 388216446 /nfs/dbraw/zinc/21/64/46/388216446.db2.gz HHWFAIZZGFEYAB-UHFFFAOYSA-N 1 0 229.323 3.735 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ccc2occc2c1 ZINC000449484826 385190251 /nfs/dbraw/zinc/19/02/51/385190251.db2.gz JMHGPNYUYVZHGD-UHFFFAOYSA-N 1 0 229.323 3.735 20 30 BHEDRO C=CC(C)(C)C[NH2+]C/C=C/c1ccccc1OC ZINC000449484827 385189081 /nfs/dbraw/zinc/18/90/81/385189081.db2.gz JMQURYDJWKOKIY-CSKARUKUSA-N 1 0 245.366 3.510 20 30 BHEDRO C=CC(C)(C)C[NH2+]C/C=C\c1ccccc1OC ZINC000449484828 200686893 /nfs/dbraw/zinc/68/68/93/200686893.db2.gz JMQURYDJWKOKIY-NTMALXAHSA-N 1 0 245.366 3.510 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ccc(SC)s1 ZINC000449485352 388215932 /nfs/dbraw/zinc/21/59/32/388215932.db2.gz MDUTWKGVSFBTGU-UHFFFAOYSA-N 1 0 241.425 3.772 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cnc(C(C)C)s1 ZINC000449485418 388216080 /nfs/dbraw/zinc/21/60/80/388216080.db2.gz MNUUVVXQYGRDLD-UHFFFAOYSA-N 1 0 238.400 3.568 20 30 BHEDRO C=CC(C)(C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000449486097 388216939 /nfs/dbraw/zinc/21/69/39/388216939.db2.gz QFUBNHNTTHKHQR-UHFFFAOYSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000449486113 388217111 /nfs/dbraw/zinc/21/71/11/388217111.db2.gz QIEGGRCSVOPAAA-UHFFFAOYSA-N 1 0 246.329 3.609 20 30 BHEDRO C=CC(C)(C)C[NH2+]C1CCC2(CC2)CC1 ZINC000449486425 388216864 /nfs/dbraw/zinc/21/68/64/388216864.db2.gz SFJDFZLYLMDIAV-UHFFFAOYSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)CCc1ccsc1 ZINC000449486907 388216735 /nfs/dbraw/zinc/21/67/35/388216735.db2.gz VWVWOXATUGPABA-GFCCVEGCSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000449486908 388217227 /nfs/dbraw/zinc/21/72/27/388217227.db2.gz VWVWOXATUGPABA-LBPRGKRZSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1ncc(C(C)C)s1 ZINC000449486927 388216856 /nfs/dbraw/zinc/21/68/56/388216856.db2.gz WBHPDUFUNQQEMK-UHFFFAOYSA-N 1 0 238.400 3.568 20 30 BHEDRO C=CC(C)(C)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000449487493 388216781 /nfs/dbraw/zinc/21/67/81/388216781.db2.gz YPYDVZBKEZIPIG-AATRIKPKSA-N 1 0 233.330 3.641 20 30 BHEDRO C=CC(C)(C)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000449487494 388216971 /nfs/dbraw/zinc/21/69/71/388216971.db2.gz YPYDVZBKEZIPIG-WAYWQWQTSA-N 1 0 233.330 3.641 20 30 BHEDRO C=CC(C)(C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000449487614 388217247 /nfs/dbraw/zinc/21/72/47/388217247.db2.gz ZOBNXWBTLQVHHW-CABCVRRESA-N 1 0 229.367 3.592 20 30 BHEDRO C=CC(C)(C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000449487615 388217107 /nfs/dbraw/zinc/21/71/07/388217107.db2.gz ZOBNXWBTLQVHHW-HUUCEWRRSA-N 1 0 229.367 3.592 20 30 BHEDRO C=CC(C)(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000449487616 388216704 /nfs/dbraw/zinc/21/67/04/388216704.db2.gz ZOBNXWBTLQVHHW-LSDHHAIUSA-N 1 0 229.367 3.592 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCc1ncccc1C ZINC000449489465 201940827 /nfs/dbraw/zinc/94/08/27/201940827.db2.gz SHNVHSXOJDHZMK-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCc1ncccc1C ZINC000449489466 388217474 /nfs/dbraw/zinc/21/74/74/388217474.db2.gz SHNVHSXOJDHZMK-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000449493041 383846633 /nfs/dbraw/zinc/84/66/33/383846633.db2.gz KMLWARIMXOFMEG-QJPTWQEYSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000449493042 383846044 /nfs/dbraw/zinc/84/60/44/383846044.db2.gz KMLWARIMXOFMEG-SDDRHHMPSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449493043 383845944 /nfs/dbraw/zinc/84/59/44/383845944.db2.gz KMLWARIMXOFMEG-SRVKXCTJSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449493044 205485427 /nfs/dbraw/zinc/48/54/27/205485427.db2.gz KMLWARIMXOFMEG-TUAOUCFPSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCC1(F)F ZINC000449496399 383892295 /nfs/dbraw/zinc/89/22/95/383892295.db2.gz PZIGAPADXOGTPD-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449496400 383891545 /nfs/dbraw/zinc/89/15/45/383891545.db2.gz PZIGAPADXOGTPD-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449496401 383891561 /nfs/dbraw/zinc/89/15/61/383891561.db2.gz PZIGAPADXOGTPD-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCC1(F)F ZINC000449496402 383891912 /nfs/dbraw/zinc/89/19/12/383891912.db2.gz PZIGAPADXOGTPD-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1ncccc1C ZINC000449499084 383931504 /nfs/dbraw/zinc/93/15/04/383931504.db2.gz SVKMEDTWDLBYBY-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ncccc1C ZINC000449499085 383932496 /nfs/dbraw/zinc/93/24/96/383932496.db2.gz SVKMEDTWDLBYBY-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO Cc1cc(C[NH2+]C(C)(C)C2CCC2)ccc1C#N ZINC000449520106 388751292 /nfs/dbraw/zinc/75/12/92/388751292.db2.gz OEHBFAOHYJYPOK-UHFFFAOYSA-N 1 0 242.366 3.535 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnccc1C ZINC000449525234 388224141 /nfs/dbraw/zinc/22/41/41/388224141.db2.gz QWLSZTOBYDZPFQ-HNNXBMFYSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnccc1C ZINC000449525235 388224023 /nfs/dbraw/zinc/22/40/23/388224023.db2.gz QWLSZTOBYDZPFQ-OAHLLOKOSA-N 1 0 232.371 3.615 20 30 BHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCC(C)(C)C ZINC000449548600 201961466 /nfs/dbraw/zinc/96/14/66/201961466.db2.gz OWZZKOXMTGTXGB-MCIONIFRSA-N 1 0 239.403 3.524 20 30 BHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCC(C)(C)C ZINC000449548601 201962319 /nfs/dbraw/zinc/96/23/19/201962319.db2.gz OWZZKOXMTGTXGB-MJBXVCDLSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1nccn1CC ZINC000449563559 384537075 /nfs/dbraw/zinc/53/70/75/384537075.db2.gz WJXWDLBYYXFKLC-KBPBESRZSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1nccn1CC ZINC000449563560 384537526 /nfs/dbraw/zinc/53/75/26/384537526.db2.gz WJXWDLBYYXFKLC-KGLIPLIRSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1nccn1CC ZINC000449563561 384535075 /nfs/dbraw/zinc/53/50/75/384535075.db2.gz WJXWDLBYYXFKLC-UONOGXRCSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1nccn1CC ZINC000449563562 384537288 /nfs/dbraw/zinc/53/72/88/384537288.db2.gz WJXWDLBYYXFKLC-ZIAGYGMSSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nccn1CC ZINC000449565725 388234200 /nfs/dbraw/zinc/23/42/00/388234200.db2.gz KJTYFAKXMHCOBO-KBPBESRZSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nccn1CC ZINC000449565726 388233919 /nfs/dbraw/zinc/23/39/19/388233919.db2.gz KJTYFAKXMHCOBO-KGLIPLIRSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1nccn1CC ZINC000449565727 384543462 /nfs/dbraw/zinc/54/34/62/384543462.db2.gz KJTYFAKXMHCOBO-UONOGXRCSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1nccn1CC ZINC000449565728 384543266 /nfs/dbraw/zinc/54/32/66/384543266.db2.gz KJTYFAKXMHCOBO-ZIAGYGMSSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449568708 388234982 /nfs/dbraw/zinc/23/49/82/388234982.db2.gz CPZGWJSSUGPRDV-BFHYXJOUSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449568709 388235016 /nfs/dbraw/zinc/23/50/16/388235016.db2.gz CPZGWJSSUGPRDV-IHRRRGAJSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449568710 388235134 /nfs/dbraw/zinc/23/51/34/388235134.db2.gz CPZGWJSSUGPRDV-MELADBBJSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449568711 388234739 /nfs/dbraw/zinc/23/47/39/388234739.db2.gz CPZGWJSSUGPRDV-MJBXVCDLSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(C#N)o2)CCCCC1 ZINC000449570265 388235604 /nfs/dbraw/zinc/23/56/04/388235604.db2.gz AJFMQMJBAIVZCE-UHFFFAOYSA-N 1 0 244.338 3.520 20 30 BHEDRO C=CCC1([NH2+]Cc2cncc(F)c2)CCCCC1 ZINC000449571206 388236124 /nfs/dbraw/zinc/23/61/24/388236124.db2.gz FBFSMCXJILBGIU-UHFFFAOYSA-N 1 0 248.345 3.589 20 30 BHEDRO C=CCC1([NH2+]Cc2ccncc2F)CCCCC1 ZINC000449571242 398338436 /nfs/dbraw/zinc/33/84/36/398338436.db2.gz FIJJEGZWIFICIC-UHFFFAOYSA-N 1 0 248.345 3.589 20 30 BHEDRO C=CCC1([NH2+]Cc2cnccc2C)CCCCC1 ZINC000449571459 201973659 /nfs/dbraw/zinc/97/36/59/201973659.db2.gz GCUNJFRGYFTEGM-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449573664 388236237 /nfs/dbraw/zinc/23/62/37/388236237.db2.gz ROIULVKWVCFYLF-HZSPNIEDSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449573665 384567109 /nfs/dbraw/zinc/56/71/09/384567109.db2.gz ROIULVKWVCFYLF-IHRRRGAJSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449573666 384567517 /nfs/dbraw/zinc/56/75/17/384567517.db2.gz ROIULVKWVCFYLF-MELADBBJSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449573667 384566495 /nfs/dbraw/zinc/56/64/95/384566495.db2.gz ROIULVKWVCFYLF-RDBSUJKOSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CCC1([NH2+]Cc2cscn2)CCCCC1 ZINC000449575567 388236695 /nfs/dbraw/zinc/23/66/95/388236695.db2.gz MYRCEEKJBSJRCW-UHFFFAOYSA-N 1 0 236.384 3.512 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(C)cn2)CCCCC1 ZINC000449575831 388236904 /nfs/dbraw/zinc/23/69/04/388236904.db2.gz OJTYZBMNTBZCHW-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=CCC1([NH2+]Cc2cncs2)CCCCC1 ZINC000449576469 388233948 /nfs/dbraw/zinc/23/39/48/388233948.db2.gz UDBMIZOWUJOFMH-UHFFFAOYSA-N 1 0 236.384 3.512 20 30 BHEDRO C=CCC1([NH2+]Cc2cccc(O)c2)CCCCC1 ZINC000449576584 388237184 /nfs/dbraw/zinc/23/71/84/388237184.db2.gz UGMMMFWQFFGOEK-UHFFFAOYSA-N 1 0 245.366 3.761 20 30 BHEDRO C=CCC1([NH2+]C[C@H]2CCSC2)CCCCC1 ZINC000449576752 388236604 /nfs/dbraw/zinc/23/66/04/388236604.db2.gz UWZNBVUJZAJFRW-CYBMUJFWSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCC1([NH2+]C[C@@H]2CCSC2)CCCCC1 ZINC000449576759 388237097 /nfs/dbraw/zinc/23/70/97/388237097.db2.gz UWZNBVUJZAJFRW-ZDUSSCGKSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(C)nc2)CCCCC1 ZINC000449576996 388236540 /nfs/dbraw/zinc/23/65/40/388236540.db2.gz VHZAPWABHDPLEY-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=CCC1([NH2+]Cc2cccnc2C)CCCCC1 ZINC000449578093 388236564 /nfs/dbraw/zinc/23/65/64/388236564.db2.gz ZFDRIUQRGWMRBU-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=CCC1(C[NH2+]C2CCSCC2)CCCC1 ZINC000449602105 201982223 /nfs/dbraw/zinc/98/22/23/201982223.db2.gz BWXTYKAZRDTZQU-UHFFFAOYSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCC1(C[NH2+]Cc2cccnc2C)CCCC1 ZINC000449602732 201982020 /nfs/dbraw/zinc/98/20/20/201982020.db2.gz DNJUQBQIVSOPQA-UHFFFAOYSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000449603314 388240103 /nfs/dbraw/zinc/24/01/03/388240103.db2.gz GCXZGJDDJVKSQU-CABCVRRESA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000449603317 201981750 /nfs/dbraw/zinc/98/17/50/201981750.db2.gz GCXZGJDDJVKSQU-GJZGRUSLSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000449603319 388239964 /nfs/dbraw/zinc/23/99/64/388239964.db2.gz GCXZGJDDJVKSQU-HUUCEWRRSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000449603320 388240048 /nfs/dbraw/zinc/24/00/48/388240048.db2.gz GCXZGJDDJVKSQU-LSDHHAIUSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)COC(C)C)CCCC1 ZINC000449603542 388240517 /nfs/dbraw/zinc/24/05/17/388240517.db2.gz GWSLKGACVQTRGK-AWEZNQCLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)COC(C)C)CCCC1 ZINC000449603543 388240904 /nfs/dbraw/zinc/24/09/04/388240904.db2.gz GWSLKGACVQTRGK-CQSZACIVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC1(C[NH2+]Cc2cnccc2C)CCCC1 ZINC000449605153 201982432 /nfs/dbraw/zinc/98/24/32/201982432.db2.gz MEYGQDISYVDMRP-UHFFFAOYSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCC1(C[NH2+]CC2(SC)CC2)CCCC1 ZINC000449605203 323000674 /nfs/dbraw/zinc/00/06/74/323000674.db2.gz MPBASTHGMDKNDQ-UHFFFAOYSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)c2ccccn2)CCCC1 ZINC000449606234 323000667 /nfs/dbraw/zinc/00/06/67/323000667.db2.gz PYSFOKMJALZPQS-AWEZNQCLSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)c2ccccn2)CCCC1 ZINC000449606235 323000732 /nfs/dbraw/zinc/00/07/32/323000732.db2.gz PYSFOKMJALZPQS-CQSZACIVSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCC1(C[NH2+]Cc2ccc(C)cn2)CCCC1 ZINC000449606427 384698467 /nfs/dbraw/zinc/69/84/67/384698467.db2.gz QRKBDQOQKQFHGR-UHFFFAOYSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCC1(C[NH2+]Cc2ccco2)CCCC1 ZINC000449606428 384698705 /nfs/dbraw/zinc/69/87/05/384698705.db2.gz QRQPSFNAXJDMRU-UHFFFAOYSA-N 1 0 219.328 3.506 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)C2CC2)CCCC1 ZINC000449606783 384701208 /nfs/dbraw/zinc/70/12/08/384701208.db2.gz RZUYZIBMJCNTLB-GFCCVEGCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)C2CC2)CCCC1 ZINC000449606788 384703111 /nfs/dbraw/zinc/70/31/11/384703111.db2.gz RZUYZIBMJCNTLB-LBPRGKRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC1(C[NH2+]Cc2c(C)noc2C)CCCC1 ZINC000449607211 388241546 /nfs/dbraw/zinc/24/15/46/388241546.db2.gz WTFVXHKOGGHMQD-UHFFFAOYSA-N 1 0 248.370 3.518 20 30 BHEDRO C=CCC1(C[NH2+]Cc2ccc(C)nc2)CCCC1 ZINC000449607504 398303818 /nfs/dbraw/zinc/30/38/18/398303818.db2.gz XTVRPMKAUYLUBD-UHFFFAOYSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000449633228 201992387 /nfs/dbraw/zinc/99/23/87/201992387.db2.gz TXPMZTOICMTYSR-AEGPPILISA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000449633229 388246546 /nfs/dbraw/zinc/24/65/46/388246546.db2.gz TXPMZTOICMTYSR-QEJZJMRPSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000449633230 388246266 /nfs/dbraw/zinc/24/62/66/388246266.db2.gz TXPMZTOICMTYSR-SNPRPXQTSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000449633231 201993646 /nfs/dbraw/zinc/99/36/46/201993646.db2.gz TXPMZTOICMTYSR-VHDGCEQUSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000449635085 388246877 /nfs/dbraw/zinc/24/68/77/388246877.db2.gz XGKCYSPNIUIZNW-GUTXKFCHSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000449635086 388246872 /nfs/dbraw/zinc/24/68/72/388246872.db2.gz XGKCYSPNIUIZNW-GZBFAFLISA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000449635087 201993067 /nfs/dbraw/zinc/99/30/67/201993067.db2.gz XGKCYSPNIUIZNW-KCQAQPDRSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000449635088 388245503 /nfs/dbraw/zinc/24/55/03/388245503.db2.gz XGKCYSPNIUIZNW-YDHLFZDLSA-N 1 0 239.403 3.524 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000449665022 201998042 /nfs/dbraw/zinc/99/80/42/201998042.db2.gz DAUKRFPTVILZGC-CFVMTHIKSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000449665023 201997354 /nfs/dbraw/zinc/99/73/54/201997354.db2.gz DAUKRFPTVILZGC-QEJZJMRPSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000449665024 219850563 /nfs/dbraw/zinc/85/05/63/219850563.db2.gz DAUKRFPTVILZGC-SNPRPXQTSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000449665025 384858960 /nfs/dbraw/zinc/85/89/60/384858960.db2.gz DAUKRFPTVILZGC-YUELXQCFSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCC[C@@H]1CCOC1 ZINC000449678736 202000603 /nfs/dbraw/zinc/00/06/03/202000603.db2.gz BSEDUNZZDDUFOM-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCC[C@H]1CCOC1 ZINC000449678737 388251515 /nfs/dbraw/zinc/25/15/15/388251515.db2.gz BSEDUNZZDDUFOM-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCC[C@@H]1CCOC1 ZINC000449678738 201999828 /nfs/dbraw/zinc/99/98/28/201999828.db2.gz BSEDUNZZDDUFOM-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCC[C@H]1CCOC1 ZINC000449678740 202000434 /nfs/dbraw/zinc/00/04/34/202000434.db2.gz BSEDUNZZDDUFOM-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000449688750 202002111 /nfs/dbraw/zinc/00/21/11/202002111.db2.gz HVXAHZDLLCDBEF-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000449688751 202002380 /nfs/dbraw/zinc/00/23/80/202002380.db2.gz HVXAHZDLLCDBEF-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000449688752 202002923 /nfs/dbraw/zinc/00/29/23/202002923.db2.gz HVXAHZDLLCDBEF-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000449688753 202003493 /nfs/dbraw/zinc/00/34/93/202003493.db2.gz HVXAHZDLLCDBEF-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449702195 202005049 /nfs/dbraw/zinc/00/50/49/202005049.db2.gz CWHLBBZXUDWYDT-CYBMUJFWSA-N 1 0 248.370 3.777 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449702196 202004678 /nfs/dbraw/zinc/00/46/78/202004678.db2.gz CWHLBBZXUDWYDT-ZDUSSCGKSA-N 1 0 248.370 3.777 20 30 BHEDRO Cc1cc(C[NH2+][C@H](C)C2CCCC2)ccc1C#N ZINC000449703204 202005319 /nfs/dbraw/zinc/00/53/19/202005319.db2.gz FVUQUTTXUQKNBB-CYBMUJFWSA-N 1 0 242.366 3.535 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708768 202007686 /nfs/dbraw/zinc/00/76/86/202007686.db2.gz WLFZUSXVQOJCGZ-GFCCVEGCSA-N 1 0 248.370 3.777 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708769 202007080 /nfs/dbraw/zinc/00/70/80/202007080.db2.gz WLFZUSXVQOJCGZ-LBPRGKRZSA-N 1 0 248.370 3.777 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC(C)(C)C(C)(C)O ZINC000449714867 385033723 /nfs/dbraw/zinc/03/37/23/385033723.db2.gz AIFIIQCCHQNVPL-CYBMUJFWSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC(C)(C)C(C)(C)O ZINC000449714868 385033813 /nfs/dbraw/zinc/03/38/13/385033813.db2.gz AIFIIQCCHQNVPL-ZDUSSCGKSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000449716897 202008910 /nfs/dbraw/zinc/00/89/10/202008910.db2.gz DFCCQVYBXCCWKF-CYBMUJFWSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000449716898 202009753 /nfs/dbraw/zinc/00/97/53/202009753.db2.gz DFCCQVYBXCCWKF-ZDUSSCGKSA-N 1 0 241.419 3.508 20 30 BHEDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000449725652 202008318 /nfs/dbraw/zinc/00/83/18/202008318.db2.gz VKHOXYZOAIYCBE-NWDGAFQWSA-N 1 0 248.395 3.630 20 30 BHEDRO C=C(CC)C[NH2+]C/C(C)=C/c1ccccc1 ZINC000449729600 202011579 /nfs/dbraw/zinc/01/15/79/202011579.db2.gz AVRBRSHZTONRLS-GXDHUFHOSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(CC)C[NH2+]C/C(C)=C\c1ccccc1 ZINC000449729603 202011469 /nfs/dbraw/zinc/01/14/69/202011469.db2.gz AVRBRSHZTONRLS-UVTDQMKNSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(CC)C[NH2+]CC1(CCOC)CCCCC1 ZINC000449732287 202011619 /nfs/dbraw/zinc/01/16/19/202011619.db2.gz BBKWMCHUMJSDPW-UHFFFAOYSA-N 1 0 239.403 3.529 20 30 BHEDRO C=C(CC)C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000449732532 202012033 /nfs/dbraw/zinc/01/20/33/202012033.db2.gz BNFMBSKZBBVTSG-UHFFFAOYSA-N 1 0 249.320 3.911 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnc(C)cc1C ZINC000449732644 202011850 /nfs/dbraw/zinc/01/18/50/202011850.db2.gz CHIVLNRGDSTSQK-INIZCTEOSA-N 1 0 246.398 3.923 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnc(C)cc1C ZINC000449732645 202012343 /nfs/dbraw/zinc/01/23/43/202012343.db2.gz CHIVLNRGDSTSQK-MRXNPFEDSA-N 1 0 246.398 3.923 20 30 BHEDRO C=C(CC)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000449732924 202010608 /nfs/dbraw/zinc/01/06/08/202010608.db2.gz FJPAJZTUQAKXDF-PLNGDYQASA-N 1 0 237.293 3.534 20 30 BHEDRO C=C(CC)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000449732925 202010668 /nfs/dbraw/zinc/01/06/68/202010668.db2.gz FJPAJZTUQAKXDF-SNAWJCMRSA-N 1 0 237.293 3.534 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)CCc1ccsc1 ZINC000449733085 202010734 /nfs/dbraw/zinc/01/07/34/202010734.db2.gz GDMGJWOSVQZRFG-GFCCVEGCSA-N 1 0 223.385 3.625 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000449733086 202010769 /nfs/dbraw/zinc/01/07/69/202010769.db2.gz GDMGJWOSVQZRFG-LBPRGKRZSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000449733119 202011203 /nfs/dbraw/zinc/01/12/03/202011203.db2.gz GJTCSTOXASTWGB-AWEZNQCLSA-N 1 0 246.398 3.923 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000449733120 202011877 /nfs/dbraw/zinc/01/18/77/202011877.db2.gz GJTCSTOXASTWGB-CQSZACIVSA-N 1 0 246.398 3.923 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000449733283 202012001 /nfs/dbraw/zinc/01/20/01/202012001.db2.gz HDECAVFHLQSIKZ-UHFFFAOYSA-N 1 0 246.379 3.661 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000449733339 202010918 /nfs/dbraw/zinc/01/09/18/202010918.db2.gz HRGBXUIXHLDRSW-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1cnc(C)cc1C ZINC000449733550 202010785 /nfs/dbraw/zinc/01/07/85/202010785.db2.gz ILGLIHSEQKFWAJ-HNNXBMFYSA-N 1 0 232.371 3.533 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnc(C)cc1C ZINC000449733551 202010737 /nfs/dbraw/zinc/01/07/37/202010737.db2.gz ILGLIHSEQKFWAJ-OAHLLOKOSA-N 1 0 232.371 3.533 20 30 BHEDRO C=C(CC)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000449733755 202011608 /nfs/dbraw/zinc/01/16/08/202011608.db2.gz JPOBVUWLTJRKOF-PLNGDYQASA-N 1 0 237.293 3.534 20 30 BHEDRO C=C(CC)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000449733756 202010584 /nfs/dbraw/zinc/01/05/84/202010584.db2.gz JPOBVUWLTJRKOF-SNAWJCMRSA-N 1 0 237.293 3.534 20 30 BHEDRO C=C(CC)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000449733893 202011787 /nfs/dbraw/zinc/01/17/87/202011787.db2.gz KWPQLIGGWRVEAB-UHFFFAOYSA-N 1 0 240.350 3.599 20 30 BHEDRO C=C(CC)C[NH2+]Cc1cscc1C(F)(F)F ZINC000449734320 202010172 /nfs/dbraw/zinc/01/01/72/202010172.db2.gz MGAHSDAQFOPEOK-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccc(SC)s1 ZINC000449734825 202011403 /nfs/dbraw/zinc/01/14/03/202011403.db2.gz OMIHSSLINJNLEE-UHFFFAOYSA-N 1 0 227.398 3.526 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000449735119 202012170 /nfs/dbraw/zinc/01/21/70/202012170.db2.gz PKCQMAIADFWBLT-LLVKDONJSA-N 1 0 231.330 3.756 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000449735120 202010488 /nfs/dbraw/zinc/01/04/88/202010488.db2.gz PKCQMAIADFWBLT-NSHDSACASA-N 1 0 231.330 3.756 20 30 BHEDRO C=C(CC)C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449735651 202013697 /nfs/dbraw/zinc/01/36/97/202013697.db2.gz RMMPTKYUWJDWJF-LLVKDONJSA-N 1 0 239.309 3.624 20 30 BHEDRO C=C(CC)C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449735652 202013203 /nfs/dbraw/zinc/01/32/03/202013203.db2.gz RMMPTKYUWJDWJF-NSHDSACASA-N 1 0 239.309 3.624 20 30 BHEDRO C=C(CC)C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000449735725 202014683 /nfs/dbraw/zinc/01/46/83/202014683.db2.gz UQMFCHHEFGMTCI-UHFFFAOYSA-N 1 0 233.286 3.628 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000449736284 202013883 /nfs/dbraw/zinc/01/38/83/202013883.db2.gz UXFIUINLIYPAJP-GDBMZVCRSA-N 1 0 244.382 3.664 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000449736285 202013722 /nfs/dbraw/zinc/01/37/22/202013722.db2.gz UXFIUINLIYPAJP-GOEBONIOSA-N 1 0 244.382 3.664 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000449736286 202014577 /nfs/dbraw/zinc/01/45/77/202014577.db2.gz UXFIUINLIYPAJP-HOCLYGCPSA-N 1 0 244.382 3.664 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000449736287 385094609 /nfs/dbraw/zinc/09/46/09/385094609.db2.gz UXFIUINLIYPAJP-ZBFHGGJFSA-N 1 0 244.382 3.664 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737941 202014904 /nfs/dbraw/zinc/01/49/04/202014904.db2.gz WFEKFNPIFXUSMY-AWEZNQCLSA-N 1 0 246.329 3.532 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737942 202013959 /nfs/dbraw/zinc/01/39/59/202013959.db2.gz WFEKFNPIFXUSMY-CQSZACIVSA-N 1 0 246.329 3.532 20 30 BHEDRO Cc1cc(C[NH2+][C@@H](C)C2CCCC2)ccc1C#N ZINC000449752473 202022929 /nfs/dbraw/zinc/02/29/29/202022929.db2.gz FVUQUTTXUQKNBB-ZDUSSCGKSA-N 1 0 242.366 3.535 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449757256 202024118 /nfs/dbraw/zinc/02/41/18/202024118.db2.gz CWYUQYALBNYVGB-BYNSBNAKSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449757257 202024180 /nfs/dbraw/zinc/02/41/80/202024180.db2.gz CWYUQYALBNYVGB-GBJTYRQASA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449757258 202024398 /nfs/dbraw/zinc/02/43/98/202024398.db2.gz CWYUQYALBNYVGB-KBUPBQIOSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449757259 202024351 /nfs/dbraw/zinc/02/43/51/202024351.db2.gz CWYUQYALBNYVGB-LXTVHRRPSA-N 1 0 239.403 3.524 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000449765656 202026131 /nfs/dbraw/zinc/02/61/31/202026131.db2.gz JVWLCVAUPMFVJU-DGADGQDISA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000449765657 202027192 /nfs/dbraw/zinc/02/71/92/202027192.db2.gz JVWLCVAUPMFVJU-LEOABGAYSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000449765658 202027718 /nfs/dbraw/zinc/02/77/18/202027718.db2.gz JVWLCVAUPMFVJU-OLMNGRFOSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000449765659 202027430 /nfs/dbraw/zinc/02/74/30/202027430.db2.gz JVWLCVAUPMFVJU-YXMSTPNBSA-N 1 0 248.414 3.873 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000449775602 202033448 /nfs/dbraw/zinc/03/34/48/202033448.db2.gz MQQHKMUCEXNJCI-DZKIICNBSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000449775603 202030776 /nfs/dbraw/zinc/03/07/76/202030776.db2.gz MQQHKMUCEXNJCI-LZWOXQAQSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000449775604 202032437 /nfs/dbraw/zinc/03/24/37/202032437.db2.gz MQQHKMUCEXNJCI-OFQRWUPVSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000449775605 202033403 /nfs/dbraw/zinc/03/34/03/202033403.db2.gz MQQHKMUCEXNJCI-SQWLQELKSA-N 1 0 242.366 3.728 20 30 BHEDRO CCC[N@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000450217242 202099676 /nfs/dbraw/zinc/09/96/76/202099676.db2.gz QSOGPZPRFGNYPN-UHFFFAOYSA-N 1 0 242.366 3.592 20 30 BHEDRO CCCC[NH+](CCCC)CC1(C#N)CCC1 ZINC000450221124 202101018 /nfs/dbraw/zinc/10/10/18/202101018.db2.gz OVEWMAOIDVTFAU-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO CC(C)[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000450241474 202107504 /nfs/dbraw/zinc/10/75/04/202107504.db2.gz JDWJTFSZDDVASL-HNNXBMFYSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000450241475 202105390 /nfs/dbraw/zinc/10/53/90/202105390.db2.gz JDWJTFSZDDVASL-OAHLLOKOSA-N 1 0 242.366 3.667 20 30 BHEDRO CC[N@H+](Cc1ccccc1C)CC1(C#N)CCC1 ZINC000450246190 202105992 /nfs/dbraw/zinc/10/59/92/202105992.db2.gz UAFHOTCLVZREPX-UHFFFAOYSA-N 1 0 242.366 3.511 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@H]1CCCCC1(F)F ZINC000450248992 202109998 /nfs/dbraw/zinc/10/99/98/202109998.db2.gz ZGJAKIWOIRAXGW-GFCCVEGCSA-N 1 0 231.330 3.710 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCCCC1(F)F ZINC000450248994 202108690 /nfs/dbraw/zinc/10/86/90/202108690.db2.gz ZGJAKIWOIRAXGW-LBPRGKRZSA-N 1 0 231.330 3.710 20 30 BHEDRO CC(C)[N@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000450257062 202111768 /nfs/dbraw/zinc/11/17/68/202111768.db2.gz JKSIKMHLTSKSJX-UHFFFAOYSA-N 1 0 242.366 3.591 20 30 BHEDRO CCCCC[N@H+](CC1(C#N)CCC1)C(C)C ZINC000450257858 202112158 /nfs/dbraw/zinc/11/21/58/202112158.db2.gz XXTFIVNBGBFZEO-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO Cc1ccc([C@H](C)[N@H+](C)CC2(C#N)CCC2)cc1 ZINC000450259820 202110367 /nfs/dbraw/zinc/11/03/67/202110367.db2.gz ACXIQDNQQGJODM-AWEZNQCLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccc([C@@H](C)[N@H+](C)CC2(C#N)CCC2)cc1 ZINC000450259821 202112017 /nfs/dbraw/zinc/11/20/17/202112017.db2.gz ACXIQDNQQGJODM-CQSZACIVSA-N 1 0 242.366 3.682 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@H]2C2CCCCC2)CCC1 ZINC000450269068 202114613 /nfs/dbraw/zinc/11/46/13/202114613.db2.gz HBKLDHIWURNIAQ-HNNXBMFYSA-N 1 0 246.398 3.725 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@@H]2C2CCCCC2)CCC1 ZINC000450269069 202113390 /nfs/dbraw/zinc/11/33/90/202113390.db2.gz HBKLDHIWURNIAQ-OAHLLOKOSA-N 1 0 246.398 3.725 20 30 BHEDRO CC1CCC([N@H+](CC2(C#N)CCC2)C2CC2)CC1 ZINC000450270804 202116547 /nfs/dbraw/zinc/11/65/47/202116547.db2.gz NWAPEFFXRMEXOP-UHFFFAOYSA-N 1 0 246.398 3.723 20 30 BHEDRO Cc1ccccc1[C@H](C)[N@H+](C)CC1(C#N)CCC1 ZINC000450286158 202119000 /nfs/dbraw/zinc/11/90/00/202119000.db2.gz NHPZOUVTKMHMBS-AWEZNQCLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@@H](C)[N@H+](C)CC1(C#N)CCC1 ZINC000450286160 202119354 /nfs/dbraw/zinc/11/93/54/202119354.db2.gz NHPZOUVTKMHMBS-CQSZACIVSA-N 1 0 242.366 3.682 20 30 BHEDRO CC(C)N(Cc1cccs1)CC1(C#N)CCC1 ZINC000450287858 202118696 /nfs/dbraw/zinc/11/86/96/202118696.db2.gz PBAAGJYXINPWQA-UHFFFAOYSA-N 1 0 248.395 3.652 20 30 BHEDRO CC(C)C[N@H+](CC1(C#N)CCC1)C1CCCC1 ZINC000450313887 202128083 /nfs/dbraw/zinc/12/80/83/202128083.db2.gz SACWAASIKMUROB-UHFFFAOYSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450320448 202126980 /nfs/dbraw/zinc/12/69/80/202126980.db2.gz VTJACWADGDNKTK-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450320449 202127943 /nfs/dbraw/zinc/12/79/43/202127943.db2.gz VTJACWADGDNKTK-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO N#CC1(C[NH+]2CCC3(CCCCC3)CC2)CCC1 ZINC000450343055 387951212 /nfs/dbraw/zinc/95/12/12/387951212.db2.gz WAOCBUMETHCSDM-UHFFFAOYSA-N 1 0 246.398 3.727 20 30 BHEDRO N#CC1(C[N@H+](CC2CC2)C2CCCCC2)CCC1 ZINC000450353605 202140536 /nfs/dbraw/zinc/14/05/36/202140536.db2.gz ZRORCEYBTCCMAK-UHFFFAOYSA-N 1 0 246.398 3.725 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[N@H+](CC1(C#N)CCC1)C1CC1 ZINC000450359208 202142035 /nfs/dbraw/zinc/14/20/35/202142035.db2.gz VKZNVOZBCDKIJU-CHWSQXEVSA-N 1 0 234.387 3.579 20 30 BHEDRO CC[C@@H](C)[C@H](C)[N@H+](CC1(C#N)CCC1)C1CC1 ZINC000450359209 202143081 /nfs/dbraw/zinc/14/30/81/202143081.db2.gz VKZNVOZBCDKIJU-OLZOCXBDSA-N 1 0 234.387 3.579 20 30 BHEDRO CC[C@H](C)[C@@H](C)[N@H+](CC1(C#N)CCC1)C1CC1 ZINC000450359211 202142064 /nfs/dbraw/zinc/14/20/64/202142064.db2.gz VKZNVOZBCDKIJU-QWHCGFSZSA-N 1 0 234.387 3.579 20 30 BHEDRO CC[C@H](C)[C@H](C)[N@H+](CC1(C#N)CCC1)C1CC1 ZINC000450359213 202143261 /nfs/dbraw/zinc/14/32/61/202143261.db2.gz VKZNVOZBCDKIJU-STQMWFEESA-N 1 0 234.387 3.579 20 30 BHEDRO C=C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450385390 202148692 /nfs/dbraw/zinc/14/86/92/202148692.db2.gz CGRJWRRXVAYUQA-UHFFFAOYSA-N 1 0 205.345 3.529 20 30 BHEDRO C=C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450389626 202149596 /nfs/dbraw/zinc/14/95/96/202149596.db2.gz JOYALXYGLSILEZ-UITAMQMPSA-N 1 0 227.351 3.742 20 30 BHEDRO C=C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450389627 202148539 /nfs/dbraw/zinc/14/85/39/202148539.db2.gz JOYALXYGLSILEZ-WEVVVXLNSA-N 1 0 227.351 3.742 20 30 BHEDRO C=CC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450396063 202150941 /nfs/dbraw/zinc/15/09/41/202150941.db2.gz VVWSLACKJRUEOZ-CYBMUJFWSA-N 1 0 243.341 3.710 20 30 BHEDRO C=CC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450396064 202152338 /nfs/dbraw/zinc/15/23/38/202152338.db2.gz VVWSLACKJRUEOZ-ZDUSSCGKSA-N 1 0 243.341 3.710 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CCC1 ZINC000450402799 202155987 /nfs/dbraw/zinc/15/59/87/202155987.db2.gz CLFHZYNOWDXPAH-HNNXBMFYSA-N 1 0 244.382 3.503 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)CCC1 ZINC000450402807 202155591 /nfs/dbraw/zinc/15/55/91/202155591.db2.gz CLFHZYNOWDXPAH-OAHLLOKOSA-N 1 0 244.382 3.503 20 30 BHEDRO N#CC1(C[N@@H+]2CCCC3(CCCCC3)C2)CCC1 ZINC000450405033 388036196 /nfs/dbraw/zinc/03/61/96/388036196.db2.gz OJUPQUAOBXAAGC-UHFFFAOYSA-N 1 0 246.398 3.727 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000450418150 202159494 /nfs/dbraw/zinc/15/94/94/202159494.db2.gz DVJNFHGWVGCCGU-GFCCVEGCSA-N 1 0 231.330 3.710 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000450418151 202159687 /nfs/dbraw/zinc/15/96/87/202159687.db2.gz DVJNFHGWVGCCGU-LBPRGKRZSA-N 1 0 231.330 3.710 20 30 BHEDRO C=CCCC[N@@H+](C)CCCC(=O)c1ccccc1 ZINC000450427048 202163522 /nfs/dbraw/zinc/16/35/22/202163522.db2.gz YIJBFJNUOWRRLK-UHFFFAOYSA-N 1 0 245.366 3.548 20 30 BHEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450428161 202164016 /nfs/dbraw/zinc/16/40/16/202164016.db2.gz HGJXFBFNZBTMAR-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450428162 202162963 /nfs/dbraw/zinc/16/29/63/202162963.db2.gz HGJXFBFNZBTMAR-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450428163 202163489 /nfs/dbraw/zinc/16/34/89/202163489.db2.gz HGJXFBFNZBTMAR-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450428164 202163231 /nfs/dbraw/zinc/16/32/31/202163231.db2.gz HGJXFBFNZBTMAR-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CCCCCC[N@@H+](C)CC1CC(F)(F)C1 ZINC000450431512 202166395 /nfs/dbraw/zinc/16/63/95/202166395.db2.gz ZSYPSGZYWZGBPA-UHFFFAOYSA-N 1 0 231.330 3.710 20 30 BHEDRO CCC[C@@]1(C)CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450451789 202170994 /nfs/dbraw/zinc/17/09/94/202170994.db2.gz GPQYZUVELBVSCS-AWEZNQCLSA-N 1 0 234.387 3.582 20 30 BHEDRO CCC[C@]1(C)CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450451790 202169827 /nfs/dbraw/zinc/16/98/27/202169827.db2.gz GPQYZUVELBVSCS-CQSZACIVSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CCC[N@H+](CCC1=CCCCC1)CC1CC1 ZINC000450463284 202172626 /nfs/dbraw/zinc/17/26/26/202172626.db2.gz NQECFWNCEHSQOG-UHFFFAOYSA-N 1 0 232.371 3.503 20 30 BHEDRO CCC1CCC([N@H+](C)CC2(C#N)CCC2)CC1 ZINC000450468922 202175893 /nfs/dbraw/zinc/17/58/93/202175893.db2.gz POZNTESOHWTLKD-UHFFFAOYSA-N 1 0 234.387 3.581 20 30 BHEDRO C[N@H+](CC1(C#N)CCC1)C1CCC(C)(C)CC1 ZINC000450480374 202179006 /nfs/dbraw/zinc/17/90/06/202179006.db2.gz AXTHEMNEZQBECY-UHFFFAOYSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450497314 202186691 /nfs/dbraw/zinc/18/66/91/202186691.db2.gz FFXQFTFEIHVMLS-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450497315 202187889 /nfs/dbraw/zinc/18/78/89/202187889.db2.gz FFXQFTFEIHVMLS-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450497316 202187553 /nfs/dbraw/zinc/18/75/53/202187553.db2.gz FFXQFTFEIHVMLS-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450497317 202186670 /nfs/dbraw/zinc/18/66/70/202186670.db2.gz FFXQFTFEIHVMLS-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450499394 202186329 /nfs/dbraw/zinc/18/63/29/202186329.db2.gz KKNRCHJNAHWOHF-AWEZNQCLSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)CC[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450499395 202186639 /nfs/dbraw/zinc/18/66/39/202186639.db2.gz KKNRCHJNAHWOHF-CQSZACIVSA-N 1 0 234.387 3.581 20 30 BHEDRO CCCCC[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450502990 202187640 /nfs/dbraw/zinc/18/76/40/202187640.db2.gz UFGOYBRBANSGAE-AWEZNQCLSA-N 1 0 234.387 3.725 20 30 BHEDRO CCCCC[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450502991 202187754 /nfs/dbraw/zinc/18/77/54/202187754.db2.gz UFGOYBRBANSGAE-CQSZACIVSA-N 1 0 234.387 3.725 20 30 BHEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450559959 202198818 /nfs/dbraw/zinc/19/88/18/202198818.db2.gz HAIWYDVGZWVQFE-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450559964 202198847 /nfs/dbraw/zinc/19/88/47/202198847.db2.gz HAIWYDVGZWVQFE-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450559965 202198157 /nfs/dbraw/zinc/19/81/57/202198157.db2.gz HAIWYDVGZWVQFE-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450559966 202199473 /nfs/dbraw/zinc/19/94/73/202199473.db2.gz HAIWYDVGZWVQFE-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450604513 202208100 /nfs/dbraw/zinc/20/81/00/202208100.db2.gz LCOLJOQHBHDIRN-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450604514 202209513 /nfs/dbraw/zinc/20/95/13/202209513.db2.gz LCOLJOQHBHDIRN-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H](C#N)C[N@H+](CCC1=CCCCC1)C1CC1 ZINC000450620322 202213100 /nfs/dbraw/zinc/21/31/00/202213100.db2.gz YKJSUMZPHLAVEU-CYBMUJFWSA-N 1 0 232.371 3.501 20 30 BHEDRO C[C@@H](C#N)C[N@H+](CCC1=CCCCC1)C1CC1 ZINC000450620333 388257327 /nfs/dbraw/zinc/25/73/27/388257327.db2.gz YKJSUMZPHLAVEU-ZDUSSCGKSA-N 1 0 232.371 3.501 20 30 BHEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(C)cc1 ZINC000450657774 202229413 /nfs/dbraw/zinc/22/94/13/202229413.db2.gz AOJPEPHQEYXZGU-HNNXBMFYSA-N 1 0 242.366 3.730 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(C)cc1 ZINC000450657775 202228385 /nfs/dbraw/zinc/22/83/85/202228385.db2.gz AOJPEPHQEYXZGU-OAHLLOKOSA-N 1 0 242.366 3.730 20 30 BHEDRO CCC[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000450661985 202231451 /nfs/dbraw/zinc/23/14/51/202231451.db2.gz PCDGIOXKOTZTGW-HNNXBMFYSA-N 1 0 242.366 3.811 20 30 BHEDRO CCC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000450661987 398165439 /nfs/dbraw/zinc/16/54/39/398165439.db2.gz PCDGIOXKOTZTGW-OAHLLOKOSA-N 1 0 242.366 3.811 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450666138 202230619 /nfs/dbraw/zinc/23/06/19/202230619.db2.gz XHTDRBVDUZRRHJ-CYBMUJFWSA-N 1 0 242.366 3.593 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450666144 202230135 /nfs/dbraw/zinc/23/01/35/202230135.db2.gz XHTDRBVDUZRRHJ-ZDUSSCGKSA-N 1 0 242.366 3.593 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)c(C)s1 ZINC000450667669 202229808 /nfs/dbraw/zinc/22/98/08/202229808.db2.gz LJWNTVYXQALLGC-LLVKDONJSA-N 1 0 248.395 3.709 20 30 BHEDRO Cc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)c(C)s1 ZINC000450667870 202230262 /nfs/dbraw/zinc/23/02/62/202230262.db2.gz LJWNTVYXQALLGC-NSHDSACASA-N 1 0 248.395 3.709 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1C ZINC000450668625 202231564 /nfs/dbraw/zinc/23/15/64/202231564.db2.gz OFXIVLYYCHXPAR-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1C ZINC000450668626 202230411 /nfs/dbraw/zinc/23/04/11/202230411.db2.gz OFXIVLYYCHXPAR-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)c(C)c1 ZINC000450669367 202230215 /nfs/dbraw/zinc/23/02/15/202230215.db2.gz QETPDILCCFOZTK-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c(C)c1 ZINC000450669368 202230634 /nfs/dbraw/zinc/23/06/34/202230634.db2.gz QETPDILCCFOZTK-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1cccc(C(C)(C)[NH2+]CC2(C#N)CCC2)c1 ZINC000450669511 202230356 /nfs/dbraw/zinc/23/03/56/202230356.db2.gz BVQLPNUNVKPXOR-UHFFFAOYSA-N 1 0 242.366 3.514 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+]CC2(C#N)CCC2)c1C ZINC000450673332 202232291 /nfs/dbraw/zinc/23/22/91/202232291.db2.gz OWHMLDJWFNPGCI-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c1C ZINC000450673333 202232747 /nfs/dbraw/zinc/23/27/47/202232747.db2.gz OWHMLDJWFNPGCI-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000450683890 711944382 /nfs/dbraw/zinc/94/43/82/711944382.db2.gz RBILYOYRYXFFBE-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000450683891 711944081 /nfs/dbraw/zinc/94/40/81/711944081.db2.gz RBILYOYRYXFFBE-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO C=C(C)C[N@H+](C)CC/C=C\c1ccccc1 ZINC000450702738 202240387 /nfs/dbraw/zinc/24/03/87/202240387.db2.gz RITHDLSJBJALGO-XFFZJAGNSA-N 1 0 215.340 3.598 20 30 BHEDRO C=C(C)C[N@H+](C)CC/C=C/c1ccccc1 ZINC000450702739 202238925 /nfs/dbraw/zinc/23/89/25/202238925.db2.gz RITHDLSJBJALGO-YRNVUSSQSA-N 1 0 215.340 3.598 20 30 BHEDRO CCCC[C@H]([NH2+]CC1(C#N)CCC1)C1CCC1 ZINC000450725193 202246409 /nfs/dbraw/zinc/24/64/09/202246409.db2.gz IARHVOIVDSPTMB-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC[C@@H]([NH2+]CC1(C#N)CCC1)C1CCC1 ZINC000450725194 386643824 /nfs/dbraw/zinc/64/38/24/386643824.db2.gz IARHVOIVDSPTMB-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450731086 386650787 /nfs/dbraw/zinc/65/07/87/386650787.db2.gz XDFMUKODYALGJR-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450731088 386651681 /nfs/dbraw/zinc/65/16/81/386651681.db2.gz XDFMUKODYALGJR-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450731090 386651103 /nfs/dbraw/zinc/65/11/03/386651103.db2.gz XDFMUKODYALGJR-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450731092 386652221 /nfs/dbraw/zinc/65/22/21/386652221.db2.gz XDFMUKODYALGJR-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO Cc1cccc(C)c1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450747902 202252831 /nfs/dbraw/zinc/25/28/31/202252831.db2.gz RBVFZAVIQDMMGE-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450747903 202253852 /nfs/dbraw/zinc/25/38/52/202253852.db2.gz RBVFZAVIQDMMGE-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO CCC1(CC)CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450752840 202256350 /nfs/dbraw/zinc/25/63/50/202256350.db2.gz BFCBQBJJVRTUDU-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC[N@H+](CC1(C#N)CCC1)[C@H]1CCCC[C@@H]1C ZINC000450809268 202271827 /nfs/dbraw/zinc/27/18/27/202271827.db2.gz KCYORVCYDMLMAY-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[N@H+](CC1(C#N)CCC1)[C@H]1CCCC[C@H]1C ZINC000450809269 202273219 /nfs/dbraw/zinc/27/32/19/202273219.db2.gz KCYORVCYDMLMAY-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[N@H+](CC1(C#N)CCC1)[C@@H]1CCCC[C@@H]1C ZINC000450809270 202273158 /nfs/dbraw/zinc/27/31/58/202273158.db2.gz KCYORVCYDMLMAY-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[N@H+](CC1(C#N)CCC1)[C@@H]1CCCC[C@H]1C ZINC000450809271 202272164 /nfs/dbraw/zinc/27/21/64/202272164.db2.gz KCYORVCYDMLMAY-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC1(C#N)CCC1 ZINC000450814208 411322861 /nfs/dbraw/zinc/32/28/61/411322861.db2.gz XZBWWVJSYZZFLI-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(C#N)CCC1 ZINC000450814209 411322692 /nfs/dbraw/zinc/32/26/92/411322692.db2.gz XZBWWVJSYZZFLI-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC1(C#N)CCC1 ZINC000450814210 411322678 /nfs/dbraw/zinc/32/26/78/411322678.db2.gz XZBWWVJSYZZFLI-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC1(C#N)CCC1 ZINC000450814211 411322913 /nfs/dbraw/zinc/32/29/13/411322913.db2.gz XZBWWVJSYZZFLI-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CCC[N@@H+](C)CC/C=C\c1ccccc1 ZINC000450822271 202275342 /nfs/dbraw/zinc/27/53/42/202275342.db2.gz SVQPCNJJSBKZIN-WQLSENKSSA-N 1 0 215.340 3.598 20 30 BHEDRO C=CCC[N@@H+](C)CC/C=C/c1ccccc1 ZINC000450822272 202276805 /nfs/dbraw/zinc/27/68/05/202276805.db2.gz SVQPCNJJSBKZIN-XYOKQWHBSA-N 1 0 215.340 3.598 20 30 BHEDRO C=CC[C@@H]1[N@@H+](CC2(C#N)CCC2)CCCC1(C)C ZINC000450874096 202296437 /nfs/dbraw/zinc/29/64/37/202296437.db2.gz UHQSHEMNJQNPPR-AWEZNQCLSA-N 1 0 246.398 3.747 20 30 BHEDRO C=CC[C@H]1[N@@H+](CC2(C#N)CCC2)CCCC1(C)C ZINC000450874101 386791780 /nfs/dbraw/zinc/79/17/80/386791780.db2.gz UHQSHEMNJQNPPR-CQSZACIVSA-N 1 0 246.398 3.747 20 30 BHEDRO C[C@@H](C1CCCCC1)[N@H+](C)CC1(C#N)CCC1 ZINC000450886093 202296763 /nfs/dbraw/zinc/29/67/63/202296763.db2.gz VRMXAFHWKIGTCH-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H](C1CCCCC1)[N@H+](C)CC1(C#N)CCC1 ZINC000450942989 202317437 /nfs/dbraw/zinc/31/74/37/202317437.db2.gz VRMXAFHWKIGTCH-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CCCCC23CCCC3)CCC1 ZINC000451052025 202337375 /nfs/dbraw/zinc/33/73/75/202337375.db2.gz UVCKNXJYLCSLST-AWEZNQCLSA-N 1 0 246.398 3.773 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CCCCC23CCCC3)CCC1 ZINC000451052026 202338658 /nfs/dbraw/zinc/33/86/58/202338658.db2.gz UVCKNXJYLCSLST-CQSZACIVSA-N 1 0 246.398 3.773 20 30 BHEDRO C[N@H+](CC/C=C\c1ccccc1)CC(C)(C)C#N ZINC000451064870 202344031 /nfs/dbraw/zinc/34/40/31/202344031.db2.gz PYNKKEPSIUFSPB-XFFZJAGNSA-N 1 0 242.366 3.571 20 30 BHEDRO C[N@H+](CC/C=C/c1ccccc1)CC(C)(C)C#N ZINC000451064871 202342525 /nfs/dbraw/zinc/34/25/25/202342525.db2.gz PYNKKEPSIUFSPB-YRNVUSSQSA-N 1 0 242.366 3.571 20 30 BHEDRO Cc1ccccc1C(C)(C)[NH2+]CC1(C#N)CCC1 ZINC000451074671 202347509 /nfs/dbraw/zinc/34/75/09/202347509.db2.gz XQFIDKMZYTYZTL-UHFFFAOYSA-N 1 0 242.366 3.514 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000451110200 202355670 /nfs/dbraw/zinc/35/56/70/202355670.db2.gz DOLDGDCCIQMJBF-GFCCVEGCSA-N 1 0 215.340 3.791 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000451110201 202354062 /nfs/dbraw/zinc/35/40/62/202354062.db2.gz DOLDGDCCIQMJBF-LBPRGKRZSA-N 1 0 215.340 3.791 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@](C)(F)C1 ZINC000451116250 202353416 /nfs/dbraw/zinc/35/34/16/202353416.db2.gz QSRCYFFURRFICQ-AWEZNQCLSA-N 1 0 240.366 3.530 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451116259 202353776 /nfs/dbraw/zinc/35/37/76/202353776.db2.gz QSRCYFFURRFICQ-CQSZACIVSA-N 1 0 240.366 3.530 20 30 BHEDRO C=C(C)C[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451147217 202365478 /nfs/dbraw/zinc/36/54/78/202365478.db2.gz OFQAFRIOITYANH-AXFHLTTASA-N 1 0 235.293 3.614 20 30 BHEDRO C=C(C)C[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451147218 202364047 /nfs/dbraw/zinc/36/40/47/202364047.db2.gz OFQAFRIOITYANH-HBNTYKKESA-N 1 0 235.293 3.614 20 30 BHEDRO C=CCC[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451150242 202366275 /nfs/dbraw/zinc/36/62/75/202366275.db2.gz VYITZBYNAPBIPR-AXFHLTTASA-N 1 0 235.293 3.614 20 30 BHEDRO C=CCC[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451150243 202365631 /nfs/dbraw/zinc/36/56/31/202365631.db2.gz VYITZBYNAPBIPR-HBNTYKKESA-N 1 0 235.293 3.614 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000451189927 202373360 /nfs/dbraw/zinc/37/33/60/202373360.db2.gz SIHIIOYCZZQCPX-HNNXBMFYSA-N 1 0 245.366 3.716 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000451189928 202373902 /nfs/dbraw/zinc/37/39/02/202373902.db2.gz SIHIIOYCZZQCPX-OAHLLOKOSA-N 1 0 245.366 3.716 20 30 BHEDRO CCC1([NH2+]Cc2cccc(F)c2C#N)CCCC1 ZINC000451274933 202392390 /nfs/dbraw/zinc/39/23/90/202392390.db2.gz KYQAOXOIMAIGCM-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO CCC1([NH2+]Cc2ccc(F)cc2C#N)CCCC1 ZINC000451275019 202391139 /nfs/dbraw/zinc/39/11/39/202391139.db2.gz LJZWSZQJEWULMP-UHFFFAOYSA-N 1 0 246.329 3.510 20 30 BHEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000451288735 202397206 /nfs/dbraw/zinc/39/72/06/202397206.db2.gz INCSBBOZTUGIBP-AWEZNQCLSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000451288736 202397249 /nfs/dbraw/zinc/39/72/49/202397249.db2.gz INCSBBOZTUGIBP-CQSZACIVSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CCCCC#N ZINC000451290256 202396476 /nfs/dbraw/zinc/39/64/76/202396476.db2.gz LRMPGVBSLILIBE-AWEZNQCLSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCCCC#N ZINC000451290257 202396197 /nfs/dbraw/zinc/39/61/97/202396197.db2.gz LRMPGVBSLILIBE-CQSZACIVSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CCC(C)(C)C#N ZINC000451291666 202396234 /nfs/dbraw/zinc/39/62/34/202396234.db2.gz QLQXURNOOYHMCW-HNNXBMFYSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCC(C)(C)C#N ZINC000451291667 202396879 /nfs/dbraw/zinc/39/68/79/202396879.db2.gz QLQXURNOOYHMCW-OAHLLOKOSA-N 1 0 236.403 3.827 20 30 BHEDRO C=C(C)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451292311 202397525 /nfs/dbraw/zinc/39/75/25/202397525.db2.gz AVPXIZXXAJLBAP-QWRGUYRKSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451299072 202398814 /nfs/dbraw/zinc/39/88/14/202398814.db2.gz QQOFCKWOCSDNKQ-QWRGUYRKSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451360856 388265149 /nfs/dbraw/zinc/26/51/49/388265149.db2.gz YUDJEYIFLDFTBN-CYBMUJFWSA-N 1 0 239.721 3.706 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451360857 388264632 /nfs/dbraw/zinc/26/46/32/388264632.db2.gz YUDJEYIFLDFTBN-ZDUSSCGKSA-N 1 0 239.721 3.706 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451402940 388270325 /nfs/dbraw/zinc/27/03/25/388270325.db2.gz CIKHVYPSTLWGJP-GHMZBOCLSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451402941 388269596 /nfs/dbraw/zinc/26/95/96/388269596.db2.gz CIKHVYPSTLWGJP-MNOVXSKESA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451402942 388269443 /nfs/dbraw/zinc/26/94/43/388269443.db2.gz CIKHVYPSTLWGJP-QWRGUYRKSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451402943 388269341 /nfs/dbraw/zinc/26/93/41/388269341.db2.gz CIKHVYPSTLWGJP-WDEREUQCSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451402963 388270260 /nfs/dbraw/zinc/27/02/60/388270260.db2.gz CMSUCXPJXFYQDE-GHMZBOCLSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451402965 323149731 /nfs/dbraw/zinc/14/97/31/323149731.db2.gz CMSUCXPJXFYQDE-QWRGUYRKSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451402966 323149734 /nfs/dbraw/zinc/14/97/34/323149734.db2.gz CMSUCXPJXFYQDE-WDEREUQCSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)CC[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451410435 388270297 /nfs/dbraw/zinc/27/02/97/388270297.db2.gz SOGGGZUBQLGFPL-GHMZBOCLSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)CC[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451410436 202416173 /nfs/dbraw/zinc/41/61/73/202416173.db2.gz SOGGGZUBQLGFPL-MNOVXSKESA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)CC[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451410437 388270467 /nfs/dbraw/zinc/27/04/67/388270467.db2.gz SOGGGZUBQLGFPL-QWRGUYRKSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)CC[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451410438 388270138 /nfs/dbraw/zinc/27/01/38/388270138.db2.gz SOGGGZUBQLGFPL-WDEREUQCSA-N 1 0 235.293 3.615 20 30 BHEDRO CCC[C@@H]([NH2+]CCC(C)(C)C#N)C(C)(C)C ZINC000451441068 388274183 /nfs/dbraw/zinc/27/41/83/388274183.db2.gz RBIJXIUBEFGGED-GFCCVEGCSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC[C@H]([NH2+]CCC(C)(C)C#N)C(C)(C)C ZINC000451441069 388273856 /nfs/dbraw/zinc/27/38/56/388273856.db2.gz RBIJXIUBEFGGED-LBPRGKRZSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000451465091 388275387 /nfs/dbraw/zinc/27/53/87/388275387.db2.gz ZMZYHUURSXZFTN-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000451465093 202428309 /nfs/dbraw/zinc/42/83/09/202428309.db2.gz ZMZYHUURSXZFTN-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846468 388300804 /nfs/dbraw/zinc/30/08/04/388300804.db2.gz WIGZPIPAUJOWGJ-AWEZNQCLSA-N 1 0 231.339 3.773 20 30 BHEDRO C=CCCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846469 388300225 /nfs/dbraw/zinc/30/02/25/388300225.db2.gz WIGZPIPAUJOWGJ-CQSZACIVSA-N 1 0 231.339 3.773 20 30 BHEDRO N#CCCCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847785 388300377 /nfs/dbraw/zinc/30/03/77/388300377.db2.gz YNZIAYOQCSELQR-AWEZNQCLSA-N 1 0 244.338 3.500 20 30 BHEDRO N#CCCCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847787 388300481 /nfs/dbraw/zinc/30/04/81/388300481.db2.gz YNZIAYOQCSELQR-CQSZACIVSA-N 1 0 244.338 3.500 20 30 BHEDRO C=C(C)CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451851802 388301056 /nfs/dbraw/zinc/30/10/56/388301056.db2.gz JRWVDPDGRJCICN-AWEZNQCLSA-N 1 0 231.339 3.773 20 30 BHEDRO C=C(C)CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451851804 388301202 /nfs/dbraw/zinc/30/12/02/388301202.db2.gz JRWVDPDGRJCICN-CQSZACIVSA-N 1 0 231.339 3.773 20 30 BHEDRO C=C(CC)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451856358 388301006 /nfs/dbraw/zinc/30/10/06/388301006.db2.gz PPCQTCPSWVVXCP-AWEZNQCLSA-N 1 0 231.339 3.773 20 30 BHEDRO C=C(CC)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451856359 388300958 /nfs/dbraw/zinc/30/09/58/388300958.db2.gz PPCQTCPSWVVXCP-CQSZACIVSA-N 1 0 231.339 3.773 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451964227 387690234 /nfs/dbraw/zinc/69/02/34/387690234.db2.gz AVXWOSNRZRELQS-AWEZNQCLSA-N 1 0 237.293 3.678 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451964228 387690287 /nfs/dbraw/zinc/69/02/87/387690287.db2.gz AVXWOSNRZRELQS-CQSZACIVSA-N 1 0 237.293 3.678 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451969433 387688835 /nfs/dbraw/zinc/68/88/35/387688835.db2.gz KPIYYZATHBWYQR-HNNXBMFYSA-N 1 0 249.304 3.515 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451969447 387689324 /nfs/dbraw/zinc/68/93/24/387689324.db2.gz KPIYYZATHBWYQR-OAHLLOKOSA-N 1 0 249.304 3.515 20 30 BHEDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000451975188 387692438 /nfs/dbraw/zinc/69/24/38/387692438.db2.gz UTPCLFXVKKLJSD-HNNXBMFYSA-N 1 0 246.329 3.575 20 30 BHEDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000451975195 386004167 /nfs/dbraw/zinc/00/41/67/386004167.db2.gz UTPCLFXVKKLJSD-OAHLLOKOSA-N 1 0 246.329 3.575 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451977417 387692630 /nfs/dbraw/zinc/69/26/30/387692630.db2.gz NKSBWVXUIWHVRC-AWEZNQCLSA-N 1 0 237.293 3.678 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451977421 387692316 /nfs/dbraw/zinc/69/23/16/387692316.db2.gz NKSBWVXUIWHVRC-CQSZACIVSA-N 1 0 237.293 3.678 20 30 BHEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451987572 387691547 /nfs/dbraw/zinc/69/15/47/387691547.db2.gz YQRLPJGMMSOYDP-KBPBESRZSA-N 1 0 239.428 3.560 20 30 BHEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451987573 387692165 /nfs/dbraw/zinc/69/21/65/387692165.db2.gz YQRLPJGMMSOYDP-KGLIPLIRSA-N 1 0 239.428 3.560 20 30 BHEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451987574 387690089 /nfs/dbraw/zinc/69/00/89/387690089.db2.gz YQRLPJGMMSOYDP-UONOGXRCSA-N 1 0 239.428 3.560 20 30 BHEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451987575 387690354 /nfs/dbraw/zinc/69/03/54/387690354.db2.gz YQRLPJGMMSOYDP-ZIAGYGMSSA-N 1 0 239.428 3.560 20 30 BHEDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCCCC(C)(C)C#N ZINC000452000560 387696324 /nfs/dbraw/zinc/69/63/24/387696324.db2.gz BWPZVRJRVADQEL-CYBMUJFWSA-N 1 0 236.403 3.969 20 30 BHEDRO C[C@H]1CCC(C)(C)[N@@H+]1CCCCC(C)(C)C#N ZINC000452000565 387694782 /nfs/dbraw/zinc/69/47/82/387694782.db2.gz BWPZVRJRVADQEL-ZDUSSCGKSA-N 1 0 236.403 3.969 20 30 BHEDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCCC(C)(C)C#N ZINC000452016449 387702497 /nfs/dbraw/zinc/70/24/97/387702497.db2.gz WOYLUSITNSSDET-GFCCVEGCSA-N 1 0 222.376 3.579 20 30 BHEDRO C[C@H]1CCC(C)(C)[N@@H+]1CCCC(C)(C)C#N ZINC000452016450 387701389 /nfs/dbraw/zinc/70/13/89/387701389.db2.gz WOYLUSITNSSDET-LBPRGKRZSA-N 1 0 222.376 3.579 20 30 BHEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000452016866 387702110 /nfs/dbraw/zinc/70/21/10/387702110.db2.gz WQJGVVZKUJSKTD-CYBMUJFWSA-N 1 0 242.366 3.516 20 30 BHEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000452016868 386113730 /nfs/dbraw/zinc/11/37/30/386113730.db2.gz WQJGVVZKUJSKTD-ZDUSSCGKSA-N 1 0 242.366 3.516 20 30 BHEDRO Cc1ccc(C[N@H+](C)CCC(C)(C)C#N)cc1C ZINC000452050448 387712873 /nfs/dbraw/zinc/71/28/73/387712873.db2.gz WYPJKLBKUPFGEZ-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO C[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCC[C@@H](C)C1 ZINC000452055403 387717724 /nfs/dbraw/zinc/71/77/24/387717724.db2.gz BOQGTEKMCSFBNT-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCC[C@H](C)C1 ZINC000452055404 202520042 /nfs/dbraw/zinc/52/00/42/202520042.db2.gz BOQGTEKMCSFBNT-IHRRRGAJSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCC[C@H](C)C1 ZINC000452055405 387717599 /nfs/dbraw/zinc/71/75/99/387717599.db2.gz BOQGTEKMCSFBNT-MELADBBJSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCC[C@@H](C)C1 ZINC000452055406 387716884 /nfs/dbraw/zinc/71/68/84/387716884.db2.gz BOQGTEKMCSFBNT-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[N@H+](CCCCC#N)C1CC(C)(C)C1 ZINC000452107278 386346555 /nfs/dbraw/zinc/34/65/55/386346555.db2.gz SDCKLNWEZKYGRI-UHFFFAOYSA-N 1 0 222.376 3.579 20 30 BHEDRO CC(C)[N@H+](CCC(C)(C)C#N)C1CC(C)(C)C1 ZINC000452107871 387738144 /nfs/dbraw/zinc/73/81/44/387738144.db2.gz UIUZAPYWYXQBSH-UHFFFAOYSA-N 1 0 236.403 3.825 20 30 BHEDRO CC(C)[N@H+](CC1(C#N)CCC1)C1CC(C)(C)C1 ZINC000452111696 387742600 /nfs/dbraw/zinc/74/26/00/387742600.db2.gz VIGMDPKERPLREN-UHFFFAOYSA-N 1 0 234.387 3.579 20 30 BHEDRO C[C@H]1CC[C@H]([NH2+]CCCCC#N)c2sccc21 ZINC000453103372 387984302 /nfs/dbraw/zinc/98/43/02/387984302.db2.gz CDPWZKGUEKGHTD-AAEUAGOBSA-N 1 0 248.395 3.970 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CCCCC#N)c2sccc21 ZINC000453103376 387984086 /nfs/dbraw/zinc/98/40/86/387984086.db2.gz CDPWZKGUEKGHTD-DGCLKSJQSA-N 1 0 248.395 3.970 20 30 BHEDRO C[C@H]1CC[C@@H]([NH2+]CCCCC#N)c2sccc21 ZINC000453103378 387984061 /nfs/dbraw/zinc/98/40/61/387984061.db2.gz CDPWZKGUEKGHTD-WCQYABFASA-N 1 0 248.395 3.970 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CCCCC#N)c2sccc21 ZINC000453103379 387984390 /nfs/dbraw/zinc/98/43/90/387984390.db2.gz CDPWZKGUEKGHTD-YPMHNXCESA-N 1 0 248.395 3.970 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453142753 387996312 /nfs/dbraw/zinc/99/63/12/387996312.db2.gz KNYLJKYNPGVQLK-BXUZGUMPSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453142754 202704135 /nfs/dbraw/zinc/70/41/35/202704135.db2.gz KNYLJKYNPGVQLK-FZMZJTMJSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453142755 202704279 /nfs/dbraw/zinc/70/42/79/202704279.db2.gz KNYLJKYNPGVQLK-RISCZKNCSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453142756 202704136 /nfs/dbraw/zinc/70/41/36/202704136.db2.gz KNYLJKYNPGVQLK-SMDDNHRTSA-N 1 0 207.361 3.509 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000453144068 387996742 /nfs/dbraw/zinc/99/67/42/387996742.db2.gz PVGNPOCAIOELMJ-JBLDHEPKSA-N 1 0 221.369 3.851 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453144070 387996284 /nfs/dbraw/zinc/99/62/84/387996284.db2.gz PVGNPOCAIOELMJ-JFGNBEQYSA-N 1 0 221.369 3.851 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000453144071 387996693 /nfs/dbraw/zinc/99/66/93/387996693.db2.gz PVGNPOCAIOELMJ-NHCYSSNCSA-N 1 0 221.369 3.851 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453144073 387996060 /nfs/dbraw/zinc/99/60/60/387996060.db2.gz PVGNPOCAIOELMJ-SCVCMEIPSA-N 1 0 221.369 3.851 20 30 BHEDRO CC(C)(C#N)CCNc1ccc2c[nH+]ccc2c1 ZINC000453157859 387999977 /nfs/dbraw/zinc/99/99/77/387999977.db2.gz HOSDPFWKXIZHSE-UHFFFAOYSA-N 1 0 239.322 3.587 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)c1ccncc1 ZINC000453185110 388004202 /nfs/dbraw/zinc/00/42/02/388004202.db2.gz XISFZWBERSOTSW-DZGCQCFKSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000453185111 202706071 /nfs/dbraw/zinc/70/60/71/202706071.db2.gz XISFZWBERSOTSW-HIFRSBDPSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](CC)c1ccncc1 ZINC000453185113 202705997 /nfs/dbraw/zinc/70/59/97/202705997.db2.gz XISFZWBERSOTSW-UKRRQHHQSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000453185115 388004990 /nfs/dbraw/zinc/00/49/90/388004990.db2.gz XISFZWBERSOTSW-ZFWWWQNUSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000453188466 388005048 /nfs/dbraw/zinc/00/50/48/388005048.db2.gz BWAYOZUAGLMALH-KBPBESRZSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000453188467 388005146 /nfs/dbraw/zinc/00/51/46/388005146.db2.gz BWAYOZUAGLMALH-KGLIPLIRSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000453188469 388004824 /nfs/dbraw/zinc/00/48/24/388004824.db2.gz BWAYOZUAGLMALH-UONOGXRCSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000453188470 388004843 /nfs/dbraw/zinc/00/48/43/388004843.db2.gz BWAYOZUAGLMALH-ZIAGYGMSSA-N 1 0 241.419 3.508 20 30 BHEDRO C[C@H]1CC[C@@H]([NH2+]CCCC#N)c2sccc21 ZINC000453197373 388008774 /nfs/dbraw/zinc/00/87/74/388008774.db2.gz SLSCWPQSUFPKNU-CMPLNLGQSA-N 1 0 234.368 3.580 20 30 BHEDRO C[C@H]1CC[C@H]([NH2+]CCCC#N)c2sccc21 ZINC000453197375 388007906 /nfs/dbraw/zinc/00/79/06/388007906.db2.gz SLSCWPQSUFPKNU-JQWIXIFHSA-N 1 0 234.368 3.580 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CCCC#N)c2sccc21 ZINC000453197377 388007592 /nfs/dbraw/zinc/00/75/92/388007592.db2.gz SLSCWPQSUFPKNU-PWSUYJOCSA-N 1 0 234.368 3.580 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CCCC#N)c2sccc21 ZINC000453197379 202706750 /nfs/dbraw/zinc/70/67/50/202706750.db2.gz SLSCWPQSUFPKNU-ZYHUDNBSSA-N 1 0 234.368 3.580 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453200413 388008697 /nfs/dbraw/zinc/00/86/97/388008697.db2.gz RCKXJXUINUSQAB-HNNXBMFYSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453200414 388007977 /nfs/dbraw/zinc/00/79/77/388007977.db2.gz RCKXJXUINUSQAB-OAHLLOKOSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453206845 388009925 /nfs/dbraw/zinc/00/99/25/388009925.db2.gz ZBCZPGVDFGVGHJ-AWEZNQCLSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453207146 387999425 /nfs/dbraw/zinc/99/94/25/387999425.db2.gz ZBCZPGVDFGVGHJ-CQSZACIVSA-N 1 0 207.361 3.511 20 30 BHEDRO CCC[C@H]([NH2+]CC1CCC(C#N)CC1)C1CCC1 ZINC000453208421 388010259 /nfs/dbraw/zinc/01/02/59/388010259.db2.gz HEYPKMAGXRQYRN-XUJLQICISA-N 1 0 248.414 3.875 20 30 BHEDRO CCC[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CCC1 ZINC000453208422 388009657 /nfs/dbraw/zinc/00/96/57/388009657.db2.gz HEYPKMAGXRQYRN-ZBCRRDGASA-N 1 0 248.414 3.875 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453214701 388011987 /nfs/dbraw/zinc/01/19/87/388011987.db2.gz NCADYZPTTHGOEJ-GDBMZVCRSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453214703 388011151 /nfs/dbraw/zinc/01/11/51/388011151.db2.gz NCADYZPTTHGOEJ-GOEBONIOSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453214704 200789696 /nfs/dbraw/zinc/78/96/96/200789696.db2.gz NCADYZPTTHGOEJ-HOCLYGCPSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453214706 386243278 /nfs/dbraw/zinc/24/32/78/386243278.db2.gz NCADYZPTTHGOEJ-ZBFHGGJFSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453217477 202709205 /nfs/dbraw/zinc/70/92/05/202709205.db2.gz LUXDIWJCATUPTM-AWEZNQCLSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453217479 388012968 /nfs/dbraw/zinc/01/29/68/388012968.db2.gz LUXDIWJCATUPTM-CQSZACIVSA-N 1 0 207.361 3.511 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453232907 411481959 /nfs/dbraw/zinc/48/19/59/411481959.db2.gz RKCWKKMMDPLUJF-HNNXBMFYSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453232908 200789849 /nfs/dbraw/zinc/78/98/49/200789849.db2.gz RKCWKKMMDPLUJF-OAHLLOKOSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCC(C)(F)F)C1CC1 ZINC000453240605 388021975 /nfs/dbraw/zinc/02/19/75/388021975.db2.gz UUMYBCWFYIFVEJ-GFCCVEGCSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCC(C)(F)F)C1CC1 ZINC000453240607 388022259 /nfs/dbraw/zinc/02/22/59/388022259.db2.gz UUMYBCWFYIFVEJ-LBPRGKRZSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]C1CC(C)(F)C1)c1ccco1 ZINC000453244212 388023398 /nfs/dbraw/zinc/02/33/98/388023398.db2.gz YQCRRNPJUIXAQX-LXVYMNJGSA-N 1 0 237.318 3.767 20 30 BHEDRO C=CCC[C@@H]([NH2+]C1CC(C)(F)C1)c1ccco1 ZINC000453244214 388023556 /nfs/dbraw/zinc/02/35/56/388023556.db2.gz YQCRRNPJUIXAQX-MBHSVXNSSA-N 1 0 237.318 3.767 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)c1ccncc1 ZINC000453244840 388023882 /nfs/dbraw/zinc/02/38/82/388023882.db2.gz STUBKXWBNGXPKF-AWEZNQCLSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](CC)c1ccncc1 ZINC000453244847 388023668 /nfs/dbraw/zinc/02/36/68/388023668.db2.gz STUBKXWBNGXPKF-CQSZACIVSA-N 1 0 232.371 3.725 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C ZINC000453285602 388034107 /nfs/dbraw/zinc/03/41/07/388034107.db2.gz BXGMTSALFHTZHP-IHRRRGAJSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C ZINC000453285603 202726158 /nfs/dbraw/zinc/72/61/58/202726158.db2.gz BXGMTSALFHTZHP-MELADBBJSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285713 388034474 /nfs/dbraw/zinc/03/44/74/388034474.db2.gz CUKUTTQWJLIDQW-AJNGGQMLSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285715 388033869 /nfs/dbraw/zinc/03/38/69/388033869.db2.gz CUKUTTQWJLIDQW-LJISPDSOSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285718 388034708 /nfs/dbraw/zinc/03/47/08/388034708.db2.gz CUKUTTQWJLIDQW-XGUBFFRZSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285720 388034494 /nfs/dbraw/zinc/03/44/94/388034494.db2.gz CUKUTTQWJLIDQW-ZQDZILKHSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453287411 388034101 /nfs/dbraw/zinc/03/41/01/388034101.db2.gz FTEBNPNMQZGGKO-CAOSSQGBSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453287412 388034688 /nfs/dbraw/zinc/03/46/88/388034688.db2.gz FTEBNPNMQZGGKO-JONQDZQNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453287413 202725985 /nfs/dbraw/zinc/72/59/85/202725985.db2.gz FTEBNPNMQZGGKO-VGWMRTNUSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453287414 388034543 /nfs/dbraw/zinc/03/45/43/388034543.db2.gz FTEBNPNMQZGGKO-YHUYYLMFSA-N 1 0 248.414 3.873 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453288937 388034658 /nfs/dbraw/zinc/03/46/58/388034658.db2.gz HGSOOZUVLOUTBV-RCBQFDQVSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453288939 388034649 /nfs/dbraw/zinc/03/46/49/388034649.db2.gz HGSOOZUVLOUTBV-VBNZEHGJSA-N 1 0 246.398 3.627 20 30 BHEDRO CC(C)CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000453291600 388035867 /nfs/dbraw/zinc/03/58/67/388035867.db2.gz MDFDJCYUZXAHMH-BPUTZDHNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000453291601 388036297 /nfs/dbraw/zinc/03/62/97/388036297.db2.gz MDFDJCYUZXAHMH-CWRNSKLLSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453291641 388035529 /nfs/dbraw/zinc/03/55/29/388035529.db2.gz MOBVSHBHQRZGEH-ARKGTOAJSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453291642 388035736 /nfs/dbraw/zinc/03/57/36/388035736.db2.gz MOBVSHBHQRZGEH-DGADGQDISA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453291643 388035305 /nfs/dbraw/zinc/03/53/05/388035305.db2.gz MOBVSHBHQRZGEH-LEOABGAYSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453291644 388036012 /nfs/dbraw/zinc/03/60/12/388036012.db2.gz MOBVSHBHQRZGEH-QMHWVQJVSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453292682 388035196 /nfs/dbraw/zinc/03/51/96/388035196.db2.gz OIXHNBMUEYDCNI-ARKGTOAJSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453292684 388036307 /nfs/dbraw/zinc/03/63/07/388036307.db2.gz OIXHNBMUEYDCNI-DGADGQDISA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453292685 388035535 /nfs/dbraw/zinc/03/55/35/388035535.db2.gz OIXHNBMUEYDCNI-LEOABGAYSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453292687 388037609 /nfs/dbraw/zinc/03/76/09/388037609.db2.gz OIXHNBMUEYDCNI-QMHWVQJVSA-N 1 0 248.414 3.873 20 30 BHEDRO CCC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCC1 ZINC000453293884 388037055 /nfs/dbraw/zinc/03/70/55/388037055.db2.gz QCCPZLBCAYSLPN-AEGPPILISA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCC1 ZINC000453293887 388036516 /nfs/dbraw/zinc/03/65/16/388036516.db2.gz QCCPZLBCAYSLPN-QEJZJMRPSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccs1 ZINC000453294067 388036522 /nfs/dbraw/zinc/03/65/22/388036522.db2.gz QMJSUDSPJJVMBW-AVGNSLFASA-N 1 0 248.395 3.871 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccs1 ZINC000453294072 388037149 /nfs/dbraw/zinc/03/71/49/388037149.db2.gz QMJSUDSPJJVMBW-RWMBFGLXSA-N 1 0 248.395 3.871 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000453294977 388037391 /nfs/dbraw/zinc/03/73/91/388037391.db2.gz RAINWZBNBKMKDV-WFASDCNBSA-N 1 0 246.398 3.627 20 30 BHEDRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453296022 388037359 /nfs/dbraw/zinc/03/73/59/388037359.db2.gz SXUKBWQENVLQIG-AJNGGQMLSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453296025 388037624 /nfs/dbraw/zinc/03/76/24/388037624.db2.gz SXUKBWQENVLQIG-CBBWQLFWSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@@H](C)[C@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453296028 388037492 /nfs/dbraw/zinc/03/74/92/388037492.db2.gz SXUKBWQENVLQIG-QPSCCSFWSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453296031 388037321 /nfs/dbraw/zinc/03/73/21/388037321.db2.gz SXUKBWQENVLQIG-ZQDZILKHSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453299008 202731191 /nfs/dbraw/zinc/73/11/91/202731191.db2.gz ZGRBPDXVCMEZEQ-AJNGGQMLSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453299009 202731939 /nfs/dbraw/zinc/73/19/39/202731939.db2.gz ZGRBPDXVCMEZEQ-LJISPDSOSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453299010 386365810 /nfs/dbraw/zinc/36/58/10/386365810.db2.gz ZGRBPDXVCMEZEQ-XGUBFFRZSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453299012 386368830 /nfs/dbraw/zinc/36/88/30/386368830.db2.gz ZGRBPDXVCMEZEQ-ZQDZILKHSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000453302741 388039467 /nfs/dbraw/zinc/03/94/67/388039467.db2.gz ARIAEYGODCYJCE-LLVKDONJSA-N 1 0 246.329 3.560 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453302742 388039731 /nfs/dbraw/zinc/03/97/31/388039731.db2.gz ARIAEYGODCYJCE-NSHDSACASA-N 1 0 246.329 3.560 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](CCC)c1cccnc1 ZINC000453302753 388039777 /nfs/dbraw/zinc/03/97/77/388039777.db2.gz ATQQZMHTRISPOZ-AWEZNQCLSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](CCC)c1cccnc1 ZINC000453302754 388039997 /nfs/dbraw/zinc/03/99/97/388039997.db2.gz ATQQZMHTRISPOZ-CQSZACIVSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000453303869 388037047 /nfs/dbraw/zinc/03/70/47/388037047.db2.gz DLQBFNHVURKNDL-LLVKDONJSA-N 1 0 221.344 3.759 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000453303877 388036839 /nfs/dbraw/zinc/03/68/39/388036839.db2.gz DLQBFNHVURKNDL-NSHDSACASA-N 1 0 221.344 3.759 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000453304131 388039371 /nfs/dbraw/zinc/03/93/71/388039371.db2.gz DWWTVLZQNBFPMS-GFCCVEGCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCC12CCCC2 ZINC000453304132 388039842 /nfs/dbraw/zinc/03/98/42/388039842.db2.gz DWWTVLZQNBFPMS-LBPRGKRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000453304133 388039636 /nfs/dbraw/zinc/03/96/36/388039636.db2.gz DXISGHCMPZQMHP-AWEZNQCLSA-N 1 0 245.366 3.702 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000453304134 388039667 /nfs/dbraw/zinc/03/96/67/388039667.db2.gz DXISGHCMPZQMHP-CQSZACIVSA-N 1 0 245.366 3.702 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(C)(C)C=C)C1CC1 ZINC000453304176 388039887 /nfs/dbraw/zinc/03/98/87/388039887.db2.gz FHDDSWURBCUIRV-CYBMUJFWSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(C)(C)C=C)C1CC1 ZINC000453304177 388039657 /nfs/dbraw/zinc/03/96/57/388039657.db2.gz FHDDSWURBCUIRV-ZDUSSCGKSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000453304190 386387987 /nfs/dbraw/zinc/38/79/87/386387987.db2.gz FIIRIGJWXHFEPK-HNNXBMFYSA-N 1 0 244.382 3.725 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000453304191 526954818 /nfs/dbraw/zinc/95/48/18/526954818.db2.gz FIIRIGJWXHFEPK-OAHLLOKOSA-N 1 0 244.382 3.725 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000453305100 202732161 /nfs/dbraw/zinc/73/21/61/202732161.db2.gz GZMPAEYPEBKYCJ-HNNXBMFYSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000453305101 388039549 /nfs/dbraw/zinc/03/95/49/388039549.db2.gz GZMPAEYPEBKYCJ-OAHLLOKOSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453305945 352513035 /nfs/dbraw/zinc/51/30/35/352513035.db2.gz IIGMOSIVHRORAD-AWEZNQCLSA-N 1 0 246.398 3.595 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453305950 352513234 /nfs/dbraw/zinc/51/32/34/352513234.db2.gz IIGMOSIVHRORAD-CQSZACIVSA-N 1 0 246.398 3.595 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000453306406 388041270 /nfs/dbraw/zinc/04/12/70/388041270.db2.gz JGGFLIINJLNSAY-GFCCVEGCSA-N 1 0 249.402 3.635 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000453306408 388041369 /nfs/dbraw/zinc/04/13/69/388041369.db2.gz JGGFLIINJLNSAY-LBPRGKRZSA-N 1 0 249.402 3.635 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1sccc1OC ZINC000453306461 388041002 /nfs/dbraw/zinc/04/10/02/388041002.db2.gz JPFOTVFJEBXGHG-JTQLQIEISA-N 1 0 239.384 3.620 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1sccc1OC ZINC000453306463 388041353 /nfs/dbraw/zinc/04/13/53/388041353.db2.gz JPFOTVFJEBXGHG-SNVBAGLBSA-N 1 0 239.384 3.620 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000453307282 388041137 /nfs/dbraw/zinc/04/11/37/388041137.db2.gz BVNAKRBWUBMHAX-JTQLQIEISA-N 1 0 238.400 3.631 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1sc(CC)nc1C ZINC000453307283 388041240 /nfs/dbraw/zinc/04/12/40/388041240.db2.gz BVNAKRBWUBMHAX-SNVBAGLBSA-N 1 0 238.400 3.631 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ncccc1CC ZINC000453307497 388041279 /nfs/dbraw/zinc/04/12/79/388041279.db2.gz LNODBRHHLALOCW-GFCCVEGCSA-N 1 0 232.371 3.507 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ncccc1CC ZINC000453307498 388041375 /nfs/dbraw/zinc/04/13/75/388041375.db2.gz LNODBRHHLALOCW-LBPRGKRZSA-N 1 0 232.371 3.507 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1CC)c1ccc(C#N)cc1 ZINC000453308736 386738534 /nfs/dbraw/zinc/73/85/34/386738534.db2.gz NVZCGLOOCCUPFO-KBMXLJTQSA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1CC)c1ccc(C#N)cc1 ZINC000453308737 386737270 /nfs/dbraw/zinc/73/72/70/386737270.db2.gz NVZCGLOOCCUPFO-VNQPRFMTSA-N 1 0 242.366 3.645 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000453309077 388040742 /nfs/dbraw/zinc/04/07/42/388040742.db2.gz DEUZRVVIWOCXPQ-HNNXBMFYSA-N 1 0 228.339 3.565 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000453309086 388041264 /nfs/dbraw/zinc/04/12/64/388041264.db2.gz DEUZRVVIWOCXPQ-OAHLLOKOSA-N 1 0 228.339 3.565 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000453310172 388042910 /nfs/dbraw/zinc/04/29/10/388042910.db2.gz RDJGFEJKZHRQLI-JTQLQIEISA-N 1 0 238.762 3.598 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000453310185 388042441 /nfs/dbraw/zinc/04/24/41/388042441.db2.gz RDJGFEJKZHRQLI-SNVBAGLBSA-N 1 0 238.762 3.598 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000453310475 388042166 /nfs/dbraw/zinc/04/21/66/388042166.db2.gz RDZQUJVUAVFZHD-CHWSQXEVSA-N 1 0 227.367 3.707 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000453310476 388042582 /nfs/dbraw/zinc/04/25/82/388042582.db2.gz RDZQUJVUAVFZHD-OLZOCXBDSA-N 1 0 227.367 3.707 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000453310477 388042609 /nfs/dbraw/zinc/04/26/09/388042609.db2.gz RDZQUJVUAVFZHD-QWHCGFSZSA-N 1 0 227.367 3.707 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000453310478 388042144 /nfs/dbraw/zinc/04/21/44/388042144.db2.gz RDZQUJVUAVFZHD-STQMWFEESA-N 1 0 227.367 3.707 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000453310574 388041883 /nfs/dbraw/zinc/04/18/83/388041883.db2.gz RTHWYHLSNNUDNE-AWEZNQCLSA-N 1 0 245.366 3.571 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000453310576 388042457 /nfs/dbraw/zinc/04/24/57/388042457.db2.gz RTHWYHLSNNUDNE-CQSZACIVSA-N 1 0 245.366 3.571 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000453310643 386397792 /nfs/dbraw/zinc/39/77/92/386397792.db2.gz FXJPBKOXCRYHND-LLVKDONJSA-N 1 0 207.317 3.513 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000453310644 386397007 /nfs/dbraw/zinc/39/70/07/386397007.db2.gz FXJPBKOXCRYHND-NSHDSACASA-N 1 0 207.317 3.513 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000453311297 388042130 /nfs/dbraw/zinc/04/21/30/388042130.db2.gz SJOVJWPSZCBNJS-AWEZNQCLSA-N 1 0 232.371 3.581 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000453311298 388042484 /nfs/dbraw/zinc/04/24/84/388042484.db2.gz SJOVJWPSZCBNJS-CQSZACIVSA-N 1 0 232.371 3.581 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000453311524 388042409 /nfs/dbraw/zinc/04/24/09/388042409.db2.gz GLCJHSGQOCVIQW-AWEZNQCLSA-N 1 0 249.329 3.595 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000453311527 388042225 /nfs/dbraw/zinc/04/22/25/388042225.db2.gz GLCJHSGQOCVIQW-CQSZACIVSA-N 1 0 249.329 3.595 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000453312154 388042867 /nfs/dbraw/zinc/04/28/67/388042867.db2.gz UTFIOVMIYJSKLY-CYBMUJFWSA-N 1 0 246.398 3.615 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000453312155 388042683 /nfs/dbraw/zinc/04/26/83/388042683.db2.gz UTFIOVMIYJSKLY-ZDUSSCGKSA-N 1 0 246.398 3.615 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000453312583 388041958 /nfs/dbraw/zinc/04/19/58/388041958.db2.gz VINGLEHMNWXIKW-DZGCQCFKSA-N 1 0 247.382 3.564 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000453312584 388042879 /nfs/dbraw/zinc/04/28/79/388042879.db2.gz VINGLEHMNWXIKW-HIFRSBDPSA-N 1 0 247.382 3.564 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000453312585 388041901 /nfs/dbraw/zinc/04/19/01/388041901.db2.gz VINGLEHMNWXIKW-UKRRQHHQSA-N 1 0 247.382 3.564 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000453312586 388042417 /nfs/dbraw/zinc/04/24/17/388042417.db2.gz VINGLEHMNWXIKW-ZFWWWQNUSA-N 1 0 247.382 3.564 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000453313203 388043518 /nfs/dbraw/zinc/04/35/18/388043518.db2.gz HSTYFRLTHLXWII-CYBMUJFWSA-N 1 0 240.350 3.852 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000453313204 388044081 /nfs/dbraw/zinc/04/40/81/388044081.db2.gz HSTYFRLTHLXWII-ZDUSSCGKSA-N 1 0 240.350 3.852 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC(=C)C)c1ccco1 ZINC000453313214 388042499 /nfs/dbraw/zinc/04/24/99/388042499.db2.gz HTFNFSJZZVTTSU-CYBMUJFWSA-N 1 0 219.328 3.843 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC(=C)C)c1ccco1 ZINC000453313215 388037927 /nfs/dbraw/zinc/03/79/27/388037927.db2.gz HTFNFSJZZVTTSU-ZDUSSCGKSA-N 1 0 219.328 3.843 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](CCC)c1ccccn1 ZINC000453313292 388044041 /nfs/dbraw/zinc/04/40/41/388044041.db2.gz WEMHPLWLTQECKA-CYBMUJFWSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](CCC)c1ccccn1 ZINC000453313293 388043753 /nfs/dbraw/zinc/04/37/53/388043753.db2.gz WEMHPLWLTQECKA-ZDUSSCGKSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000453313855 388043772 /nfs/dbraw/zinc/04/37/72/388043772.db2.gz XIBAJJYYSPDKSO-LLVKDONJSA-N 1 0 246.329 3.560 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000453313857 388043716 /nfs/dbraw/zinc/04/37/16/388043716.db2.gz XIBAJJYYSPDKSO-NSHDSACASA-N 1 0 246.329 3.560 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000453314093 386401640 /nfs/dbraw/zinc/40/16/40/386401640.db2.gz IGNDEZBQYAPGOQ-HNNXBMFYSA-N 1 0 245.366 3.765 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000453314095 219887555 /nfs/dbraw/zinc/88/75/55/219887555.db2.gz IGNDEZBQYAPGOQ-OAHLLOKOSA-N 1 0 245.366 3.765 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000453314306 388043186 /nfs/dbraw/zinc/04/31/86/388043186.db2.gz YHZKYXQAFUXCCB-GFCCVEGCSA-N 1 0 245.366 3.580 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000453314311 388044210 /nfs/dbraw/zinc/04/42/10/388044210.db2.gz YHZKYXQAFUXCCB-LBPRGKRZSA-N 1 0 245.366 3.580 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453314716 388043836 /nfs/dbraw/zinc/04/38/36/388043836.db2.gz IMZJHNGFGCUACI-GFCCVEGCSA-N 1 0 248.326 3.520 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453314718 388043788 /nfs/dbraw/zinc/04/37/88/388043788.db2.gz IMZJHNGFGCUACI-LBPRGKRZSA-N 1 0 248.326 3.520 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000453314980 488188445 /nfs/dbraw/zinc/18/84/45/488188445.db2.gz ZCNZZJOSQWSCNY-AWEZNQCLSA-N 1 0 233.330 3.615 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000453314982 488188529 /nfs/dbraw/zinc/18/85/29/488188529.db2.gz ZCNZZJOSQWSCNY-CQSZACIVSA-N 1 0 233.330 3.615 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000453315010 388044290 /nfs/dbraw/zinc/04/42/90/388044290.db2.gz ZEBYSYIRHYGPOP-HNNXBMFYSA-N 1 0 242.366 3.811 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C1CC1 ZINC000453315015 388043620 /nfs/dbraw/zinc/04/36/20/388043620.db2.gz GKMSFIQAJLPJFF-CHWSQXEVSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCC1(F)F)C1CC1 ZINC000453315016 388043845 /nfs/dbraw/zinc/04/38/45/388043845.db2.gz GKMSFIQAJLPJFF-OLZOCXBDSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000453315017 388043642 /nfs/dbraw/zinc/04/36/42/388043642.db2.gz ZEBYSYIRHYGPOP-OAHLLOKOSA-N 1 0 242.366 3.811 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CC1 ZINC000453315018 388043959 /nfs/dbraw/zinc/04/39/59/388043959.db2.gz GKMSFIQAJLPJFF-QWHCGFSZSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CC1 ZINC000453315020 388043802 /nfs/dbraw/zinc/04/38/02/388043802.db2.gz GKMSFIQAJLPJFF-STQMWFEESA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(CC)o1 ZINC000453315375 388044108 /nfs/dbraw/zinc/04/41/08/388044108.db2.gz ZFDQSZFXFMLTJH-LLVKDONJSA-N 1 0 221.344 3.705 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000453315376 388044055 /nfs/dbraw/zinc/04/40/55/388044055.db2.gz ZFDQSZFXFMLTJH-NSHDSACASA-N 1 0 221.344 3.705 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000453316303 388044014 /nfs/dbraw/zinc/04/40/14/388044014.db2.gz KCCQGSQDHZZGRY-HNNXBMFYSA-N 1 0 245.366 3.765 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000453316305 388043760 /nfs/dbraw/zinc/04/37/60/388043760.db2.gz KCCQGSQDHZZGRY-OAHLLOKOSA-N 1 0 245.366 3.765 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453316586 388043876 /nfs/dbraw/zinc/04/38/76/388043876.db2.gz KJMQPNGRNZEFHI-AWEZNQCLSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453316587 388043935 /nfs/dbraw/zinc/04/39/35/388043935.db2.gz KJMQPNGRNZEFHI-CQSZACIVSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000453316626 386402925 /nfs/dbraw/zinc/40/29/25/386402925.db2.gz KQWCLABJEVIUAS-HNNXBMFYSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000453316627 386401484 /nfs/dbraw/zinc/40/14/84/386401484.db2.gz KQWCLABJEVIUAS-OAHLLOKOSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000453316707 388043781 /nfs/dbraw/zinc/04/37/81/388043781.db2.gz KYUWHVBPPAGNSM-BPUTZDHNSA-N 1 0 229.367 3.734 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000453316709 388043807 /nfs/dbraw/zinc/04/38/07/388043807.db2.gz KYUWHVBPPAGNSM-KBMXLJTQSA-N 1 0 229.367 3.734 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000453319139 388044898 /nfs/dbraw/zinc/04/48/98/388044898.db2.gz NNFDMGISCQSHAM-GFCCVEGCSA-N 1 0 249.402 3.563 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000453319141 388045575 /nfs/dbraw/zinc/04/55/75/388045575.db2.gz NNFDMGISCQSHAM-LBPRGKRZSA-N 1 0 249.402 3.563 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000453323645 388047061 /nfs/dbraw/zinc/04/70/61/388047061.db2.gz RZWCVBLJEXWYKF-CYBMUJFWSA-N 1 0 240.350 3.852 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000453323646 386418104 /nfs/dbraw/zinc/41/81/04/386418104.db2.gz RZWCVBLJEXWYKF-ZDUSSCGKSA-N 1 0 240.350 3.852 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000453323718 388046920 /nfs/dbraw/zinc/04/69/20/388046920.db2.gz SJABHQCFMQUZQE-CYBMUJFWSA-N 1 0 237.293 3.508 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000453323720 388046070 /nfs/dbraw/zinc/04/60/70/388046070.db2.gz SJABHQCFMQUZQE-ZDUSSCGKSA-N 1 0 237.293 3.508 20 30 BHEDRO C=CCC[C@H]([NH2+]C/C=C/CC)c1ccco1 ZINC000453324692 219887524 /nfs/dbraw/zinc/88/75/24/219887524.db2.gz QONZOTYUBZCASW-IYNGYCSASA-N 1 0 219.328 3.843 20 30 BHEDRO C=CCC[C@@H]([NH2+]C/C=C\CC)c1ccco1 ZINC000453324693 386412938 /nfs/dbraw/zinc/41/29/38/386412938.db2.gz QONZOTYUBZCASW-SCXUMTSISA-N 1 0 219.328 3.843 20 30 BHEDRO C=CCC[C@H]([NH2+]C/C=C\CC)c1ccco1 ZINC000453324694 386411072 /nfs/dbraw/zinc/41/10/72/386411072.db2.gz QONZOTYUBZCASW-VGVVRCBHSA-N 1 0 219.328 3.843 20 30 BHEDRO C=CCC[C@@H]([NH2+]C/C=C/CC)c1ccco1 ZINC000453324695 386412763 /nfs/dbraw/zinc/41/27/63/386412763.db2.gz QONZOTYUBZCASW-VUDGCMKMSA-N 1 0 219.328 3.843 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000453325224 388048430 /nfs/dbraw/zinc/04/84/30/388048430.db2.gz UJIFKFJGIYJFAL-AWEZNQCLSA-N 1 0 249.329 3.595 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000453325225 388047383 /nfs/dbraw/zinc/04/73/83/388047383.db2.gz UJIFKFJGIYJFAL-CQSZACIVSA-N 1 0 249.329 3.595 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000453326620 388047709 /nfs/dbraw/zinc/04/77/09/388047709.db2.gz VGTJXYBIRQUDJX-LLVKDONJSA-N 1 0 235.396 3.854 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000453326623 388048227 /nfs/dbraw/zinc/04/82/27/388048227.db2.gz VGTJXYBIRQUDJX-NSHDSACASA-N 1 0 235.396 3.854 20 30 BHEDRO C=C(C)CC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000453327542 388047744 /nfs/dbraw/zinc/04/77/44/388047744.db2.gz VZGWQTZXKUCDMT-AWEZNQCLSA-N 1 0 247.386 3.587 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000453327543 388047437 /nfs/dbraw/zinc/04/74/37/388047437.db2.gz VZGWQTZXKUCDMT-CQSZACIVSA-N 1 0 247.386 3.587 20 30 BHEDRO C=C(C)CC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000453328125 388047391 /nfs/dbraw/zinc/04/73/91/388047391.db2.gz WNYBDHUPHFEUGG-HNNXBMFYSA-N 1 0 233.355 3.985 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000453328127 388048280 /nfs/dbraw/zinc/04/82/80/388048280.db2.gz WNYBDHUPHFEUGG-OAHLLOKOSA-N 1 0 233.355 3.985 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000453328225 200790715 /nfs/dbraw/zinc/79/07/15/200790715.db2.gz WQFZAERHLYUXGZ-CYBMUJFWSA-N 1 0 247.386 3.615 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453328227 386425337 /nfs/dbraw/zinc/42/53/37/386425337.db2.gz WQFZAERHLYUXGZ-ZDUSSCGKSA-N 1 0 247.386 3.615 20 30 BHEDRO CC/C=C\C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000453329155 386744530 /nfs/dbraw/zinc/74/45/30/386744530.db2.gz UORQRGFQYMMVEE-IYKSTZQJSA-N 1 0 228.339 3.565 20 30 BHEDRO CC/C=C/C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000453329156 386743301 /nfs/dbraw/zinc/74/33/01/386743301.db2.gz UORQRGFQYMMVEE-LLYBFZRZSA-N 1 0 228.339 3.565 20 30 BHEDRO CC/C=C/C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000453329157 386743501 /nfs/dbraw/zinc/74/35/01/386743501.db2.gz UORQRGFQYMMVEE-NFAHFFEMSA-N 1 0 228.339 3.565 20 30 BHEDRO CC/C=C\C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000453329158 386744874 /nfs/dbraw/zinc/74/48/74/386744874.db2.gz UORQRGFQYMMVEE-YVACAVLKSA-N 1 0 228.339 3.565 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCc2c1cccc2C ZINC000453331174 388048993 /nfs/dbraw/zinc/04/89/93/388048993.db2.gz ZPDQOCOLUXSDBG-HNNXBMFYSA-N 1 0 215.340 3.538 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCc2c1cccc2C ZINC000453331176 388049045 /nfs/dbraw/zinc/04/90/45/388049045.db2.gz ZPDQOCOLUXSDBG-OAHLLOKOSA-N 1 0 215.340 3.538 20 30 BHEDRO C=C(CC)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000453337411 388050635 /nfs/dbraw/zinc/05/06/35/388050635.db2.gz ALYAVVMAIPXTNE-AWEZNQCLSA-N 1 0 247.386 3.587 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000453337414 388051239 /nfs/dbraw/zinc/05/12/39/388051239.db2.gz ALYAVVMAIPXTNE-CQSZACIVSA-N 1 0 247.386 3.587 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000453340220 202741833 /nfs/dbraw/zinc/74/18/33/202741833.db2.gz CCRDDMXNDUWLAL-CYBMUJFWSA-N 1 0 240.350 3.852 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000453340224 388052458 /nfs/dbraw/zinc/05/24/58/388052458.db2.gz CCRDDMXNDUWLAL-ZDUSSCGKSA-N 1 0 240.350 3.852 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000453340331 202740697 /nfs/dbraw/zinc/74/06/97/202740697.db2.gz CFVGUAZHVVTHCM-BPUTZDHNSA-N 1 0 229.367 3.734 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000453340335 388051924 /nfs/dbraw/zinc/05/19/24/388051924.db2.gz CFVGUAZHVVTHCM-KBMXLJTQSA-N 1 0 229.367 3.734 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000453341234 388051859 /nfs/dbraw/zinc/05/18/59/388051859.db2.gz COLFYLYTYVMTIO-CYBMUJFWSA-N 1 0 237.293 3.508 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000453341236 388052648 /nfs/dbraw/zinc/05/26/48/388052648.db2.gz COLFYLYTYVMTIO-ZDUSSCGKSA-N 1 0 237.293 3.508 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)c2cc(C)on2)CCCC1 ZINC000453341682 388052290 /nfs/dbraw/zinc/05/22/90/388052290.db2.gz CJUUVGUMTFBWQG-CYBMUJFWSA-N 1 0 248.370 3.770 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)c2cc(C)on2)CCCC1 ZINC000453341683 388052398 /nfs/dbraw/zinc/05/23/98/388052398.db2.gz CJUUVGUMTFBWQG-ZDUSSCGKSA-N 1 0 248.370 3.770 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000453345627 388053276 /nfs/dbraw/zinc/05/32/76/388053276.db2.gz FKPCADSPFINHAK-AWEZNQCLSA-N 1 0 249.329 3.595 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000453345630 202744604 /nfs/dbraw/zinc/74/46/04/202744604.db2.gz FKPCADSPFINHAK-CQSZACIVSA-N 1 0 249.329 3.595 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000453346800 388054005 /nfs/dbraw/zinc/05/40/05/388054005.db2.gz GDIYQBJPBUITFQ-LLVKDONJSA-N 1 0 207.317 3.513 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000453346801 388054205 /nfs/dbraw/zinc/05/42/05/388054205.db2.gz GDIYQBJPBUITFQ-NSHDSACASA-N 1 0 207.317 3.513 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)c2ccncc2)CCCC1 ZINC000453350273 202747538 /nfs/dbraw/zinc/74/75/38/202747538.db2.gz GEINIUNLLDQRPS-AWEZNQCLSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)c2ccncc2)CCCC1 ZINC000453350276 388055312 /nfs/dbraw/zinc/05/53/12/388055312.db2.gz GEINIUNLLDQRPS-CQSZACIVSA-N 1 0 244.382 3.869 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000453351109 388055182 /nfs/dbraw/zinc/05/51/82/388055182.db2.gz IAVUQAOZOJPFQA-JTQLQIEISA-N 1 0 238.400 3.631 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1sc(CC)nc1C ZINC000453351111 388055634 /nfs/dbraw/zinc/05/56/34/388055634.db2.gz IAVUQAOZOJPFQA-SNVBAGLBSA-N 1 0 238.400 3.631 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453351135 388055520 /nfs/dbraw/zinc/05/55/20/388055520.db2.gz IBPMZXOPNKITNX-GFCCVEGCSA-N 1 0 248.326 3.520 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453351138 388055471 /nfs/dbraw/zinc/05/54/71/388055471.db2.gz IBPMZXOPNKITNX-LBPRGKRZSA-N 1 0 248.326 3.520 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1cnc(C)cc1C)C1CC1 ZINC000453354487 388057468 /nfs/dbraw/zinc/05/74/68/388057468.db2.gz JVXCAHUXKOBOOE-INIZCTEOSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1cnc(C)cc1C)C1CC1 ZINC000453354494 388056584 /nfs/dbraw/zinc/05/65/84/388056584.db2.gz JVXCAHUXKOBOOE-MRXNPFEDSA-N 1 0 244.382 3.533 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000453356538 388057717 /nfs/dbraw/zinc/05/77/17/388057717.db2.gz KWAWUSUJJSXDAT-CYBMUJFWSA-N 1 0 247.386 3.615 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453356539 388058821 /nfs/dbraw/zinc/05/88/21/388058821.db2.gz KWAWUSUJJSXDAT-ZDUSSCGKSA-N 1 0 247.386 3.615 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000453357764 388058090 /nfs/dbraw/zinc/05/80/90/388058090.db2.gz LMTZZMYYJXHXJR-CYBMUJFWSA-N 1 0 240.350 3.852 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000453357766 388058252 /nfs/dbraw/zinc/05/82/52/388058252.db2.gz LMTZZMYYJXHXJR-ZDUSSCGKSA-N 1 0 240.350 3.852 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000453360865 388058238 /nfs/dbraw/zinc/05/82/38/388058238.db2.gz NAZPXJGZHWXQTH-AWEZNQCLSA-N 1 0 249.329 3.595 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000453360868 388058518 /nfs/dbraw/zinc/05/85/18/388058518.db2.gz NAZPXJGZHWXQTH-CQSZACIVSA-N 1 0 249.329 3.595 20 30 BHEDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000453361196 386471388 /nfs/dbraw/zinc/47/13/88/386471388.db2.gz QSXDGJZHVNSVPD-KCXAZCMYSA-N 1 0 242.366 3.501 20 30 BHEDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000453361212 386469907 /nfs/dbraw/zinc/46/99/07/386469907.db2.gz QSXDGJZHVNSVPD-RCBQFDQVSA-N 1 0 242.366 3.501 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(=C)CC)c1ccco1 ZINC000453366213 388060749 /nfs/dbraw/zinc/06/07/49/388060749.db2.gz PGEJSTJUFVZXFL-CYBMUJFWSA-N 1 0 219.328 3.843 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(=C)CC)c1ccco1 ZINC000453366215 388060664 /nfs/dbraw/zinc/06/06/64/388060664.db2.gz PGEJSTJUFVZXFL-ZDUSSCGKSA-N 1 0 219.328 3.843 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000453366250 388061226 /nfs/dbraw/zinc/06/12/26/388061226.db2.gz PKDUDONJIGCALA-HNNXBMFYSA-N 1 0 228.339 3.565 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000453366251 202750978 /nfs/dbraw/zinc/75/09/78/202750978.db2.gz PKDUDONJIGCALA-OAHLLOKOSA-N 1 0 228.339 3.565 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000453368357 388061551 /nfs/dbraw/zinc/06/15/51/388061551.db2.gz QGBHFIUHLBKTPR-GFCCVEGCSA-N 1 0 249.402 3.563 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000453368360 388061790 /nfs/dbraw/zinc/06/17/90/388061790.db2.gz QGBHFIUHLBKTPR-LBPRGKRZSA-N 1 0 249.402 3.563 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000453372028 411488206 /nfs/dbraw/zinc/48/82/06/411488206.db2.gz RXEKRCUALTZUAG-HNNXBMFYSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000453372035 411488196 /nfs/dbraw/zinc/48/81/96/411488196.db2.gz RXEKRCUALTZUAG-OAHLLOKOSA-N 1 0 233.355 3.702 20 30 BHEDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000453373209 385599928 /nfs/dbraw/zinc/59/99/28/385599928.db2.gz WXKQYEFYOILWJF-KCXAZCMYSA-N 1 0 242.366 3.501 20 30 BHEDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000453373211 385600194 /nfs/dbraw/zinc/60/01/94/385600194.db2.gz WXKQYEFYOILWJF-RCBQFDQVSA-N 1 0 242.366 3.501 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)c2cccnc2)CCCC1 ZINC000453376077 388064730 /nfs/dbraw/zinc/06/47/30/388064730.db2.gz PITXUTZZNVCKLF-AWEZNQCLSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)c2cccnc2)CCCC1 ZINC000453376081 388063641 /nfs/dbraw/zinc/06/36/41/388063641.db2.gz PITXUTZZNVCKLF-CQSZACIVSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)C(C)(C)OC)CCCC1 ZINC000453380861 388065348 /nfs/dbraw/zinc/06/53/48/388065348.db2.gz RMBFKMABMJBWCS-CYBMUJFWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)C(C)(C)OC)CCCC1 ZINC000453380863 202754833 /nfs/dbraw/zinc/75/48/33/202754833.db2.gz RMBFKMABMJBWCS-ZDUSSCGKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)CCCOC)CCCC1 ZINC000453384243 388065919 /nfs/dbraw/zinc/06/59/19/388065919.db2.gz TWCQYHXMCWQFER-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)CCCOC)CCCC1 ZINC000453384247 388065823 /nfs/dbraw/zinc/06/58/23/388065823.db2.gz TWCQYHXMCWQFER-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccco1 ZINC000453386714 388068033 /nfs/dbraw/zinc/06/80/33/388068033.db2.gz PAWBBWTXARWIMT-KKUMJFAQSA-N 1 0 245.366 3.923 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccco1 ZINC000453386715 388068070 /nfs/dbraw/zinc/06/80/70/388068070.db2.gz PAWBBWTXARWIMT-SOUVJXGZSA-N 1 0 245.366 3.923 20 30 BHEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1=CCCC1 ZINC000453388028 388066972 /nfs/dbraw/zinc/06/69/72/388066972.db2.gz FOQPUUYQUYNNNR-DZGCQCFKSA-N 1 0 246.398 3.795 20 30 BHEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1=CCCC1 ZINC000453388030 202757284 /nfs/dbraw/zinc/75/72/84/202757284.db2.gz FOQPUUYQUYNNNR-HIFRSBDPSA-N 1 0 246.398 3.795 20 30 BHEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1=CCCC1 ZINC000453388033 202758810 /nfs/dbraw/zinc/75/88/10/202758810.db2.gz FOQPUUYQUYNNNR-UKRRQHHQSA-N 1 0 246.398 3.795 20 30 BHEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)C1=CCCC1 ZINC000453388037 388067415 /nfs/dbraw/zinc/06/74/15/388067415.db2.gz FOQPUUYQUYNNNR-ZFWWWQNUSA-N 1 0 246.398 3.795 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(C3CCC3)CCC2)C1 ZINC000453390635 388069195 /nfs/dbraw/zinc/06/91/95/388069195.db2.gz GYTMBDORPYULAE-DZGCQCFKSA-N 1 0 246.398 3.629 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(C3CCC3)CCC2)C1 ZINC000453390636 386557236 /nfs/dbraw/zinc/55/72/36/386557236.db2.gz GYTMBDORPYULAE-HIFRSBDPSA-N 1 0 246.398 3.629 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(C3CCC3)CCC2)C1 ZINC000453390637 386556567 /nfs/dbraw/zinc/55/65/67/386556567.db2.gz GYTMBDORPYULAE-UKRRQHHQSA-N 1 0 246.398 3.629 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(C3CCC3)CCC2)C1 ZINC000453390638 386557651 /nfs/dbraw/zinc/55/76/51/386557651.db2.gz GYTMBDORPYULAE-ZFWWWQNUSA-N 1 0 246.398 3.629 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCOC(C)(C)CC ZINC000453402440 388074052 /nfs/dbraw/zinc/07/40/52/388074052.db2.gz GAAAQDBJSANRCB-CYBMUJFWSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCOC(C)(C)CC ZINC000453402441 202762041 /nfs/dbraw/zinc/76/20/41/202762041.db2.gz GAAAQDBJSANRCB-ZDUSSCGKSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453404024 388073270 /nfs/dbraw/zinc/07/32/70/388073270.db2.gz DJISLMHSURRYSC-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453404025 388073615 /nfs/dbraw/zinc/07/36/15/388073615.db2.gz DJISLMHSURRYSC-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453404026 388074116 /nfs/dbraw/zinc/07/41/16/388074116.db2.gz DJISLMHSURRYSC-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453404027 388073054 /nfs/dbraw/zinc/07/30/54/388073054.db2.gz DJISLMHSURRYSC-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000453409750 388075956 /nfs/dbraw/zinc/07/59/56/388075956.db2.gz GISYLKRRLAKCTQ-DNOWBOINSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000453409751 388075921 /nfs/dbraw/zinc/07/59/21/388075921.db2.gz GISYLKRRLAKCTQ-OPFPJEHXSA-N 1 0 236.403 3.873 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453415952 388078182 /nfs/dbraw/zinc/07/81/82/388078182.db2.gz INTQYIXOKOVANJ-HWOWSKLDSA-N 1 0 246.398 3.627 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453415960 388078797 /nfs/dbraw/zinc/07/87/97/388078797.db2.gz INTQYIXOKOVANJ-PCKAHOCUSA-N 1 0 246.398 3.627 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453416056 388078162 /nfs/dbraw/zinc/07/81/62/388078162.db2.gz JTKPUDRAPAVAMH-GHMZBOCLSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453416058 388078017 /nfs/dbraw/zinc/07/80/17/388078017.db2.gz JTKPUDRAPAVAMH-MNOVXSKESA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453416059 202768777 /nfs/dbraw/zinc/76/87/77/202768777.db2.gz JTKPUDRAPAVAMH-QWRGUYRKSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453416062 388078338 /nfs/dbraw/zinc/07/83/38/388078338.db2.gz JTKPUDRAPAVAMH-WDEREUQCSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@H]([NH2+]CCOC(C)(C)CC)C1CC1 ZINC000453418295 200793909 /nfs/dbraw/zinc/79/39/09/200793909.db2.gz WCRYAPBKBMHYGX-AWEZNQCLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCOC(C)(C)CC)C1CC1 ZINC000453418297 386607496 /nfs/dbraw/zinc/60/74/96/386607496.db2.gz WCRYAPBKBMHYGX-CQSZACIVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453421258 388080902 /nfs/dbraw/zinc/08/09/02/388080902.db2.gz LFWNDGNVIXKIIA-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453421265 388080777 /nfs/dbraw/zinc/08/07/77/388080777.db2.gz LFWNDGNVIXKIIA-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCC1CC(F)(F)C1 ZINC000453426748 202770270 /nfs/dbraw/zinc/77/02/70/202770270.db2.gz OSBMXFAOZGUJMR-GFCCVEGCSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCC1CC(F)(F)C1 ZINC000453426749 388081511 /nfs/dbraw/zinc/08/15/11/388081511.db2.gz OSBMXFAOZGUJMR-LBPRGKRZSA-N 1 0 231.330 3.756 20 30 BHEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000453427147 388081757 /nfs/dbraw/zinc/08/17/57/388081757.db2.gz ONPMIJKXLHVUAA-BHDPWAOGSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@]1(C(C)C)C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000453427148 388081681 /nfs/dbraw/zinc/08/16/81/388081681.db2.gz ONPMIJKXLHVUAA-GRAKBVBRSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000453427149 388081376 /nfs/dbraw/zinc/08/13/76/388081376.db2.gz ONPMIJKXLHVUAA-GYTBAZASSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@]1(C(C)C)C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000453427150 202770362 /nfs/dbraw/zinc/77/03/62/202770362.db2.gz ONPMIJKXLHVUAA-KNIAUWFNSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC1CC(F)(F)C1)C1CC1 ZINC000453434023 388082116 /nfs/dbraw/zinc/08/21/16/388082116.db2.gz STRGRVLMXRSUCE-CYBMUJFWSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC1CC(F)(F)C1)C1CC1 ZINC000453434025 388082479 /nfs/dbraw/zinc/08/24/79/388082479.db2.gz STRGRVLMXRSUCE-ZDUSSCGKSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCc1ccc(C)cn1 ZINC000453434460 388082454 /nfs/dbraw/zinc/08/24/54/388082454.db2.gz UCKTZPRHPBWJDA-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCc1ccc(C)cn1 ZINC000453434462 388082253 /nfs/dbraw/zinc/08/22/53/388082253.db2.gz UCKTZPRHPBWJDA-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CC1(C2CCC2)CCC1 ZINC000453582505 388086651 /nfs/dbraw/zinc/08/66/51/388086651.db2.gz IJCQPTLZMIVCKM-UHFFFAOYSA-N 1 0 248.414 3.876 20 30 BHEDRO CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000453602868 411404581 /nfs/dbraw/zinc/40/45/81/411404581.db2.gz AGHAJNXKHQKVQS-KBPBESRZSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000453602932 398203805 /nfs/dbraw/zinc/20/38/05/398203805.db2.gz AGHAJNXKHQKVQS-KGLIPLIRSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000453602935 202782817 /nfs/dbraw/zinc/78/28/17/202782817.db2.gz AGHAJNXKHQKVQS-UONOGXRCSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000453602939 411403775 /nfs/dbraw/zinc/40/37/75/411403775.db2.gz AGHAJNXKHQKVQS-ZIAGYGMSSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000453613762 385772299 /nfs/dbraw/zinc/77/22/99/385772299.db2.gz ONKZDGCXXQSTCM-KBPBESRZSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000453613763 385771819 /nfs/dbraw/zinc/77/18/19/385771819.db2.gz ONKZDGCXXQSTCM-KGLIPLIRSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000453613764 385771933 /nfs/dbraw/zinc/77/19/33/385771933.db2.gz ONKZDGCXXQSTCM-UONOGXRCSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000453613765 385771568 /nfs/dbraw/zinc/77/15/68/385771568.db2.gz ONKZDGCXXQSTCM-ZIAGYGMSSA-N 1 0 248.395 3.534 20 30 BHEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000453614602 388092043 /nfs/dbraw/zinc/09/20/43/388092043.db2.gz PTSFBUWPNYQTOL-DZGCQCFKSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@@]1(C(C)C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000453614603 202786714 /nfs/dbraw/zinc/78/67/14/202786714.db2.gz PTSFBUWPNYQTOL-HIFRSBDPSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000453614604 388092794 /nfs/dbraw/zinc/09/27/94/388092794.db2.gz PTSFBUWPNYQTOL-UKRRQHHQSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@@]1(C(C)C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000453614605 388092246 /nfs/dbraw/zinc/09/22/46/388092246.db2.gz PTSFBUWPNYQTOL-ZFWWWQNUSA-N 1 0 236.403 3.731 20 30 BHEDRO C=C(C)C[N@H+](CC)CC1CCC(F)(F)CC1 ZINC000459305954 203253957 /nfs/dbraw/zinc/25/39/57/203253957.db2.gz MWPHPXGJHJUKEA-UHFFFAOYSA-N 1 0 231.330 3.710 20 30 BHEDRO C=CC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459336248 203260366 /nfs/dbraw/zinc/26/03/66/203260366.db2.gz CSMSTYAJQPJWQB-UHFFFAOYSA-N 1 0 243.341 3.710 20 30 BHEDRO C=CCCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459369154 527192641 /nfs/dbraw/zinc/19/26/41/527192641.db2.gz HHKLQXLBAUXYTF-UHFFFAOYSA-N 1 0 231.330 3.710 20 30 BHEDRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000459379859 203271208 /nfs/dbraw/zinc/27/12/08/203271208.db2.gz BECJBDISLZXEFM-GFCCVEGCSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000459379877 203270045 /nfs/dbraw/zinc/27/00/45/203270045.db2.gz BECJBDISLZXEFM-LBPRGKRZSA-N 1 0 240.350 3.542 20 30 BHEDRO C=C(C[NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000459393080 203275148 /nfs/dbraw/zinc/27/51/48/203275148.db2.gz XWFCUGNLSHLEPY-UHFFFAOYSA-N 1 0 227.351 3.622 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000459456015 203285116 /nfs/dbraw/zinc/28/51/16/203285116.db2.gz DPZIGNMKVWHMKA-GFCCVEGCSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000459456016 203283671 /nfs/dbraw/zinc/28/36/71/203283671.db2.gz DPZIGNMKVWHMKA-LBPRGKRZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459498745 206129984 /nfs/dbraw/zinc/12/99/84/206129984.db2.gz CKMRBFZMSILERW-UHFFFAOYSA-N 1 0 229.367 3.663 20 30 BHEDRO CC(C)(C)C1CC([NH2+]CC2CCC(C#N)CC2)C1 ZINC000459538938 324148106 /nfs/dbraw/zinc/14/81/06/324148106.db2.gz VZCIXOGLPRSJMY-UHFFFAOYSA-N 1 0 248.414 3.731 20 30 BHEDRO C=C(C)CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459582470 203306497 /nfs/dbraw/zinc/30/64/97/203306497.db2.gz RTLDTVBWLLMPNK-UHFFFAOYSA-N 1 0 229.367 3.663 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C1CC2(CCC2)C1 ZINC000459589710 203310436 /nfs/dbraw/zinc/31/04/36/203310436.db2.gz MKSNRIBWSTYQNF-UHFFFAOYSA-N 1 0 207.361 3.511 20 30 BHEDRO CC1(C)Cc2ccsc2C[N@@H+]1CCCCC#N ZINC000459590666 203308684 /nfs/dbraw/zinc/30/86/84/203308684.db2.gz YQDVDECUHGEZQD-UHFFFAOYSA-N 1 0 248.395 3.579 20 30 BHEDRO CC(C)(CCC#N)C[NH+]1CC(C2CCCCC2)C1 ZINC000459597598 203311108 /nfs/dbraw/zinc/31/11/08/203311108.db2.gz VKYABYKIQGVBIM-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(CCC#N)C[NH+]1CC2(C1)CCCCC2 ZINC000459600762 203312593 /nfs/dbraw/zinc/31/25/93/203312593.db2.gz UVBOXYATIJIFJP-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459623309 203318007 /nfs/dbraw/zinc/31/80/07/203318007.db2.gz QPLHWLKXFGHBKG-LBPRGKRZSA-N 1 0 236.334 3.618 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459632130 387145286 /nfs/dbraw/zinc/14/52/86/387145286.db2.gz DSXOYMNYVPAIBB-CABCVRRESA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459632137 200839233 /nfs/dbraw/zinc/83/92/33/200839233.db2.gz DSXOYMNYVPAIBB-GJZGRUSLSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459632139 387145258 /nfs/dbraw/zinc/14/52/58/387145258.db2.gz DSXOYMNYVPAIBB-HUUCEWRRSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459632144 387145048 /nfs/dbraw/zinc/14/50/48/387145048.db2.gz DSXOYMNYVPAIBB-LSDHHAIUSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459654553 203331802 /nfs/dbraw/zinc/33/18/02/203331802.db2.gz GIRMWCGBDLBFHH-CORIIIEPSA-N 1 0 233.330 3.626 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459654554 203331274 /nfs/dbraw/zinc/33/12/74/203331274.db2.gz GIRMWCGBDLBFHH-OSAQELSMSA-N 1 0 233.330 3.626 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459666709 203333552 /nfs/dbraw/zinc/33/35/52/203333552.db2.gz LWPSPZHVWDTLPW-HNNXBMFYSA-N 1 0 246.398 3.923 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459666710 203333527 /nfs/dbraw/zinc/33/35/27/203333527.db2.gz LWPSPZHVWDTLPW-OAHLLOKOSA-N 1 0 246.398 3.923 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459678364 203336321 /nfs/dbraw/zinc/33/63/21/203336321.db2.gz VNJWKCBZFZTLKU-AWEZNQCLSA-N 1 0 232.371 3.533 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459678365 203335487 /nfs/dbraw/zinc/33/54/87/203335487.db2.gz VNJWKCBZFZTLKU-CQSZACIVSA-N 1 0 232.371 3.533 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C1CCC(OC)CC1 ZINC000459680536 203334186 /nfs/dbraw/zinc/33/41/86/203334186.db2.gz PPFOHOILNBDCMH-NFOMZHRRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C1CCC(OC)CC1 ZINC000459680538 203334415 /nfs/dbraw/zinc/33/44/15/203334415.db2.gz PPFOHOILNBDCMH-WLYUNCDWSA-N 1 0 239.403 3.669 20 30 BHEDRO CCCc1cccc(C[NH2+]CC(C)(C)CC#N)c1 ZINC000459684213 203337703 /nfs/dbraw/zinc/33/77/03/203337703.db2.gz BTAYRUVPEFRLCA-UHFFFAOYSA-N 1 0 244.382 3.669 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC(C)(C)CC#N ZINC000459684345 203337152 /nfs/dbraw/zinc/33/71/52/203337152.db2.gz CFAOSYQMVKDBCO-CYBMUJFWSA-N 1 0 222.376 3.651 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC(C)(C)CC#N ZINC000459684346 203337265 /nfs/dbraw/zinc/33/72/65/203337265.db2.gz CFAOSYQMVKDBCO-ZDUSSCGKSA-N 1 0 222.376 3.651 20 30 BHEDRO Cc1cc(C)c(C[NH2+]CC(C)(C)CC#N)cc1C ZINC000459685648 203337697 /nfs/dbraw/zinc/33/76/97/203337697.db2.gz FPRXBWBCCQOXHI-UHFFFAOYSA-N 1 0 244.382 3.641 20 30 BHEDRO Cc1cc(C)c(C[NH2+]CC(C)(C)CC#N)c(C)c1 ZINC000459694908 203337307 /nfs/dbraw/zinc/33/73/07/203337307.db2.gz ODSOWWANAMYCIT-UHFFFAOYSA-N 1 0 244.382 3.641 20 30 BHEDRO C/C(=C/c1ccccc1)C[NH2+]CC(C)(C)CC#N ZINC000459696415 203338742 /nfs/dbraw/zinc/33/87/42/203338742.db2.gz PLVZVJNJRHDMJH-KAMYIIQDSA-N 1 0 242.366 3.619 20 30 BHEDRO C/C(=C\c1ccccc1)C[NH2+]CC(C)(C)CC#N ZINC000459696416 203338516 /nfs/dbraw/zinc/33/85/16/203338516.db2.gz PLVZVJNJRHDMJH-SDNWHVSQSA-N 1 0 242.366 3.619 20 30 BHEDRO CC(C)c1ccc(C[NH2+]CC(C)(C)CC#N)cc1 ZINC000459700640 206136772 /nfs/dbraw/zinc/13/67/72/206136772.db2.gz SNMFSNORVVUAKZ-UHFFFAOYSA-N 1 0 244.382 3.839 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000459702808 206138083 /nfs/dbraw/zinc/13/80/83/206138083.db2.gz DCUHMQFXRXEWBO-UNXYVOJBSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000459702811 206138463 /nfs/dbraw/zinc/13/84/63/206138463.db2.gz DCUHMQFXRXEWBO-VOMCLLRMSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459712871 203339284 /nfs/dbraw/zinc/33/92/84/203339284.db2.gz NQBMQYWZRCETJH-AWEZNQCLSA-N 1 0 246.398 3.923 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459712873 203340266 /nfs/dbraw/zinc/34/02/66/203340266.db2.gz NQBMQYWZRCETJH-CQSZACIVSA-N 1 0 246.398 3.923 20 30 BHEDRO CCC(CC)(CC)C[NH2+]CC(C)(C)CC#N ZINC000459725540 203341905 /nfs/dbraw/zinc/34/19/05/203341905.db2.gz CVSLJNMOUDWIBH-UHFFFAOYSA-N 1 0 224.392 3.732 20 30 BHEDRO C[C@H](CCC1CCCC1)[NH2+]CC(C)(C)CC#N ZINC000459726356 203342581 /nfs/dbraw/zinc/34/25/81/203342581.db2.gz FCYQGDIYFOOTOR-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H](CCC1CCCC1)[NH2+]CC(C)(C)CC#N ZINC000459726360 203341140 /nfs/dbraw/zinc/34/11/40/203341140.db2.gz FCYQGDIYFOOTOR-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+]CC(C)(C)CC#N ZINC000459728109 203345751 /nfs/dbraw/zinc/34/57/51/203345751.db2.gz HVHROQPSSDKXPT-GFCCVEGCSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@@H](CCC(C)(C)C)[NH2+]CC(C)(C)CC#N ZINC000459728110 203345220 /nfs/dbraw/zinc/34/52/20/203345220.db2.gz HVHROQPSSDKXPT-LBPRGKRZSA-N 1 0 224.392 3.731 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459728126 387274689 /nfs/dbraw/zinc/27/46/89/387274689.db2.gz HWCOYIINUDSSEY-CYBMUJFWSA-N 1 0 222.376 3.651 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459728128 527173141 /nfs/dbraw/zinc/17/31/41/527173141.db2.gz HWCOYIINUDSSEY-ZDUSSCGKSA-N 1 0 222.376 3.651 20 30 BHEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459729603 387275255 /nfs/dbraw/zinc/27/52/55/387275255.db2.gz KFBMNVIQVSDXPM-CHWSQXEVSA-N 1 0 224.392 3.731 20 30 BHEDRO CCCC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459729604 387276182 /nfs/dbraw/zinc/27/61/82/387276182.db2.gz KFBMNVIQVSDXPM-OLZOCXBDSA-N 1 0 224.392 3.731 20 30 BHEDRO CCCC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459729605 387275403 /nfs/dbraw/zinc/27/54/03/387275403.db2.gz KFBMNVIQVSDXPM-QWHCGFSZSA-N 1 0 224.392 3.731 20 30 BHEDRO CCCC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459729606 528896596 /nfs/dbraw/zinc/89/65/96/528896596.db2.gz KFBMNVIQVSDXPM-STQMWFEESA-N 1 0 224.392 3.731 20 30 BHEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459730422 203345176 /nfs/dbraw/zinc/34/51/76/203345176.db2.gz MDHDMIMQVXQNOC-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459730423 203344761 /nfs/dbraw/zinc/34/47/61/203344761.db2.gz MDHDMIMQVXQNOC-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459730424 203344028 /nfs/dbraw/zinc/34/40/28/203344028.db2.gz MDHDMIMQVXQNOC-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459730425 203344858 /nfs/dbraw/zinc/34/48/58/203344858.db2.gz MDHDMIMQVXQNOC-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC(C)(C)CC#N ZINC000459730464 203344525 /nfs/dbraw/zinc/34/45/25/203344525.db2.gz MPIYATZSODDWOF-KBPBESRZSA-N 1 0 234.387 3.508 20 30 BHEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC(C)(C)CC#N ZINC000459730465 203343506 /nfs/dbraw/zinc/34/35/06/203343506.db2.gz MPIYATZSODDWOF-KGLIPLIRSA-N 1 0 234.387 3.508 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC(C)(C)CC#N ZINC000459730466 203345604 /nfs/dbraw/zinc/34/56/04/203345604.db2.gz MPIYATZSODDWOF-UONOGXRCSA-N 1 0 234.387 3.508 20 30 BHEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC(C)(C)CC#N ZINC000459730467 203345284 /nfs/dbraw/zinc/34/52/84/203345284.db2.gz MPIYATZSODDWOF-ZIAGYGMSSA-N 1 0 234.387 3.508 20 30 BHEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC(C)(C)C1 ZINC000459731361 203343515 /nfs/dbraw/zinc/34/35/15/203343515.db2.gz NNPDXCSDYNOVLM-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC(C)(C)C1 ZINC000459731365 203344954 /nfs/dbraw/zinc/34/49/54/203344954.db2.gz NNPDXCSDYNOVLM-OLZOCXBDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC(C)(C)C1 ZINC000459731369 203344735 /nfs/dbraw/zinc/34/47/35/203344735.db2.gz NNPDXCSDYNOVLM-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC(C)(C)C1 ZINC000459731373 203345446 /nfs/dbraw/zinc/34/54/46/203345446.db2.gz NNPDXCSDYNOVLM-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459732816 203344331 /nfs/dbraw/zinc/34/43/31/203344331.db2.gz PLVHLKHBVNWYPU-UHFFFAOYSA-N 1 0 242.366 3.593 20 30 BHEDRO CCC[C@H]([NH2+]CC(C)(C)CC#N)C1CCCC1 ZINC000459732821 203343831 /nfs/dbraw/zinc/34/38/31/203343831.db2.gz PMLKOGMLPBOOLQ-AWEZNQCLSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1CCCC1 ZINC000459732822 203344386 /nfs/dbraw/zinc/34/43/86/203344386.db2.gz PMLKOGMLPBOOLQ-CQSZACIVSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459732829 203345490 /nfs/dbraw/zinc/34/54/90/203345490.db2.gz PNVVPODOAHRINA-CYBMUJFWSA-N 1 0 222.376 3.651 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459732830 203344674 /nfs/dbraw/zinc/34/46/74/203344674.db2.gz PNVVPODOAHRINA-ZDUSSCGKSA-N 1 0 222.376 3.651 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459733517 203345037 /nfs/dbraw/zinc/34/50/37/203345037.db2.gz QDNDEGDZNUGTKU-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459733522 203345345 /nfs/dbraw/zinc/34/53/45/203345345.db2.gz QDNDEGDZNUGTKU-OLZOCXBDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459733526 203343852 /nfs/dbraw/zinc/34/38/52/203343852.db2.gz QDNDEGDZNUGTKU-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459733530 203343716 /nfs/dbraw/zinc/34/37/16/203343716.db2.gz QDNDEGDZNUGTKU-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459733825 203343998 /nfs/dbraw/zinc/34/39/98/203343998.db2.gz RASQQKOFOFWXFU-UHFFFAOYSA-N 1 0 236.403 3.731 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CC(C)(C)CC#N)C1 ZINC000459734081 203346991 /nfs/dbraw/zinc/34/69/91/203346991.db2.gz RHVRTIGIQTWCPB-GXTWGEPZSA-N 1 0 234.387 3.508 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[NH2+]CC(C)(C)CC#N)C1 ZINC000459734087 203348094 /nfs/dbraw/zinc/34/80/94/203348094.db2.gz RHVRTIGIQTWCPB-JSGCOSHPSA-N 1 0 234.387 3.508 20 30 BHEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CC(C)(C)CC#N)C1 ZINC000459734092 203347947 /nfs/dbraw/zinc/34/79/47/203347947.db2.gz RHVRTIGIQTWCPB-OCCSQVGLSA-N 1 0 234.387 3.508 20 30 BHEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC(C)(C)CC#N)C1 ZINC000459734097 203344797 /nfs/dbraw/zinc/34/47/97/203344797.db2.gz RHVRTIGIQTWCPB-TZMCWYRMSA-N 1 0 234.387 3.508 20 30 BHEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC(C)(C)CC#N ZINC000459736251 206013808 /nfs/dbraw/zinc/01/38/08/206013808.db2.gz UIYSNWUXTYWEFK-CHWSQXEVSA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@@H](C)C[C@H](CC)[NH2+]CC(C)(C)CC#N ZINC000459736254 206014360 /nfs/dbraw/zinc/01/43/60/206014360.db2.gz UIYSNWUXTYWEFK-OLZOCXBDSA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@H](C[C@@H](C)CC)[NH2+]CC(C)(C)CC#N ZINC000459736256 206013183 /nfs/dbraw/zinc/01/31/83/206013183.db2.gz UIYSNWUXTYWEFK-QWHCGFSZSA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@H](C)C[C@H](CC)[NH2+]CC(C)(C)CC#N ZINC000459736258 206012995 /nfs/dbraw/zinc/01/29/95/206012995.db2.gz UIYSNWUXTYWEFK-STQMWFEESA-N 1 0 224.392 3.731 20 30 BHEDRO CC[C@@H](C[NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000459736285 206014352 /nfs/dbraw/zinc/01/43/52/206014352.db2.gz UONHSZZCUHXWAV-AWEZNQCLSA-N 1 0 244.382 3.710 20 30 BHEDRO CC[C@H](C[NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000459736292 206013164 /nfs/dbraw/zinc/01/31/64/206013164.db2.gz UONHSZZCUHXWAV-CQSZACIVSA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@@H](CC[NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000459736320 203346987 /nfs/dbraw/zinc/34/69/87/203346987.db2.gz USUPSFJVCUEBKH-AWEZNQCLSA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@H](CC[NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000459736321 203347357 /nfs/dbraw/zinc/34/73/57/203347357.db2.gz USUPSFJVCUEBKH-CQSZACIVSA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)C1CCCCCC1 ZINC000459736946 203346594 /nfs/dbraw/zinc/34/65/94/203346594.db2.gz VEVIIWXPZZKNQU-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CC#N)C1CCCCCC1 ZINC000459736947 203347796 /nfs/dbraw/zinc/34/77/96/203347796.db2.gz VEVIIWXPZZKNQU-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CCC[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459737138 206013563 /nfs/dbraw/zinc/01/35/63/206013563.db2.gz VUOHDPPAIONRQK-CYBMUJFWSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459737141 206013935 /nfs/dbraw/zinc/01/39/35/206013935.db2.gz VUOHDPPAIONRQK-ZDUSSCGKSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459737989 203346492 /nfs/dbraw/zinc/34/64/92/203346492.db2.gz XCNZCDDRTBYBOK-KBPBESRZSA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)c1ccccc1 ZINC000459737990 203346473 /nfs/dbraw/zinc/34/64/73/203346473.db2.gz XCNZCDDRTBYBOK-KGLIPLIRSA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H](C)c1ccccc1 ZINC000459737991 203347538 /nfs/dbraw/zinc/34/75/38/203347538.db2.gz XCNZCDDRTBYBOK-UONOGXRCSA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)c1ccccc1 ZINC000459737992 203347728 /nfs/dbraw/zinc/34/77/28/203347728.db2.gz XCNZCDDRTBYBOK-ZIAGYGMSSA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCC[C@H]1C ZINC000459738038 203348868 /nfs/dbraw/zinc/34/88/68/203348868.db2.gz XHUKSIRWTWEAEM-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCC[C@H]1C ZINC000459738039 203347721 /nfs/dbraw/zinc/34/77/21/203347721.db2.gz XHUKSIRWTWEAEM-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCC[C@H]1C ZINC000459738041 203347411 /nfs/dbraw/zinc/34/74/11/203347411.db2.gz XHUKSIRWTWEAEM-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCC[C@H]1C ZINC000459738043 203347276 /nfs/dbraw/zinc/34/72/76/203347276.db2.gz XHUKSIRWTWEAEM-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CC#N ZINC000459738058 203349464 /nfs/dbraw/zinc/34/94/64/203349464.db2.gz XILGOGHSFURPBO-HNNXBMFYSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CC#N ZINC000459738059 203350010 /nfs/dbraw/zinc/35/00/10/203350010.db2.gz XILGOGHSFURPBO-OAHLLOKOSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1F ZINC000459738161 203349946 /nfs/dbraw/zinc/34/99/46/203349946.db2.gz XPRLUOCXGHAKRK-AWEZNQCLSA-N 1 0 248.345 3.806 20 30 BHEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1F ZINC000459738166 203348922 /nfs/dbraw/zinc/34/89/22/203348922.db2.gz XPRLUOCXGHAKRK-CQSZACIVSA-N 1 0 248.345 3.806 20 30 BHEDRO C[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)CC#N ZINC000459738203 203350283 /nfs/dbraw/zinc/35/02/83/203350283.db2.gz XUKOHOMZKXYNSK-AWEZNQCLSA-N 1 0 244.382 3.537 20 30 BHEDRO C[C@H](CCc1ccccc1)[NH2+]CC(C)(C)CC#N ZINC000459738207 203349664 /nfs/dbraw/zinc/34/96/64/203349664.db2.gz XUKOHOMZKXYNSK-CQSZACIVSA-N 1 0 244.382 3.537 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000459738819 203350442 /nfs/dbraw/zinc/35/04/42/203350442.db2.gz YBGMPXYCEMMMAX-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCC12CCCC2 ZINC000459738823 203348592 /nfs/dbraw/zinc/34/85/92/203348592.db2.gz YBGMPXYCEMMMAX-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459738968 203350475 /nfs/dbraw/zinc/35/04/75/203350475.db2.gz YOCSNXMQMLPONP-KBPBESRZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459738972 203348639 /nfs/dbraw/zinc/34/86/39/203348639.db2.gz YOCSNXMQMLPONP-KGLIPLIRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459738975 203350102 /nfs/dbraw/zinc/35/01/02/203350102.db2.gz YOCSNXMQMLPONP-UONOGXRCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459738978 203349255 /nfs/dbraw/zinc/34/92/55/203349255.db2.gz YOCSNXMQMLPONP-ZIAGYGMSSA-N 1 0 236.403 3.731 20 30 BHEDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCC1 ZINC000459744260 203351679 /nfs/dbraw/zinc/35/16/79/203351679.db2.gz DLAZXSJYQNADKK-CFVMTHIKSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CCC1 ZINC000459744262 203352004 /nfs/dbraw/zinc/35/20/04/203352004.db2.gz DLAZXSJYQNADKK-QEJZJMRPSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCC1 ZINC000459744264 203351853 /nfs/dbraw/zinc/35/18/53/203351853.db2.gz DLAZXSJYQNADKK-SNPRPXQTSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCC1 ZINC000459744266 203352246 /nfs/dbraw/zinc/35/22/46/203352246.db2.gz DLAZXSJYQNADKK-YUELXQCFSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CCCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459750745 387285664 /nfs/dbraw/zinc/28/56/64/387285664.db2.gz AAQIWSPHESNMSM-UHFFFAOYSA-N 1 0 221.731 3.622 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000459751798 203355393 /nfs/dbraw/zinc/35/53/93/203355393.db2.gz BJYBFQXBLPPUQZ-GYSYKLTISA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000459751800 203355561 /nfs/dbraw/zinc/35/55/61/203355561.db2.gz BJYBFQXBLPPUQZ-JTNHKYCSSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000459751802 203356827 /nfs/dbraw/zinc/35/68/27/203356827.db2.gz BJYBFQXBLPPUQZ-SUNKGSAMSA-N 1 0 248.757 3.683 20 30 BHEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)o1)C1CCCC1 ZINC000459767992 203361258 /nfs/dbraw/zinc/36/12/58/203361258.db2.gz LRBXFLNGCLQZDJ-HNNXBMFYSA-N 1 0 246.354 3.600 20 30 BHEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCCC1 ZINC000459767998 203359836 /nfs/dbraw/zinc/35/98/36/203359836.db2.gz LRBXFLNGCLQZDJ-OAHLLOKOSA-N 1 0 246.354 3.600 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000459769134 203362948 /nfs/dbraw/zinc/36/29/48/203362948.db2.gz MCVIULNWYZOLSD-GFCCVEGCSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000459769136 203363754 /nfs/dbraw/zinc/36/37/54/203363754.db2.gz MCVIULNWYZOLSD-LBPRGKRZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777462 203366068 /nfs/dbraw/zinc/36/60/68/203366068.db2.gz VZQGFTCWDCFPNF-MQYQWHSLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777463 203364415 /nfs/dbraw/zinc/36/44/15/203364415.db2.gz VZQGFTCWDCFPNF-RFGFWPKPSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777464 203366036 /nfs/dbraw/zinc/36/60/36/203366036.db2.gz VZQGFTCWDCFPNF-YIYPIFLZSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777466 203364978 /nfs/dbraw/zinc/36/49/78/203364978.db2.gz VZQGFTCWDCFPNF-ZOBORPQBSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777762 203366304 /nfs/dbraw/zinc/36/63/04/203366304.db2.gz LQIHVJAKMMXHQU-HZSPNIEDSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777764 203365824 /nfs/dbraw/zinc/36/58/24/203365824.db2.gz LQIHVJAKMMXHQU-RDBSUJKOSA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459778036 203366398 /nfs/dbraw/zinc/36/63/98/203366398.db2.gz ZAHLAODYDWHJLG-UHFFFAOYSA-N 1 0 221.731 3.622 20 30 BHEDRO CC(C)(C#N)CCC[NH2+]C1(C2CCC2)CCC1 ZINC000459781254 203366820 /nfs/dbraw/zinc/36/68/20/203366820.db2.gz WSPCGWFGRJIION-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCC[C@H](C)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000459783379 203368382 /nfs/dbraw/zinc/36/83/82/203368382.db2.gz ZTNUJJNUYFLTPW-AWEZNQCLSA-N 1 0 246.398 3.823 20 30 BHEDRO C=CCC[C@@H](C)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000459783382 203367230 /nfs/dbraw/zinc/36/72/30/203367230.db2.gz ZTNUJJNUYFLTPW-CQSZACIVSA-N 1 0 246.398 3.823 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000461819052 259505109 /nfs/dbraw/zinc/50/51/09/259505109.db2.gz SHSLCYCSDPFEKZ-KBPBESRZSA-N 1 0 235.371 3.935 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)CCc1ccco1 ZINC000461819053 388262094 /nfs/dbraw/zinc/26/20/94/388262094.db2.gz SHSLCYCSDPFEKZ-KGLIPLIRSA-N 1 0 235.371 3.935 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000461819054 388262001 /nfs/dbraw/zinc/26/20/01/388262001.db2.gz SHSLCYCSDPFEKZ-UONOGXRCSA-N 1 0 235.371 3.935 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)CCc1ccco1 ZINC000461819055 388262248 /nfs/dbraw/zinc/26/22/48/388262248.db2.gz SHSLCYCSDPFEKZ-ZIAGYGMSSA-N 1 0 235.371 3.935 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@](C)(O)[C@H](C)CC ZINC000462109121 385382145 /nfs/dbraw/zinc/38/21/45/385382145.db2.gz CSKSIQCXSLCVKO-ILXRZTDVSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@](C)(O)[C@@H](C)CC ZINC000462109122 219869499 /nfs/dbraw/zinc/86/94/99/219869499.db2.gz CSKSIQCXSLCVKO-KKUMJFAQSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@](C)(O)[C@H](C)CC ZINC000462109123 219869513 /nfs/dbraw/zinc/86/95/13/219869513.db2.gz CSKSIQCXSLCVKO-QLFBSQMISA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@](C)(O)[C@@H](C)CC ZINC000462109124 385382357 /nfs/dbraw/zinc/38/23/57/385382357.db2.gz CSKSIQCXSLCVKO-SOUVJXGZSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CC)C1CCOCC1 ZINC000462109394 398008033 /nfs/dbraw/zinc/00/80/33/398008033.db2.gz QHICGUVMOGZESR-CABCVRRESA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)C1CCOCC1 ZINC000462109395 527466736 /nfs/dbraw/zinc/46/67/36/527466736.db2.gz QHICGUVMOGZESR-GJZGRUSLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](CC)C1CCOCC1 ZINC000462109396 398007988 /nfs/dbraw/zinc/00/79/88/398007988.db2.gz QHICGUVMOGZESR-HUUCEWRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)C1CCOCC1 ZINC000462109397 527467086 /nfs/dbraw/zinc/46/70/86/527467086.db2.gz QHICGUVMOGZESR-LSDHHAIUSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1CCC(OC)CC1 ZINC000462110706 527425741 /nfs/dbraw/zinc/42/57/41/527425741.db2.gz JFBFVMHEBYZZMX-SHARSMKWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1CCC(OC)CC1 ZINC000462110707 527465757 /nfs/dbraw/zinc/46/57/57/527465757.db2.gz JFBFVMHEBYZZMX-SLTAFYQDSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000462113173 398007938 /nfs/dbraw/zinc/00/79/38/398007938.db2.gz RBPLQDDPCBQXEO-DZGCQCFKSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000462113174 398008076 /nfs/dbraw/zinc/00/80/76/398008076.db2.gz RBPLQDDPCBQXEO-HIFRSBDPSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000462113175 398008097 /nfs/dbraw/zinc/00/80/97/398008097.db2.gz RBPLQDDPCBQXEO-UKRRQHHQSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000462113176 398007915 /nfs/dbraw/zinc/00/79/15/398007915.db2.gz RBPLQDDPCBQXEO-ZFWWWQNUSA-N 1 0 247.382 3.658 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)Cc1ccncc1 ZINC000462115472 398008070 /nfs/dbraw/zinc/00/80/70/398008070.db2.gz GSXQPFCOMRUAAE-GDBMZVCRSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000462115474 398007878 /nfs/dbraw/zinc/00/78/78/398007878.db2.gz GSXQPFCOMRUAAE-GOEBONIOSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000462115476 398008091 /nfs/dbraw/zinc/00/80/91/398008091.db2.gz GSXQPFCOMRUAAE-HOCLYGCPSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)Cc1ccncc1 ZINC000462115477 398008136 /nfs/dbraw/zinc/00/81/36/398008136.db2.gz GSXQPFCOMRUAAE-ZBFHGGJFSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000462116370 388263955 /nfs/dbraw/zinc/26/39/55/388263955.db2.gz HYEPYHKBEQYPHT-CABCVRRESA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000462116371 388264210 /nfs/dbraw/zinc/26/42/10/388264210.db2.gz HYEPYHKBEQYPHT-GJZGRUSLSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@](C)(O)CCC(C)C ZINC000462116372 388263918 /nfs/dbraw/zinc/26/39/18/388263918.db2.gz HYEPYHKBEQYPHT-HUUCEWRRSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@](C)(O)CCC(C)C ZINC000462116373 527465487 /nfs/dbraw/zinc/46/54/87/527465487.db2.gz HYEPYHKBEQYPHT-LSDHHAIUSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1(CC)CCOCC1 ZINC000462117509 388264273 /nfs/dbraw/zinc/26/42/73/388264273.db2.gz CCOQMERXKXBBCT-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1(CC)CCOCC1 ZINC000462117511 527425191 /nfs/dbraw/zinc/42/51/91/527425191.db2.gz CCOQMERXKXBBCT-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000462118007 388263841 /nfs/dbraw/zinc/26/38/41/388263841.db2.gz NKJATCFQEYXVOL-KBPBESRZSA-N 1 0 241.419 3.915 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)CC(C)(C)OC ZINC000462118008 388264092 /nfs/dbraw/zinc/26/40/92/388264092.db2.gz NKJATCFQEYXVOL-KGLIPLIRSA-N 1 0 241.419 3.915 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)CC(C)(C)OC ZINC000462118009 388264124 /nfs/dbraw/zinc/26/41/24/388264124.db2.gz NKJATCFQEYXVOL-UONOGXRCSA-N 1 0 241.419 3.915 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)CC(C)(C)OC ZINC000462118010 388264206 /nfs/dbraw/zinc/26/42/06/388264206.db2.gz NKJATCFQEYXVOL-ZIAGYGMSSA-N 1 0 241.419 3.915 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCC1CCOCC1 ZINC000462121261 388264426 /nfs/dbraw/zinc/26/44/26/388264426.db2.gz NDXFILWWXCRRJG-HNNXBMFYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCC1CCOCC1 ZINC000462121262 388264408 /nfs/dbraw/zinc/26/44/08/388264408.db2.gz NDXFILWWXCRRJG-OAHLLOKOSA-N 1 0 239.403 3.528 20 30 BHEDRO CC#CCC[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000462308867 388265324 /nfs/dbraw/zinc/26/53/24/388265324.db2.gz ARTLNBINZAALTP-UHFFFAOYSA-N 1 0 241.787 3.637 20 30 BHEDRO CC#CCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000462308926 388265715 /nfs/dbraw/zinc/26/57/15/388265715.db2.gz AXHAPAZMEWLFIS-KRWDZBQOSA-N 1 0 239.362 3.552 20 30 BHEDRO CC#CCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000462308929 388265824 /nfs/dbraw/zinc/26/58/24/388265824.db2.gz AXHAPAZMEWLFIS-QGZVFWFLSA-N 1 0 239.362 3.552 20 30 BHEDRO CC#CCC[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000462310801 388265901 /nfs/dbraw/zinc/26/59/01/388265901.db2.gz GNNDQLLPEJTQPK-UHFFFAOYSA-N 1 0 235.758 3.575 20 30 BHEDRO CC#CCC[N@@H+](CC)[C@@H](CC)c1ccccc1 ZINC000462311561 388265854 /nfs/dbraw/zinc/26/58/54/388265854.db2.gz BWTIUNSNFYCTIZ-INIZCTEOSA-N 1 0 229.367 3.873 20 30 BHEDRO CC#CCC[N@@H+](CC)[C@H](CC)c1ccccc1 ZINC000462311572 388265528 /nfs/dbraw/zinc/26/55/28/388265528.db2.gz BWTIUNSNFYCTIZ-MRXNPFEDSA-N 1 0 229.367 3.873 20 30 BHEDRO CC#CCC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000462313339 388265335 /nfs/dbraw/zinc/26/53/35/388265335.db2.gz LCRRKRMYOPTFGE-UHFFFAOYSA-N 1 0 245.366 3.828 20 30 BHEDRO CC#CCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000462314079 388265545 /nfs/dbraw/zinc/26/55/45/388265545.db2.gz NJTBNOMVSGUJPL-CVEARBPZSA-N 1 0 241.378 3.586 20 30 BHEDRO CC#CCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000462314080 388265879 /nfs/dbraw/zinc/26/58/79/388265879.db2.gz NJTBNOMVSGUJPL-HOTGVXAUSA-N 1 0 241.378 3.586 20 30 BHEDRO CC#CCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000462314081 388265958 /nfs/dbraw/zinc/26/59/58/388265958.db2.gz NJTBNOMVSGUJPL-HZPDHXFCSA-N 1 0 241.378 3.586 20 30 BHEDRO CC#CCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000462314082 388265452 /nfs/dbraw/zinc/26/54/52/388265452.db2.gz NJTBNOMVSGUJPL-JKSUJKDBSA-N 1 0 241.378 3.586 20 30 BHEDRO CC#CCC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000462314234 388265778 /nfs/dbraw/zinc/26/57/78/388265778.db2.gz JCLZSUNJHYQAGV-HNNXBMFYSA-N 1 0 241.378 3.701 20 30 BHEDRO CC#CCC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000462314235 388265874 /nfs/dbraw/zinc/26/58/74/388265874.db2.gz JCLZSUNJHYQAGV-OAHLLOKOSA-N 1 0 241.378 3.701 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000462314464 388265930 /nfs/dbraw/zinc/26/59/30/388265930.db2.gz DQOPNJVVEICCFY-AWEZNQCLSA-N 1 0 247.769 3.543 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000462314465 388265313 /nfs/dbraw/zinc/26/53/13/388265313.db2.gz DQOPNJVVEICCFY-CQSZACIVSA-N 1 0 247.769 3.543 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000462315256 388265459 /nfs/dbraw/zinc/26/54/59/388265459.db2.gz MFEDOBLCMSKNSA-DOTOQJQBSA-N 1 0 241.378 3.525 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000462315258 388265183 /nfs/dbraw/zinc/26/51/83/388265183.db2.gz MFEDOBLCMSKNSA-NVXWUHKLSA-N 1 0 241.378 3.525 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000462315260 388265382 /nfs/dbraw/zinc/26/53/82/388265382.db2.gz MFEDOBLCMSKNSA-RDJZCZTQSA-N 1 0 241.378 3.525 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000462315262 388265394 /nfs/dbraw/zinc/26/53/94/388265394.db2.gz MFEDOBLCMSKNSA-WBVHZDCISA-N 1 0 241.378 3.525 20 30 BHEDRO CC#CCC[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000462315280 388265445 /nfs/dbraw/zinc/26/54/45/388265445.db2.gz MJHQTQVQLCYJEC-UHFFFAOYSA-N 1 0 235.758 3.575 20 30 BHEDRO CC#CCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000462315492 388265431 /nfs/dbraw/zinc/26/54/31/388265431.db2.gz PYGRCNIDKYWOST-INIZCTEOSA-N 1 0 229.367 3.729 20 30 BHEDRO CC#CCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000462315493 388265267 /nfs/dbraw/zinc/26/52/67/388265267.db2.gz PYGRCNIDKYWOST-MRXNPFEDSA-N 1 0 229.367 3.729 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000462315826 388265401 /nfs/dbraw/zinc/26/54/01/388265401.db2.gz RFXSTBBDYJIQQG-INIZCTEOSA-N 1 0 227.351 3.545 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000462315844 388265625 /nfs/dbraw/zinc/26/56/25/388265625.db2.gz RFXSTBBDYJIQQG-MRXNPFEDSA-N 1 0 227.351 3.545 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000462315913 388265570 /nfs/dbraw/zinc/26/55/70/388265570.db2.gz RMCPUSPHOATODE-DZGCQCFKSA-N 1 0 245.366 3.774 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000462315918 388265321 /nfs/dbraw/zinc/26/53/21/388265321.db2.gz RMCPUSPHOATODE-HIFRSBDPSA-N 1 0 245.366 3.774 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000462315920 388265576 /nfs/dbraw/zinc/26/55/76/388265576.db2.gz RMCPUSPHOATODE-UKRRQHHQSA-N 1 0 245.366 3.774 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000462315921 388265685 /nfs/dbraw/zinc/26/56/85/388265685.db2.gz RMCPUSPHOATODE-ZFWWWQNUSA-N 1 0 245.366 3.774 20 30 BHEDRO CC#CCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000462316604 388265429 /nfs/dbraw/zinc/26/54/29/388265429.db2.gz MALHVMWBFHVNNE-HNNXBMFYSA-N 1 0 229.367 3.710 20 30 BHEDRO CC#CCC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000462316606 388265303 /nfs/dbraw/zinc/26/53/03/388265303.db2.gz MALHVMWBFHVNNE-OAHLLOKOSA-N 1 0 229.367 3.710 20 30 BHEDRO CC#CCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000462316713 388265487 /nfs/dbraw/zinc/26/54/87/388265487.db2.gz RTEJUCOKXFNRAZ-HNNXBMFYSA-N 1 0 229.367 3.710 20 30 BHEDRO CC#CCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000462316714 388265379 /nfs/dbraw/zinc/26/53/79/388265379.db2.gz RTEJUCOKXFNRAZ-OAHLLOKOSA-N 1 0 229.367 3.710 20 30 BHEDRO CC#CCC[N@H+](CC(C)C)C(CC)CC ZINC000462316827 388265936 /nfs/dbraw/zinc/26/59/36/388265936.db2.gz AZTYUTCLFOMKMJ-UHFFFAOYSA-N 1 0 209.377 3.546 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000462317280 384232351 /nfs/dbraw/zinc/23/23/51/384232351.db2.gz QURIVWRQOSKCJC-KRWDZBQOSA-N 1 0 241.378 3.854 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000462317281 384231631 /nfs/dbraw/zinc/23/16/31/384231631.db2.gz QURIVWRQOSKCJC-QGZVFWFLSA-N 1 0 241.378 3.854 20 30 BHEDRO CC#CCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000462317792 388265806 /nfs/dbraw/zinc/26/58/06/388265806.db2.gz WWQRJFKBEUXRDX-UHFFFAOYSA-N 1 0 229.367 3.701 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000462318090 388265471 /nfs/dbraw/zinc/26/54/71/388265471.db2.gz VODXAMVYXCLOCX-HNNXBMFYSA-N 1 0 247.769 3.890 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000462318091 388265662 /nfs/dbraw/zinc/26/56/62/388265662.db2.gz VODXAMVYXCLOCX-OAHLLOKOSA-N 1 0 247.769 3.890 20 30 BHEDRO CC#CCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000462318917 388265343 /nfs/dbraw/zinc/26/53/43/388265343.db2.gz ZHOLRQVLBFQLFA-GFCCVEGCSA-N 1 0 235.758 3.746 20 30 BHEDRO CC#CCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000462318919 388265424 /nfs/dbraw/zinc/26/54/24/388265424.db2.gz ZHOLRQVLBFQLFA-LBPRGKRZSA-N 1 0 235.758 3.746 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000462320083 388265556 /nfs/dbraw/zinc/26/55/56/388265556.db2.gz QJDOGKGBVVUDMN-KRWDZBQOSA-N 1 0 241.378 3.854 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000462320084 388265522 /nfs/dbraw/zinc/26/55/22/388265522.db2.gz QJDOGKGBVVUDMN-QGZVFWFLSA-N 1 0 241.378 3.854 20 30 BHEDRO CC#CCC[NH+]1CCC(c2ccccc2C)CC1 ZINC000462320835 384239856 /nfs/dbraw/zinc/23/98/56/384239856.db2.gz SEMGVLGBUJWIIG-UHFFFAOYSA-N 1 0 241.378 3.588 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000462320860 388265199 /nfs/dbraw/zinc/26/51/99/388265199.db2.gz SQKGHHNOQQBHLR-HNNXBMFYSA-N 1 0 247.769 3.890 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000462320861 388266199 /nfs/dbraw/zinc/26/61/99/388266199.db2.gz SQKGHHNOQQBHLR-OAHLLOKOSA-N 1 0 247.769 3.890 20 30 BHEDRO CC#CCC[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000462320890 388266692 /nfs/dbraw/zinc/26/66/92/388266692.db2.gz SWGYDACRKRXUMK-CYBMUJFWSA-N 1 0 233.330 3.622 20 30 BHEDRO CC#CCC[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000462320891 388266259 /nfs/dbraw/zinc/26/62/59/388266259.db2.gz SWGYDACRKRXUMK-ZDUSSCGKSA-N 1 0 233.330 3.622 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCCc1ccncc1 ZINC000462321303 388266235 /nfs/dbraw/zinc/26/62/35/388266235.db2.gz MPABQDBXAJTZBY-UHFFFAOYSA-N 1 0 246.398 3.692 20 30 BHEDRO CC#CCC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000462321830 388266622 /nfs/dbraw/zinc/26/66/22/388266622.db2.gz XBJFUIVMIFWOAE-CYBMUJFWSA-N 1 0 249.785 3.616 20 30 BHEDRO CC#CCC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000462322011 388266169 /nfs/dbraw/zinc/26/61/69/388266169.db2.gz XBJFUIVMIFWOAE-ZDUSSCGKSA-N 1 0 249.785 3.616 20 30 BHEDRO CC#CCC[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000462322368 384247095 /nfs/dbraw/zinc/24/70/95/384247095.db2.gz ZZPOLOQBCQGIDU-HNNXBMFYSA-N 1 0 229.367 3.701 20 30 BHEDRO CC#CCC[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000462322369 219862848 /nfs/dbraw/zinc/86/28/48/219862848.db2.gz ZZPOLOQBCQGIDU-OAHLLOKOSA-N 1 0 229.367 3.701 20 30 BHEDRO CC#CCC[N@H+](C)Cc1cccc2ccccc21 ZINC000462323632 388266981 /nfs/dbraw/zinc/26/69/81/388266981.db2.gz DAQDGVSREFDKEO-UHFFFAOYSA-N 1 0 237.346 3.685 20 30 BHEDRO CC#CCC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000462323975 388266964 /nfs/dbraw/zinc/26/69/64/388266964.db2.gz WMYYTSUZICYFKV-HNNXBMFYSA-N 1 0 245.366 3.919 20 30 BHEDRO CC#CCC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000462323977 388266661 /nfs/dbraw/zinc/26/66/61/388266661.db2.gz WMYYTSUZICYFKV-OAHLLOKOSA-N 1 0 245.366 3.919 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000462324684 388266669 /nfs/dbraw/zinc/26/66/69/388266669.db2.gz DCPPVTBBNZOCKV-KRWDZBQOSA-N 1 0 241.378 3.854 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000462324686 388266792 /nfs/dbraw/zinc/26/67/92/388266792.db2.gz DCPPVTBBNZOCKV-QGZVFWFLSA-N 1 0 241.378 3.854 20 30 BHEDRO CC#CCC[N@H+](Cc1ccc(C)s1)C(C)C ZINC000462324972 388266294 /nfs/dbraw/zinc/26/62/94/388266294.db2.gz MAPVLGVMAGQYBE-UHFFFAOYSA-N 1 0 235.396 3.680 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000462328313 388266822 /nfs/dbraw/zinc/26/68/22/388266822.db2.gz SRCQXDWDSNGJGE-KRWDZBQOSA-N 1 0 241.378 3.670 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000462328314 388266916 /nfs/dbraw/zinc/26/69/16/388266916.db2.gz SRCQXDWDSNGJGE-QGZVFWFLSA-N 1 0 241.378 3.670 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000462334680 384283818 /nfs/dbraw/zinc/28/38/18/384283818.db2.gz VCEDKHHPBGSZKR-QOHRORDFSA-N 1 0 239.362 3.578 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000462334681 384284992 /nfs/dbraw/zinc/28/49/92/384284992.db2.gz VCEDKHHPBGSZKR-UJGDBWEASA-N 1 0 239.362 3.578 20 30 BHEDRO CC#CCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000462447428 566437202 /nfs/dbraw/zinc/43/72/02/566437202.db2.gz ODKDCXWGHNDRSE-INIZCTEOSA-N 1 0 227.351 3.627 20 30 BHEDRO CC#CCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000462447429 566437182 /nfs/dbraw/zinc/43/71/82/566437182.db2.gz ODKDCXWGHNDRSE-MRXNPFEDSA-N 1 0 227.351 3.627 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000462479901 388268767 /nfs/dbraw/zinc/26/87/67/388268767.db2.gz ZMHXYHLIHVEFLC-INIZCTEOSA-N 1 0 241.378 3.506 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000462479903 388268227 /nfs/dbraw/zinc/26/82/27/388268227.db2.gz ZMHXYHLIHVEFLC-MRXNPFEDSA-N 1 0 241.378 3.506 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000462795096 388271553 /nfs/dbraw/zinc/27/15/53/388271553.db2.gz MZZFVMWGUIWVKH-CHWSQXEVSA-N 1 0 236.359 3.769 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000462795097 388271840 /nfs/dbraw/zinc/27/18/40/388271840.db2.gz MZZFVMWGUIWVKH-OLZOCXBDSA-N 1 0 236.359 3.769 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000462795098 388271539 /nfs/dbraw/zinc/27/15/39/388271539.db2.gz MZZFVMWGUIWVKH-QWHCGFSZSA-N 1 0 236.359 3.769 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000462795099 388272043 /nfs/dbraw/zinc/27/20/43/388272043.db2.gz MZZFVMWGUIWVKH-STQMWFEESA-N 1 0 236.359 3.769 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(C=C)cc1 ZINC000462806116 388271579 /nfs/dbraw/zinc/27/15/79/388271579.db2.gz VDXGLXRUGDVWOV-AWEZNQCLSA-N 1 0 229.367 3.816 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(C=C)cc1 ZINC000462806118 388271635 /nfs/dbraw/zinc/27/16/35/388271635.db2.gz VDXGLXRUGDVWOV-CQSZACIVSA-N 1 0 229.367 3.816 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@](C)(OC)C1CC1 ZINC000462820805 385146148 /nfs/dbraw/zinc/14/61/48/385146148.db2.gz ZHUYOSCNXZNSIT-CABCVRRESA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@](C)(OC)C1CC1 ZINC000462820806 385146336 /nfs/dbraw/zinc/14/63/36/385146336.db2.gz ZHUYOSCNXZNSIT-GJZGRUSLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000462820807 385146250 /nfs/dbraw/zinc/14/62/50/385146250.db2.gz ZHUYOSCNXZNSIT-HUUCEWRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000462820808 385145401 /nfs/dbraw/zinc/14/54/01/385145401.db2.gz ZHUYOSCNXZNSIT-LSDHHAIUSA-N 1 0 239.403 3.526 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)CC(C)(C)C ZINC000462824890 488042277 /nfs/dbraw/zinc/04/22/77/488042277.db2.gz GZWIDJCKYQZHSI-UHFFFAOYSA-N 1 0 244.382 3.735 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463070752 388276987 /nfs/dbraw/zinc/27/69/87/388276987.db2.gz HCTAIXXZOQZFMD-HOTGVXAUSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463084138 526979082 /nfs/dbraw/zinc/97/90/82/526979082.db2.gz NJFOICDIGPLJPC-IRXDYDNUSA-N 1 0 241.378 3.688 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463104434 259374800 /nfs/dbraw/zinc/37/48/00/259374800.db2.gz KBHQNEMMNVDCQJ-HOTGVXAUSA-N 1 0 229.367 3.688 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463201383 388088835 /nfs/dbraw/zinc/08/88/35/388088835.db2.gz DXMOQVAEXUQWGD-ULQDDVLXSA-N 1 0 241.378 3.831 20 30 BHEDRO CC1(C)CCC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000463244289 388090283 /nfs/dbraw/zinc/09/02/83/388090283.db2.gz GPDUEEXAZGSXSF-CABCVRRESA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCC(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000463244294 528905593 /nfs/dbraw/zinc/90/55/93/528905593.db2.gz GPDUEEXAZGSXSF-GJZGRUSLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000463244296 388089595 /nfs/dbraw/zinc/08/95/95/388089595.db2.gz GPDUEEXAZGSXSF-HUUCEWRRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000463244297 388090045 /nfs/dbraw/zinc/09/00/45/388090045.db2.gz GPDUEEXAZGSXSF-LSDHHAIUSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC1CCC(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000463281372 324150884 /nfs/dbraw/zinc/15/08/84/324150884.db2.gz HCKDYGPQBCZDHC-CKUJCDMFSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC1CCC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000463281373 324150867 /nfs/dbraw/zinc/15/08/67/324150867.db2.gz HCKDYGPQBCZDHC-FJBKBRRZSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC1CCC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000463281374 324150958 /nfs/dbraw/zinc/15/09/58/324150958.db2.gz HCKDYGPQBCZDHC-QDIHITRGSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC1CCC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000463281375 324150975 /nfs/dbraw/zinc/15/09/75/324150975.db2.gz HCKDYGPQBCZDHC-SSHXOBKSSA-N 1 0 248.414 3.875 20 30 BHEDRO CCCC[C@H](CC)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463285050 324150917 /nfs/dbraw/zinc/15/09/17/324150917.db2.gz SRJZQZMEYYTLBM-KKUMJFAQSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H](CC)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463285056 324150967 /nfs/dbraw/zinc/15/09/67/324150967.db2.gz SRJZQZMEYYTLBM-RRFJBIMHSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H](CC)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463285058 324150930 /nfs/dbraw/zinc/15/09/30/324150930.db2.gz SRJZQZMEYYTLBM-SOUVJXGZSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H](CC)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463285059 324150949 /nfs/dbraw/zinc/15/09/49/324150949.db2.gz SRJZQZMEYYTLBM-ZNMIVQPWSA-N 1 0 236.403 3.875 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000463291113 398013249 /nfs/dbraw/zinc/01/32/49/398013249.db2.gz YQJDECXWVOUWKM-CABCVRRESA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000463291118 398013188 /nfs/dbraw/zinc/01/31/88/398013188.db2.gz YQJDECXWVOUWKM-GJZGRUSLSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000463291120 398013150 /nfs/dbraw/zinc/01/31/50/398013150.db2.gz YQJDECXWVOUWKM-HUUCEWRRSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000463291122 256784923 /nfs/dbraw/zinc/78/49/23/256784923.db2.gz YQJDECXWVOUWKM-LSDHHAIUSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463297976 398012972 /nfs/dbraw/zinc/01/29/72/398012972.db2.gz AGNRZQNWKPLGJH-KBXIAJHMSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463297977 398013026 /nfs/dbraw/zinc/01/30/26/398013026.db2.gz AGNRZQNWKPLGJH-TUVASFSCSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463297978 529283011 /nfs/dbraw/zinc/28/30/11/529283011.db2.gz AGNRZQNWKPLGJH-XGUBFFRZSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463297979 398013174 /nfs/dbraw/zinc/01/31/74/398013174.db2.gz AGNRZQNWKPLGJH-YJNKXOJESA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000463302594 533841092 /nfs/dbraw/zinc/84/10/92/533841092.db2.gz PBDDVBYIHHXESS-FPCVCCKLSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000463302595 398012652 /nfs/dbraw/zinc/01/26/52/398012652.db2.gz PBDDVBYIHHXESS-KLHDSHLOSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000463302596 398012815 /nfs/dbraw/zinc/01/28/15/398012815.db2.gz PBDDVBYIHHXESS-LVQVYYBASA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000463302597 398012527 /nfs/dbraw/zinc/01/25/27/398012527.db2.gz PBDDVBYIHHXESS-WCVJEAGWSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[N@H+](CC#Cc1ccc(F)cc1)CC(C)(C)C ZINC000463357912 388091012 /nfs/dbraw/zinc/09/10/12/388091012.db2.gz BBSTXLSMHDKGKU-UHFFFAOYSA-N 1 0 247.357 3.545 20 30 BHEDRO C=CCC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463440358 388091414 /nfs/dbraw/zinc/09/14/14/388091414.db2.gz NQYQFWXQXVFTIA-MNOVXSKESA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463451188 526505904 /nfs/dbraw/zinc/50/59/04/526505904.db2.gz FSMGFCQVYDTQRB-MNOVXSKESA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463580115 527466146 /nfs/dbraw/zinc/46/61/46/527466146.db2.gz VIZWCOQFPPMCFU-BFHYXJOUSA-N 1 0 239.403 3.523 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000463580116 527465646 /nfs/dbraw/zinc/46/56/46/527465646.db2.gz VIZWCOQFPPMCFU-IHRRRGAJSA-N 1 0 239.403 3.523 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463580117 527465347 /nfs/dbraw/zinc/46/53/47/527465347.db2.gz VIZWCOQFPPMCFU-MELADBBJSA-N 1 0 239.403 3.523 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000463580118 527465907 /nfs/dbraw/zinc/46/59/07/527465907.db2.gz VIZWCOQFPPMCFU-MJBXVCDLSA-N 1 0 239.403 3.523 20 30 BHEDRO C=CCCC[N@@H+](CCC)CCc1cccs1 ZINC000464580972 388101539 /nfs/dbraw/zinc/10/15/39/388101539.db2.gz CUWGYYCHVVLVOF-UHFFFAOYSA-N 1 0 237.412 3.969 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000464724840 388102353 /nfs/dbraw/zinc/10/23/53/388102353.db2.gz KDVTYYVHURKEHT-DOMZBBRYSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464724841 388101870 /nfs/dbraw/zinc/10/18/70/388101870.db2.gz KDVTYYVHURKEHT-IUODEOHRSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464724842 388102529 /nfs/dbraw/zinc/10/25/29/388102529.db2.gz KDVTYYVHURKEHT-SWLSCSKDSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000464724843 388102194 /nfs/dbraw/zinc/10/21/94/388102194.db2.gz KDVTYYVHURKEHT-WFASDCNBSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000464728221 388102483 /nfs/dbraw/zinc/10/24/83/388102483.db2.gz XXSDRQPAKONECG-GOSISDBHSA-N 1 0 249.357 3.972 20 30 BHEDRO C=CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000464728222 388101836 /nfs/dbraw/zinc/10/18/36/388101836.db2.gz XXSDRQPAKONECG-SFHVURJKSA-N 1 0 249.357 3.972 20 30 BHEDRO C=CC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000464763082 388102923 /nfs/dbraw/zinc/10/29/23/388102923.db2.gz ZNMRPEMTDSOGTD-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=CC[N@@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464767454 388103470 /nfs/dbraw/zinc/10/34/70/388103470.db2.gz DDYWGZJLEBQAIB-INIZCTEOSA-N 1 0 249.373 3.901 20 30 BHEDRO C=CC[N@@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464767455 388103421 /nfs/dbraw/zinc/10/34/21/388103421.db2.gz DDYWGZJLEBQAIB-MRXNPFEDSA-N 1 0 249.373 3.901 20 30 BHEDRO CC#CC[N@@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000464778865 388103583 /nfs/dbraw/zinc/10/35/83/388103583.db2.gz SNBJRGDFJJVHCL-KRWDZBQOSA-N 1 0 241.378 3.854 20 30 BHEDRO CC#CC[N@@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000464778866 388103503 /nfs/dbraw/zinc/10/35/03/388103503.db2.gz SNBJRGDFJJVHCL-QGZVFWFLSA-N 1 0 241.378 3.854 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464786747 526506461 /nfs/dbraw/zinc/50/64/61/526506461.db2.gz QOXKETAVDNHAPC-INIZCTEOSA-N 1 0 249.373 3.901 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464786748 388103216 /nfs/dbraw/zinc/10/32/16/388103216.db2.gz QOXKETAVDNHAPC-MRXNPFEDSA-N 1 0 249.373 3.901 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464787043 388104006 /nfs/dbraw/zinc/10/40/06/388104006.db2.gz WHWDBRHWTYIUAZ-HNNXBMFYSA-N 1 0 235.346 3.511 20 30 BHEDRO C=CC[N@@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464787044 388102964 /nfs/dbraw/zinc/10/29/64/388102964.db2.gz WHWDBRHWTYIUAZ-OAHLLOKOSA-N 1 0 235.346 3.511 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464792948 388104097 /nfs/dbraw/zinc/10/40/97/388104097.db2.gz QLKFSSZVALVSNO-INIZCTEOSA-N 1 0 249.373 3.901 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464792949 388105038 /nfs/dbraw/zinc/10/50/38/388105038.db2.gz QLKFSSZVALVSNO-MRXNPFEDSA-N 1 0 249.373 3.901 20 30 BHEDRO CCCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464820850 388104623 /nfs/dbraw/zinc/10/46/23/388104623.db2.gz GMRBPHHYFZCQBY-CVEARBPZSA-N 1 0 242.366 3.558 20 30 BHEDRO CCCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464820851 388104953 /nfs/dbraw/zinc/10/49/53/388104953.db2.gz GMRBPHHYFZCQBY-HOTGVXAUSA-N 1 0 242.366 3.558 20 30 BHEDRO CCCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464820852 388105188 /nfs/dbraw/zinc/10/51/88/388105188.db2.gz GMRBPHHYFZCQBY-HZPDHXFCSA-N 1 0 242.366 3.558 20 30 BHEDRO CCCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464820853 388104161 /nfs/dbraw/zinc/10/41/61/388104161.db2.gz GMRBPHHYFZCQBY-JKSUJKDBSA-N 1 0 242.366 3.558 20 30 BHEDRO C=CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000464827117 388105148 /nfs/dbraw/zinc/10/51/48/388105148.db2.gz BEFQEZXLCQATEF-GXTWGEPZSA-N 1 0 233.355 3.801 20 30 BHEDRO C=CC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000464827118 388105156 /nfs/dbraw/zinc/10/51/56/388105156.db2.gz BEFQEZXLCQATEF-JSGCOSHPSA-N 1 0 233.355 3.801 20 30 BHEDRO C=CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC000464827119 388104258 /nfs/dbraw/zinc/10/42/58/388104258.db2.gz BEFQEZXLCQATEF-OCCSQVGLSA-N 1 0 233.355 3.801 20 30 BHEDRO C=CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000464827120 388104144 /nfs/dbraw/zinc/10/41/44/388104144.db2.gz BEFQEZXLCQATEF-TZMCWYRMSA-N 1 0 233.355 3.801 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464831440 388106295 /nfs/dbraw/zinc/10/62/95/388106295.db2.gz AZPKMFDQGCULER-GXTWGEPZSA-N 1 0 233.355 3.937 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000464831441 388106379 /nfs/dbraw/zinc/10/63/79/388106379.db2.gz AZPKMFDQGCULER-JSGCOSHPSA-N 1 0 233.355 3.937 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000464831442 388105538 /nfs/dbraw/zinc/10/55/38/388105538.db2.gz AZPKMFDQGCULER-OCCSQVGLSA-N 1 0 233.355 3.937 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464831443 388106398 /nfs/dbraw/zinc/10/63/98/388106398.db2.gz AZPKMFDQGCULER-TZMCWYRMSA-N 1 0 233.355 3.937 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@](C)(CCC)C1 ZINC000464844011 388106318 /nfs/dbraw/zinc/10/63/18/388106318.db2.gz BZWPZWQJKVIESL-AWEZNQCLSA-N 1 0 209.377 3.855 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000464844012 388105908 /nfs/dbraw/zinc/10/59/08/388105908.db2.gz BZWPZWQJKVIESL-CQSZACIVSA-N 1 0 209.377 3.855 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464851394 388105471 /nfs/dbraw/zinc/10/54/71/388105471.db2.gz GMXFFSYGXSVYGO-CHWSQXEVSA-N 1 0 219.328 3.629 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464851395 388105447 /nfs/dbraw/zinc/10/54/47/388105447.db2.gz GMXFFSYGXSVYGO-OLZOCXBDSA-N 1 0 219.328 3.629 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464851396 388106208 /nfs/dbraw/zinc/10/62/08/388106208.db2.gz GMXFFSYGXSVYGO-QWHCGFSZSA-N 1 0 219.328 3.629 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464851397 388106363 /nfs/dbraw/zinc/10/63/63/388106363.db2.gz GMXFFSYGXSVYGO-STQMWFEESA-N 1 0 219.328 3.629 20 30 BHEDRO CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)C[C@@H](C)C#N ZINC000464866290 388107624 /nfs/dbraw/zinc/10/76/24/388107624.db2.gz CLRVWHWJBROTKQ-ILXRZTDVSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)C[C@H](C)C#N ZINC000464866291 388107216 /nfs/dbraw/zinc/10/72/16/388107216.db2.gz CLRVWHWJBROTKQ-KFWWJZLASA-N 1 0 236.403 3.684 20 30 BHEDRO CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)C[C@@H](C)C#N ZINC000464866292 388107246 /nfs/dbraw/zinc/10/72/46/388107246.db2.gz CLRVWHWJBROTKQ-KKUMJFAQSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)C[C@H](C)C#N ZINC000464866293 388107293 /nfs/dbraw/zinc/10/72/93/388107293.db2.gz CLRVWHWJBROTKQ-ZNMIVQPWSA-N 1 0 236.403 3.684 20 30 BHEDRO C=C(C)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464875368 388107612 /nfs/dbraw/zinc/10/76/12/388107612.db2.gz KVWPNLDKHAYWSK-UHFFFAOYSA-N 1 0 245.341 3.881 20 30 BHEDRO C=CCCN(C)c1cc(C)[nH+]c2ccccc21 ZINC000466384005 527325008 /nfs/dbraw/zinc/32/50/08/527325008.db2.gz QHUFAIPXAPLDKR-UHFFFAOYSA-N 1 0 226.323 3.556 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000466384633 527053011 /nfs/dbraw/zinc/05/30/11/527053011.db2.gz UYFWLYFRAQFPIV-KEDPEKRHSA-N 1 0 233.330 3.783 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000466384634 388118046 /nfs/dbraw/zinc/11/80/46/388118046.db2.gz UYFWLYFRAQFPIV-PKYBCLHXSA-N 1 0 233.330 3.783 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000466384635 388117824 /nfs/dbraw/zinc/11/78/24/388117824.db2.gz UYFWLYFRAQFPIV-ZKKXHLJNSA-N 1 0 233.330 3.783 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000466384636 388117775 /nfs/dbraw/zinc/11/77/75/388117775.db2.gz UYFWLYFRAQFPIV-ZQMJAJRESA-N 1 0 233.330 3.783 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000466385712 388117846 /nfs/dbraw/zinc/11/78/46/388117846.db2.gz JADBCSDDEKKQEF-CYBMUJFWSA-N 1 0 246.329 3.751 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000466385713 388118005 /nfs/dbraw/zinc/11/80/05/388118005.db2.gz JADBCSDDEKKQEF-ZDUSSCGKSA-N 1 0 246.329 3.751 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccccc1C ZINC000466389443 388117690 /nfs/dbraw/zinc/11/76/90/388117690.db2.gz QWCSLJRPCSWZTN-GDBMZVCRSA-N 1 0 231.383 3.870 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccccc1C ZINC000466389444 388117933 /nfs/dbraw/zinc/11/79/33/388117933.db2.gz QWCSLJRPCSWZTN-GOEBONIOSA-N 1 0 231.383 3.870 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccccc1C ZINC000466389445 388118062 /nfs/dbraw/zinc/11/80/62/388118062.db2.gz QWCSLJRPCSWZTN-HOCLYGCPSA-N 1 0 231.383 3.870 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccccc1C ZINC000466389446 388117739 /nfs/dbraw/zinc/11/77/39/388117739.db2.gz QWCSLJRPCSWZTN-ZBFHGGJFSA-N 1 0 231.383 3.870 20 30 BHEDRO C=CCCN(C)c1cc[nH+]c2ccc(C)cc21 ZINC000466396201 388117682 /nfs/dbraw/zinc/11/76/82/388117682.db2.gz PKUFQHPOQOSMGO-UHFFFAOYSA-N 1 0 226.323 3.556 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@@H](CC)CC=C)c1 ZINC000466399880 388117735 /nfs/dbraw/zinc/11/77/35/388117735.db2.gz RSBCLUUCUWKSKL-HNNXBMFYSA-N 1 0 245.366 3.696 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@H](CC)CC=C)c1 ZINC000466399881 388117880 /nfs/dbraw/zinc/11/78/80/388117880.db2.gz RSBCLUUCUWKSKL-OAHLLOKOSA-N 1 0 245.366 3.696 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000466401751 527052615 /nfs/dbraw/zinc/05/26/15/527052615.db2.gz MQWXGDYPNIFYKZ-LLVKDONJSA-N 1 0 246.329 3.751 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000466401752 388118101 /nfs/dbraw/zinc/11/81/01/388118101.db2.gz MQWXGDYPNIFYKZ-NSHDSACASA-N 1 0 246.329 3.751 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C/C=C/c1ccccc1OC ZINC000466403214 527053783 /nfs/dbraw/zinc/05/37/83/527053783.db2.gz FODZXIBQDGUTKT-KUCQQTCKSA-N 1 0 245.366 3.653 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C/C=C\c1ccccc1OC ZINC000466403215 388117861 /nfs/dbraw/zinc/11/78/61/388117861.db2.gz FODZXIBQDGUTKT-MEODZPNASA-N 1 0 245.366 3.653 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C/C=C\c1ccccc1OC ZINC000466403232 388117808 /nfs/dbraw/zinc/11/78/08/388117808.db2.gz FODZXIBQDGUTKT-QIENPNARSA-N 1 0 245.366 3.653 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C/C=C/c1ccccc1OC ZINC000466403233 388117720 /nfs/dbraw/zinc/11/77/20/388117720.db2.gz FODZXIBQDGUTKT-SHQCLWGWSA-N 1 0 245.366 3.653 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000466406446 388118556 /nfs/dbraw/zinc/11/85/56/388118556.db2.gz WYBLDJCIVIBFHO-HRCADAONSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000466406447 388118302 /nfs/dbraw/zinc/11/83/02/388118302.db2.gz WYBLDJCIVIBFHO-OWCLPIDISA-N 1 0 229.367 3.734 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000466406448 388118327 /nfs/dbraw/zinc/11/83/27/388118327.db2.gz WYBLDJCIVIBFHO-PMPSAXMXSA-N 1 0 229.367 3.734 20 30 BHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000466656428 388120531 /nfs/dbraw/zinc/12/05/31/388120531.db2.gz AXHUNPPLNYLPIQ-BETUJISGSA-N 1 0 247.769 3.564 20 30 BHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC#Cc1ccc(Cl)cc1 ZINC000466656431 388120252 /nfs/dbraw/zinc/12/02/52/388120252.db2.gz AXHUNPPLNYLPIQ-CHWSQXEVSA-N 1 0 247.769 3.564 20 30 BHEDRO C[C@H]1CC[C@H](C)[NH+]1CC#Cc1ccc(Cl)cc1 ZINC000466656433 388120596 /nfs/dbraw/zinc/12/05/96/388120596.db2.gz AXHUNPPLNYLPIQ-STQMWFEESA-N 1 0 247.769 3.564 20 30 BHEDRO C=CC[N@H+](CC/C=C/CC)CCc1ccco1 ZINC000467177554 527592960 /nfs/dbraw/zinc/59/29/60/527592960.db2.gz VYYOWOSDOKKODB-AATRIKPKSA-N 1 0 233.355 3.666 20 30 BHEDRO C=CC[N@H+](CC/C=C\CC)CCc1ccco1 ZINC000467177555 527593104 /nfs/dbraw/zinc/59/31/04/527593104.db2.gz VYYOWOSDOKKODB-WAYWQWQTSA-N 1 0 233.355 3.666 20 30 BHEDRO C=CC[N@H+](C[C@@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000467190267 526330382 /nfs/dbraw/zinc/33/03/82/526330382.db2.gz FUDWXNRYTHJAOQ-HNNXBMFYSA-N 1 0 249.398 3.519 20 30 BHEDRO C=CC[N@H+](C[C@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000467190268 526330117 /nfs/dbraw/zinc/33/01/17/526330117.db2.gz FUDWXNRYTHJAOQ-OAHLLOKOSA-N 1 0 249.398 3.519 20 30 BHEDRO C=C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000467193585 526902592 /nfs/dbraw/zinc/90/25/92/526902592.db2.gz ZTDQOMUVPNYJSU-HNNXBMFYSA-N 1 0 249.398 3.520 20 30 BHEDRO C=C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000467193586 526905070 /nfs/dbraw/zinc/90/50/70/526905070.db2.gz ZTDQOMUVPNYJSU-OAHLLOKOSA-N 1 0 249.398 3.520 20 30 BHEDRO C=CC[NH+](CC=C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000467201984 527641942 /nfs/dbraw/zinc/64/19/42/527641942.db2.gz PLRMHCDIUBRSTF-HNNXBMFYSA-N 1 0 249.398 3.542 20 30 BHEDRO C=CC[NH+](CC=C)C[C@H]1CCC2(CCCCC2)O1 ZINC000467201985 527642059 /nfs/dbraw/zinc/64/20/59/527642059.db2.gz PLRMHCDIUBRSTF-OAHLLOKOSA-N 1 0 249.398 3.542 20 30 BHEDRO C=CCC[N@@H+](C)CCc1c(F)cccc1Cl ZINC000467282835 527320414 /nfs/dbraw/zinc/32/04/14/527320414.db2.gz DOGSXCBHKZJNNC-UHFFFAOYSA-N 1 0 241.737 3.530 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccccc1OCC(C)C ZINC000467284031 527323020 /nfs/dbraw/zinc/32/30/20/527323020.db2.gz NWIORFGENPXYPF-UHFFFAOYSA-N 1 0 247.382 3.729 20 30 BHEDRO C=CCC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000467284301 527324555 /nfs/dbraw/zinc/32/45/55/527324555.db2.gz PVEFAIQBKIZWHM-HNNXBMFYSA-N 1 0 233.330 3.711 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000467284302 527324306 /nfs/dbraw/zinc/32/43/06/527324306.db2.gz PVEFAIQBKIZWHM-OAHLLOKOSA-N 1 0 233.330 3.711 20 30 BHEDRO C=CCC[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000467284951 527321434 /nfs/dbraw/zinc/32/14/34/527321434.db2.gz AIFMLPPKYXSBFP-UHFFFAOYSA-N 1 0 237.774 3.781 20 30 BHEDRO C=CCC[N@@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000467285049 527320123 /nfs/dbraw/zinc/32/01/23/527320123.db2.gz BEVMHTKPEDDMGJ-UHFFFAOYSA-N 1 0 249.320 3.863 20 30 BHEDRO C=CCC[N@H+](C)CCCc1ccccc1Cl ZINC000467285800 527321613 /nfs/dbraw/zinc/32/16/13/527321613.db2.gz LIKBGOOMQAADNY-UHFFFAOYSA-N 1 0 237.774 3.781 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1F ZINC000467286394 527324110 /nfs/dbraw/zinc/32/41/10/527324110.db2.gz UQXGSAFKPSMGJR-AWEZNQCLSA-N 1 0 239.309 3.924 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](CC)c1ccc(F)cc1F ZINC000467286395 527323611 /nfs/dbraw/zinc/32/36/11/527323611.db2.gz UQXGSAFKPSMGJR-CQSZACIVSA-N 1 0 239.309 3.924 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC000467288808 527324665 /nfs/dbraw/zinc/32/46/65/527324665.db2.gz KBSUYYGRUWWSSW-CYBMUJFWSA-N 1 0 203.329 3.564 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000467288816 527323906 /nfs/dbraw/zinc/32/39/06/527323906.db2.gz KBSUYYGRUWWSSW-ZDUSSCGKSA-N 1 0 203.329 3.564 20 30 BHEDRO C=CCC[N@H+](C)CCCSCc1ccccc1 ZINC000467289157 527321155 /nfs/dbraw/zinc/32/11/55/527321155.db2.gz MAFGZHNLDVLOCT-UHFFFAOYSA-N 1 0 249.423 3.818 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cc2ccccc2s1 ZINC000467292474 527320183 /nfs/dbraw/zinc/32/01/83/527320183.db2.gz BILHJBWQDVVAES-UHFFFAOYSA-N 1 0 231.364 3.909 20 30 BHEDRO C=CCC[N@@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000467293506 527324977 /nfs/dbraw/zinc/32/49/77/527324977.db2.gz LARFBOHEFQFZCO-AWEZNQCLSA-N 1 0 235.758 3.835 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000467293507 527324087 /nfs/dbraw/zinc/32/40/87/527324087.db2.gz LARFBOHEFQFZCO-CQSZACIVSA-N 1 0 235.758 3.835 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)cc1C ZINC000467295198 527321076 /nfs/dbraw/zinc/32/10/76/527321076.db2.gz KGRWQNSOHQWKLS-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO C=CCC[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000467296884 527319748 /nfs/dbraw/zinc/31/97/48/527319748.db2.gz BPDJWIUQIHDBCJ-UHFFFAOYSA-N 1 0 239.362 3.890 20 30 BHEDRO C=CCC[N@@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000467298954 527324278 /nfs/dbraw/zinc/32/42/78/527324278.db2.gz QNTWQUPZINCBGV-AWEZNQCLSA-N 1 0 235.758 3.835 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000467298955 527324563 /nfs/dbraw/zinc/32/45/63/527324563.db2.gz QNTWQUPZINCBGV-CQSZACIVSA-N 1 0 235.758 3.835 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000467366716 527320071 /nfs/dbraw/zinc/32/00/71/527320071.db2.gz AVBMTXSGZSHBJI-UHFFFAOYSA-N 1 0 241.334 3.955 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000467369431 527320148 /nfs/dbraw/zinc/32/01/48/527320148.db2.gz KVACWVGHTLATRZ-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000467369947 527319599 /nfs/dbraw/zinc/31/95/99/527319599.db2.gz NGQLIPKPEKOQKZ-UHFFFAOYSA-N 1 0 242.366 3.793 20 30 BHEDRO C=CCC[N@@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000467371032 527318299 /nfs/dbraw/zinc/31/82/99/527318299.db2.gz SHKCGHXXTBIURV-AATRIKPKSA-N 1 0 235.758 3.861 20 30 BHEDRO C=CCC[N@@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000467371033 527318938 /nfs/dbraw/zinc/31/89/38/527318938.db2.gz SHKCGHXXTBIURV-WAYWQWQTSA-N 1 0 235.758 3.861 20 30 BHEDRO C=CCC[N@@H+](C)C[C@H](CC)c1ccccc1 ZINC000467373493 527320235 /nfs/dbraw/zinc/32/02/35/527320235.db2.gz MVQJZMMSGHAZPY-AWEZNQCLSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CCC[N@@H+](C)C[C@@H](CC)c1ccccc1 ZINC000467373494 527319774 /nfs/dbraw/zinc/31/97/74/527319774.db2.gz MVQJZMMSGHAZPY-CQSZACIVSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000467374210 527320763 /nfs/dbraw/zinc/32/07/63/527320763.db2.gz VCIPWWMBDJQBLZ-UHFFFAOYSA-N 1 0 217.356 3.620 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(OCC(C)C)cc1 ZINC000467382215 527321203 /nfs/dbraw/zinc/32/12/03/527321203.db2.gz OIFVGZARPWCAHG-UHFFFAOYSA-N 1 0 247.382 3.729 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000467383554 527324430 /nfs/dbraw/zinc/32/44/30/527324430.db2.gz FHJHAIYURSOOKU-CYBMUJFWSA-N 1 0 235.346 3.655 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000467383555 527324648 /nfs/dbraw/zinc/32/46/48/527324648.db2.gz FHJHAIYURSOOKU-ZDUSSCGKSA-N 1 0 235.346 3.655 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cccc(OCC(C)C)c1 ZINC000467384389 527322589 /nfs/dbraw/zinc/32/25/89/527322589.db2.gz WEYZACBBXGTXSA-UHFFFAOYSA-N 1 0 247.382 3.729 20 30 BHEDRO C=CCC[N@H+](C)CCCCCOc1ccccc1 ZINC000467388368 527319962 /nfs/dbraw/zinc/31/99/62/527319962.db2.gz KVRJENCNXZTHAO-UHFFFAOYSA-N 1 0 247.382 3.744 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000467389507 527321567 /nfs/dbraw/zinc/32/15/67/527321567.db2.gz QPTMKTBLBYHSQY-UHFFFAOYSA-N 1 0 242.366 3.793 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cccn1CCC(C)C ZINC000467389601 527322432 /nfs/dbraw/zinc/32/24/32/527322432.db2.gz RDHWPLQPNCFTDU-UHFFFAOYSA-N 1 0 234.387 3.542 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2c1cccc2OC ZINC000467401470 527054725 /nfs/dbraw/zinc/05/47/25/527054725.db2.gz AHWIGVMSBMQHOE-DOMZBBRYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000467401471 527054658 /nfs/dbraw/zinc/05/46/58/527054658.db2.gz AHWIGVMSBMQHOE-IUODEOHRSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000467401472 527164977 /nfs/dbraw/zinc/16/49/77/527164977.db2.gz AHWIGVMSBMQHOE-SWLSCSKDSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2c1cccc2OC ZINC000467401473 527164938 /nfs/dbraw/zinc/16/49/38/527164938.db2.gz AHWIGVMSBMQHOE-WFASDCNBSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000467403056 527164668 /nfs/dbraw/zinc/16/46/68/527164668.db2.gz GTAFBWZFHYLKDL-BPUTZDHNSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000467403057 527163348 /nfs/dbraw/zinc/16/33/48/527163348.db2.gz GTAFBWZFHYLKDL-CWRNSKLLSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000467403058 527165151 /nfs/dbraw/zinc/16/51/51/527165151.db2.gz GTAFBWZFHYLKDL-KBMXLJTQSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000467403059 527164510 /nfs/dbraw/zinc/16/45/10/527164510.db2.gz GTAFBWZFHYLKDL-VNQPRFMTSA-N 1 0 247.382 3.707 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2c1cccc2C ZINC000467404374 527164957 /nfs/dbraw/zinc/16/49/57/527164957.db2.gz KDWYQVMUAILAMW-BBRMVZONSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2c1cccc2C ZINC000467404376 527054901 /nfs/dbraw/zinc/05/49/01/527054901.db2.gz KDWYQVMUAILAMW-CJNGLKHVSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2c1cccc2C ZINC000467404377 527055290 /nfs/dbraw/zinc/05/52/90/527055290.db2.gz KDWYQVMUAILAMW-CZUORRHYSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2c1cccc2C ZINC000467404379 527164438 /nfs/dbraw/zinc/16/44/38/527164438.db2.gz KDWYQVMUAILAMW-XJKSGUPXSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000467407994 527164986 /nfs/dbraw/zinc/16/49/86/527164986.db2.gz VRJMXCMWSCOOPT-KBPBESRZSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000467407995 527164793 /nfs/dbraw/zinc/16/47/93/527164793.db2.gz VRJMXCMWSCOOPT-KGLIPLIRSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000467407996 527054596 /nfs/dbraw/zinc/05/45/96/527054596.db2.gz VRJMXCMWSCOOPT-UONOGXRCSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000467407997 527054644 /nfs/dbraw/zinc/05/46/44/527054644.db2.gz VRJMXCMWSCOOPT-ZIAGYGMSSA-N 1 0 246.398 3.758 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000467411051 527164646 /nfs/dbraw/zinc/16/46/46/527164646.db2.gz LZYGZMYLLKHNPL-BFHYXJOUSA-N 1 0 239.403 3.523 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000467411052 527164564 /nfs/dbraw/zinc/16/45/64/527164564.db2.gz LZYGZMYLLKHNPL-IHRRRGAJSA-N 1 0 239.403 3.523 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000467411053 527164542 /nfs/dbraw/zinc/16/45/42/527164542.db2.gz LZYGZMYLLKHNPL-MELADBBJSA-N 1 0 239.403 3.523 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000467411054 527164552 /nfs/dbraw/zinc/16/45/52/527164552.db2.gz LZYGZMYLLKHNPL-MJBXVCDLSA-N 1 0 239.403 3.523 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ncccc1CC ZINC000467414950 527055147 /nfs/dbraw/zinc/05/51/47/527055147.db2.gz XGGVMJWBNLDZNE-GXTWGEPZSA-N 1 0 232.371 3.649 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ncccc1CC ZINC000467414951 527164817 /nfs/dbraw/zinc/16/48/17/527164817.db2.gz XGGVMJWBNLDZNE-JSGCOSHPSA-N 1 0 232.371 3.649 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ncccc1CC ZINC000467414952 527165129 /nfs/dbraw/zinc/16/51/29/527165129.db2.gz XGGVMJWBNLDZNE-OCCSQVGLSA-N 1 0 232.371 3.649 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ncccc1CC ZINC000467414953 527054760 /nfs/dbraw/zinc/05/47/60/527054760.db2.gz XGGVMJWBNLDZNE-TZMCWYRMSA-N 1 0 232.371 3.649 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000467417962 527164877 /nfs/dbraw/zinc/16/48/77/527164877.db2.gz KWRCWFLSQWGDEW-AAEUAGOBSA-N 1 0 246.329 3.703 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000467417963 527054575 /nfs/dbraw/zinc/05/45/75/527054575.db2.gz KWRCWFLSQWGDEW-DGCLKSJQSA-N 1 0 246.329 3.703 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000467417964 527055088 /nfs/dbraw/zinc/05/50/88/527055088.db2.gz KWRCWFLSQWGDEW-WCQYABFASA-N 1 0 246.329 3.703 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000467417965 527164307 /nfs/dbraw/zinc/16/43/07/527164307.db2.gz KWRCWFLSQWGDEW-YPMHNXCESA-N 1 0 246.329 3.703 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467434312 527842783 /nfs/dbraw/zinc/84/27/83/527842783.db2.gz USFGEXQVCWIQLL-AWEZNQCLSA-N 1 0 244.382 3.515 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467434315 527805646 /nfs/dbraw/zinc/80/56/46/527805646.db2.gz USFGEXQVCWIQLL-CQSZACIVSA-N 1 0 244.382 3.515 20 30 BHEDRO CCCC[C@H](CC)[NH2+]CCc1cccc(C#N)c1 ZINC000467436412 528915165 /nfs/dbraw/zinc/91/51/65/528915165.db2.gz BQKOMHWPODTFOP-INIZCTEOSA-N 1 0 244.382 3.659 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]CCc1cccc(C#N)c1 ZINC000467436413 528782792 /nfs/dbraw/zinc/78/27/92/528782792.db2.gz BQKOMHWPODTFOP-MRXNPFEDSA-N 1 0 244.382 3.659 20 30 BHEDRO CCCC(CCC)[NH2+]CCc1cccc(C#N)c1 ZINC000467447455 528000507 /nfs/dbraw/zinc/00/05/07/528000507.db2.gz HZIWAKOQSCJJGC-UHFFFAOYSA-N 1 0 244.382 3.659 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000467511353 527052681 /nfs/dbraw/zinc/05/26/81/527052681.db2.gz CQLSIUJFQMMRBR-GDBMZVCRSA-N 1 0 231.383 3.810 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000467511354 527052419 /nfs/dbraw/zinc/05/24/19/527052419.db2.gz CQLSIUJFQMMRBR-GOEBONIOSA-N 1 0 231.383 3.810 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000467511355 527162289 /nfs/dbraw/zinc/16/22/89/527162289.db2.gz CQLSIUJFQMMRBR-HOCLYGCPSA-N 1 0 231.383 3.810 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000467511356 527162282 /nfs/dbraw/zinc/16/22/82/527162282.db2.gz CQLSIUJFQMMRBR-ZBFHGGJFSA-N 1 0 231.383 3.810 20 30 BHEDRO C=CC[C@H](CC)[NH2+]CCSCc1ccccc1 ZINC000467518610 527162401 /nfs/dbraw/zinc/16/24/01/527162401.db2.gz AUJMEZHQXAYPDW-HNNXBMFYSA-N 1 0 249.423 3.864 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]CCSCc1ccccc1 ZINC000467518611 527053871 /nfs/dbraw/zinc/05/38/71/527053871.db2.gz AUJMEZHQXAYPDW-OAHLLOKOSA-N 1 0 249.423 3.864 20 30 BHEDRO C=CC[C@H](CC)[NH2+]CCCCOc1ccccc1 ZINC000467523025 527162503 /nfs/dbraw/zinc/16/25/03/527162503.db2.gz OYHZJBXDVAMLRU-HNNXBMFYSA-N 1 0 247.382 3.790 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]CCCCOc1ccccc1 ZINC000467523026 527053092 /nfs/dbraw/zinc/05/30/92/527053092.db2.gz OYHZJBXDVAMLRU-OAHLLOKOSA-N 1 0 247.382 3.790 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000467524386 527162212 /nfs/dbraw/zinc/16/22/12/527162212.db2.gz YHROTNQMGMKZQS-DOMZBBRYSA-N 1 0 235.346 3.874 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000467524387 527052886 /nfs/dbraw/zinc/05/28/86/527052886.db2.gz YHROTNQMGMKZQS-IUODEOHRSA-N 1 0 235.346 3.874 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000467524388 527053215 /nfs/dbraw/zinc/05/32/15/527053215.db2.gz YHROTNQMGMKZQS-SWLSCSKDSA-N 1 0 235.346 3.874 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000467524389 527162763 /nfs/dbraw/zinc/16/27/63/527162763.db2.gz YHROTNQMGMKZQS-WFASDCNBSA-N 1 0 235.346 3.874 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000468048197 527467146 /nfs/dbraw/zinc/46/71/46/527467146.db2.gz FQRRGQDFBPIXBX-GXTWGEPZSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000468048198 527467010 /nfs/dbraw/zinc/46/70/10/527467010.db2.gz FQRRGQDFBPIXBX-JSGCOSHPSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000468048199 527426681 /nfs/dbraw/zinc/42/66/81/527426681.db2.gz FQRRGQDFBPIXBX-OCCSQVGLSA-N 1 0 249.329 3.594 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000468048200 527427240 /nfs/dbraw/zinc/42/72/40/527427240.db2.gz FQRRGQDFBPIXBX-TZMCWYRMSA-N 1 0 249.329 3.594 20 30 BHEDRO CC[C@@]1(C)CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000468138304 529528060 /nfs/dbraw/zinc/52/80/60/529528060.db2.gz MHZJAXJMRPTYLV-BBRMVZONSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@@]1(C)CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000468138305 529527903 /nfs/dbraw/zinc/52/79/03/529527903.db2.gz MHZJAXJMRPTYLV-CJNGLKHVSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@]1(C)CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000468138306 529401133 /nfs/dbraw/zinc/40/11/33/529401133.db2.gz MHZJAXJMRPTYLV-CZUORRHYSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@]1(C)CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000468138307 529401106 /nfs/dbraw/zinc/40/11/06/529401106.db2.gz MHZJAXJMRPTYLV-XJKSGUPXSA-N 1 0 242.366 3.741 20 30 BHEDRO C=C1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000468391011 526905204 /nfs/dbraw/zinc/90/52/04/526905204.db2.gz AVGMKQRMBPNUCB-UHFFFAOYSA-N 1 0 235.758 3.800 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000468474443 529301125 /nfs/dbraw/zinc/30/11/25/529301125.db2.gz FXPBLEYIZLCJJB-KFWWJZLASA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000468474444 529301456 /nfs/dbraw/zinc/30/14/56/529301456.db2.gz FXPBLEYIZLCJJB-RBSFLKMASA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000468474445 529301171 /nfs/dbraw/zinc/30/11/71/529301171.db2.gz FXPBLEYIZLCJJB-RRFJBIMHSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000468474446 529301095 /nfs/dbraw/zinc/30/10/95/529301095.db2.gz FXPBLEYIZLCJJB-ZNMIVQPWSA-N 1 0 236.403 3.873 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(Cl)cc1C)C1CC1 ZINC000468482740 526334461 /nfs/dbraw/zinc/33/44/61/526334461.db2.gz GCKJICZBMOYUJN-UHFFFAOYSA-N 1 0 235.758 3.799 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(Cl)cc1C ZINC000468519925 526501494 /nfs/dbraw/zinc/50/14/94/526501494.db2.gz XQKIUBQBJKIDFW-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO C=CC[N@@H+](CC)[C@@H](CC)Cc1ccccc1 ZINC000469072103 527593258 /nfs/dbraw/zinc/59/32/58/527593258.db2.gz SNPLQEIATHEMQQ-HNNXBMFYSA-N 1 0 217.356 3.516 20 30 BHEDRO C=CC[N@@H+](CC)[C@H](CC)Cc1ccccc1 ZINC000469072181 527592694 /nfs/dbraw/zinc/59/26/94/527592694.db2.gz SNPLQEIATHEMQQ-OAHLLOKOSA-N 1 0 217.356 3.516 20 30 BHEDRO C=CC[C@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000469185966 527138141 /nfs/dbraw/zinc/13/81/41/527138141.db2.gz ZFQHSWOEPFAGCK-AWEZNQCLSA-N 1 0 231.383 3.907 20 30 BHEDRO C=CC[C@@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000469186060 527031782 /nfs/dbraw/zinc/03/17/82/527031782.db2.gz ZFQHSWOEPFAGCK-CQSZACIVSA-N 1 0 231.383 3.907 20 30 BHEDRO C=CC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469445696 526414777 /nfs/dbraw/zinc/41/47/77/526414777.db2.gz FWEFCJHFWLJWRP-UHFFFAOYSA-N 1 0 249.304 3.630 20 30 BHEDRO CC1(C)CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC000469976449 528913813 /nfs/dbraw/zinc/91/38/13/528913813.db2.gz XTJHOIDYHTZQMF-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000469993315 526854603 /nfs/dbraw/zinc/85/46/03/526854603.db2.gz SWDDZZPAGGULES-JTQLQIEISA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000469993316 526852698 /nfs/dbraw/zinc/85/26/98/526852698.db2.gz SWDDZZPAGGULES-SNVBAGLBSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000470009146 527199624 /nfs/dbraw/zinc/19/96/24/527199624.db2.gz MMKDHUNVTVHRHG-JTQLQIEISA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470009147 527198227 /nfs/dbraw/zinc/19/82/27/527198227.db2.gz MMKDHUNVTVHRHG-SNVBAGLBSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCOCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000470715469 526761301 /nfs/dbraw/zinc/76/13/01/526761301.db2.gz FNFCXPNPBNVNKP-INIZCTEOSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000470715471 526759771 /nfs/dbraw/zinc/75/97/71/526759771.db2.gz FNFCXPNPBNVNKP-MRXNPFEDSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCOCCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000470715892 526748634 /nfs/dbraw/zinc/74/86/34/526748634.db2.gz JQGSKOVFAATLHV-HNNXBMFYSA-N 1 0 247.382 3.581 20 30 BHEDRO C=CCOCCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC000470715898 526747538 /nfs/dbraw/zinc/74/75/38/526747538.db2.gz JQGSKOVFAATLHV-OAHLLOKOSA-N 1 0 247.382 3.581 20 30 BHEDRO C=CCOCCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000470720502 526747476 /nfs/dbraw/zinc/74/74/76/526747476.db2.gz VQWDCILJHCLMKG-HNNXBMFYSA-N 1 0 247.382 3.581 20 30 BHEDRO C=CCOCCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000470720503 526747461 /nfs/dbraw/zinc/74/74/61/526747461.db2.gz VQWDCILJHCLMKG-OAHLLOKOSA-N 1 0 247.382 3.581 20 30 BHEDRO C=CC[NH+](CC=C)Cc1cccc(C(F)F)c1 ZINC000470721605 527643565 /nfs/dbraw/zinc/64/35/65/527643565.db2.gz CZAFDJOGWNRTKH-UHFFFAOYSA-N 1 0 237.293 3.798 20 30 BHEDRO C=CCOCCC[N@@H+](C(C)C)C1CCCCC1 ZINC000470759581 526745858 /nfs/dbraw/zinc/74/58/58/526745858.db2.gz HKMGJUASDIHEDA-UHFFFAOYSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000470759704 526759829 /nfs/dbraw/zinc/75/98/29/526759829.db2.gz JCPMDTJDWLGLJO-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000470759705 526760407 /nfs/dbraw/zinc/76/04/07/526760407.db2.gz JCPMDTJDWLGLJO-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000470766748 526759705 /nfs/dbraw/zinc/75/97/05/526759705.db2.gz RNSYAFDOUQURMN-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000470766749 526760973 /nfs/dbraw/zinc/76/09/73/526760973.db2.gz RNSYAFDOUQURMN-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000470773510 526760648 /nfs/dbraw/zinc/76/06/48/526760648.db2.gz OOVNSJUATHFWAG-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000470773511 526760335 /nfs/dbraw/zinc/76/03/35/526760335.db2.gz OOVNSJUATHFWAG-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[N@H+]1CCC[C@@H]1CCCCC ZINC000470774403 526753751 /nfs/dbraw/zinc/75/37/51/526753751.db2.gz TVFCJPRODLUPTR-HNNXBMFYSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCOCCC[N@H+]1CCC[C@H]1CCCCC ZINC000470774404 526754460 /nfs/dbraw/zinc/75/44/60/526754460.db2.gz TVFCJPRODLUPTR-OAHLLOKOSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000470777077 526760503 /nfs/dbraw/zinc/76/05/03/526760503.db2.gz QJJAPVLJKXSWMF-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000470777078 526760618 /nfs/dbraw/zinc/76/06/18/526760618.db2.gz QJJAPVLJKXSWMF-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000470777366 526760078 /nfs/dbraw/zinc/76/00/78/526760078.db2.gz VAPCIBXASVHLNI-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000470777367 526760082 /nfs/dbraw/zinc/76/00/82/526760082.db2.gz VAPCIBXASVHLNI-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H]1CCCC ZINC000470778233 526760967 /nfs/dbraw/zinc/76/09/67/526760967.db2.gz FAOXTGGSFCRCNE-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000470778234 526761570 /nfs/dbraw/zinc/76/15/70/526761570.db2.gz FAOXTGGSFCRCNE-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000470778235 526759620 /nfs/dbraw/zinc/75/96/20/526759620.db2.gz FAOXTGGSFCRCNE-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000470778236 526760514 /nfs/dbraw/zinc/76/05/14/526760514.db2.gz FAOXTGGSFCRCNE-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)C[N@@H+](CCCSC)Cc1ccccc1 ZINC000470914653 526551075 /nfs/dbraw/zinc/55/10/75/526551075.db2.gz COUYHAQLOKPKIN-UHFFFAOYSA-N 1 0 249.423 3.818 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000470995327 526309728 /nfs/dbraw/zinc/30/97/28/526309728.db2.gz HUMXQNYXINYILO-INIZCTEOSA-N 1 0 241.378 3.506 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000470995329 526309947 /nfs/dbraw/zinc/30/99/47/526309947.db2.gz HUMXQNYXINYILO-MRXNPFEDSA-N 1 0 241.378 3.506 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1ccccc1SC ZINC000471008261 526850738 /nfs/dbraw/zinc/85/07/38/526850738.db2.gz PPPQEEHOWDKXDZ-UHFFFAOYSA-N 1 0 235.396 3.807 20 30 BHEDRO CCC(C)(C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000471018343 528537924 /nfs/dbraw/zinc/53/79/24/528537924.db2.gz NEMYLZIWZUUQDA-UHFFFAOYSA-N 1 0 249.785 3.812 20 30 BHEDRO CCC(C)(C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000471021098 528537605 /nfs/dbraw/zinc/53/76/05/528537605.db2.gz IIMDMCUSNKILQI-UHFFFAOYSA-N 1 0 249.785 3.812 20 30 BHEDRO CCC(C)(C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000471079774 528538914 /nfs/dbraw/zinc/53/89/14/528538914.db2.gz DIUYQNSZZLSSDO-UHFFFAOYSA-N 1 0 249.785 3.812 20 30 BHEDRO CC(C)CC(CC(C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000471581889 527682940 /nfs/dbraw/zinc/68/29/40/527682940.db2.gz RMIHXNCARNNWQZ-KBPBESRZSA-N 1 0 236.403 3.729 20 30 BHEDRO CC(C)CC(CC(C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000471581890 527682815 /nfs/dbraw/zinc/68/28/15/527682815.db2.gz RMIHXNCARNNWQZ-KGLIPLIRSA-N 1 0 236.403 3.729 20 30 BHEDRO CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000471581891 527682674 /nfs/dbraw/zinc/68/26/74/527682674.db2.gz RMIHXNCARNNWQZ-ZIAGYGMSSA-N 1 0 236.403 3.729 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000471588705 527169537 /nfs/dbraw/zinc/16/95/37/527169537.db2.gz YSUNTXSRWWCCHJ-HNNXBMFYSA-N 1 0 231.383 3.872 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)Cc1ccccc1C ZINC000471588706 527171104 /nfs/dbraw/zinc/17/11/04/527171104.db2.gz YSUNTXSRWWCCHJ-OAHLLOKOSA-N 1 0 231.383 3.872 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000471590761 527169622 /nfs/dbraw/zinc/16/96/22/527169622.db2.gz OKZRFAVOKMPIAM-AWEZNQCLSA-N 1 0 232.371 3.869 20 30 BHEDRO C=CCCCC[NH2+][C@H](CCC)c1ccccn1 ZINC000471590762 527171109 /nfs/dbraw/zinc/17/11/09/527171109.db2.gz OKZRFAVOKMPIAM-CQSZACIVSA-N 1 0 232.371 3.869 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000471591778 225065919 /nfs/dbraw/zinc/06/59/19/225065919.db2.gz ZYSGJLNPZVNSDK-DGADGQDISA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000471591779 225066218 /nfs/dbraw/zinc/06/62/18/225066218.db2.gz ZYSGJLNPZVNSDK-DGXTUMSLSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000471591780 225066383 /nfs/dbraw/zinc/06/63/83/225066383.db2.gz ZYSGJLNPZVNSDK-OLMNGRFOSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000471591781 225066413 /nfs/dbraw/zinc/06/64/13/225066413.db2.gz ZYSGJLNPZVNSDK-RBGFHDKUSA-N 1 0 246.398 3.627 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000471593150 527170385 /nfs/dbraw/zinc/17/03/85/527170385.db2.gz JAKPQCBHZRIUOO-AWEZNQCLSA-N 1 0 246.398 3.760 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000471593151 527170868 /nfs/dbraw/zinc/17/08/68/527170868.db2.gz JAKPQCBHZRIUOO-CQSZACIVSA-N 1 0 246.398 3.760 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000471594925 527171196 /nfs/dbraw/zinc/17/11/96/527171196.db2.gz RKMLYKFBQHCWJC-GFCCVEGCSA-N 1 0 246.329 3.704 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000471594929 527169561 /nfs/dbraw/zinc/16/95/61/527169561.db2.gz RKMLYKFBQHCWJC-LBPRGKRZSA-N 1 0 246.329 3.704 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000471597525 528690105 /nfs/dbraw/zinc/69/01/05/528690105.db2.gz FJWJPICYSOWFDW-FZKCQIBNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000471597526 528691058 /nfs/dbraw/zinc/69/10/58/528691058.db2.gz FJWJPICYSOWFDW-LVQVYYBASA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000471597527 528690320 /nfs/dbraw/zinc/69/03/20/528690320.db2.gz FJWJPICYSOWFDW-WCVJEAGWSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000471597528 528690166 /nfs/dbraw/zinc/69/01/66/528690166.db2.gz FJWJPICYSOWFDW-XUWVNRHRSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000471598323 527170488 /nfs/dbraw/zinc/17/04/88/527170488.db2.gz VSZJEEATBILJHM-KRWDZBQOSA-N 1 0 243.394 3.954 20 30 BHEDRO C=CCCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000471598324 527171732 /nfs/dbraw/zinc/17/17/32/527171732.db2.gz VSZJEEATBILJHM-QGZVFWFLSA-N 1 0 243.394 3.954 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000471598407 527171331 /nfs/dbraw/zinc/17/13/31/527171331.db2.gz WTTFMPODEOAPNG-HNNXBMFYSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000471598408 527171127 /nfs/dbraw/zinc/17/11/27/527171127.db2.gz WTTFMPODEOAPNG-OAHLLOKOSA-N 1 0 245.366 3.628 20 30 BHEDRO CC1(C)CC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 ZINC000471599743 528890064 /nfs/dbraw/zinc/89/00/64/528890064.db2.gz VSSYTLXYHSNVOT-CHWSQXEVSA-N 1 0 248.414 3.873 20 30 BHEDRO CC1(C)CC([NH2+][C@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 ZINC000471599744 528890110 /nfs/dbraw/zinc/89/01/10/528890110.db2.gz VSSYTLXYHSNVOT-OLZOCXBDSA-N 1 0 248.414 3.873 20 30 BHEDRO CC1(C)CC([NH2+][C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 ZINC000471599745 528889480 /nfs/dbraw/zinc/88/94/80/528889480.db2.gz VSSYTLXYHSNVOT-QWHCGFSZSA-N 1 0 248.414 3.873 20 30 BHEDRO CC1(C)CC([NH2+][C@H]2CC[C@H](C#N)C2)CC(C)(C)C1 ZINC000471599746 528890518 /nfs/dbraw/zinc/89/05/18/528890518.db2.gz VSSYTLXYHSNVOT-STQMWFEESA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000471604549 527171567 /nfs/dbraw/zinc/17/15/67/527171567.db2.gz XQBHNBGNRMBPGU-GFCCVEGCSA-N 1 0 246.329 3.704 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000471604550 527170460 /nfs/dbraw/zinc/17/04/60/527170460.db2.gz XQBHNBGNRMBPGU-LBPRGKRZSA-N 1 0 246.329 3.704 20 30 BHEDRO CCCC1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000471605876 528080130 /nfs/dbraw/zinc/08/01/30/528080130.db2.gz KYAQCNMHFUIOKS-HXSCFSKGSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000471605877 528079065 /nfs/dbraw/zinc/07/90/65/528079065.db2.gz KYAQCNMHFUIOKS-JYVUQVBGSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000471605878 528079859 /nfs/dbraw/zinc/07/98/59/528079859.db2.gz KYAQCNMHFUIOKS-SHWKFHJASA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000471607773 527809556 /nfs/dbraw/zinc/80/95/56/527809556.db2.gz YBWNRQQJOCSJFR-IBEHDNSVSA-N 1 0 248.414 3.729 20 30 BHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000471607774 527810453 /nfs/dbraw/zinc/81/04/53/527810453.db2.gz YBWNRQQJOCSJFR-LYYZXLFJSA-N 1 0 248.414 3.729 20 30 BHEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000471607775 527810640 /nfs/dbraw/zinc/81/06/40/527810640.db2.gz YBWNRQQJOCSJFR-OXGONZEZSA-N 1 0 248.414 3.729 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000471612642 538688559 /nfs/dbraw/zinc/68/85/59/538688559.db2.gz NTRQSISZTSQDPR-HNNXBMFYSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000471612643 538688854 /nfs/dbraw/zinc/68/88/54/538688854.db2.gz NTRQSISZTSQDPR-OAHLLOKOSA-N 1 0 233.330 3.759 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ncccc1CC ZINC000471613259 527170881 /nfs/dbraw/zinc/17/08/81/527170881.db2.gz IDJUXBOOQSKSNJ-CYBMUJFWSA-N 1 0 232.371 3.651 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ncccc1CC ZINC000471613260 527169464 /nfs/dbraw/zinc/16/94/64/527169464.db2.gz IDJUXBOOQSKSNJ-ZDUSSCGKSA-N 1 0 232.371 3.651 20 30 BHEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000471620052 526647644 /nfs/dbraw/zinc/64/76/44/526647644.db2.gz RDXBBWWVFUPHSF-BARDWOONSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000471620054 526647864 /nfs/dbraw/zinc/64/78/64/526647864.db2.gz RDXBBWWVFUPHSF-TUVASFSCSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000471620055 526647571 /nfs/dbraw/zinc/64/75/71/526647571.db2.gz RDXBBWWVFUPHSF-XQLPTFJDSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CCCCC[NH2+]Cc1cccc(OCC=C)c1 ZINC000472035244 527167964 /nfs/dbraw/zinc/16/79/64/527167964.db2.gz OGEMDLIDRSRVJH-UHFFFAOYSA-N 1 0 245.366 3.697 20 30 BHEDRO C=CCCCC[NH2+]C/C=C\c1ccccc1OC ZINC000472040353 527168511 /nfs/dbraw/zinc/16/85/11/527168511.db2.gz CEQOGTZYJGGFQP-LUAWRHEFSA-N 1 0 245.366 3.654 20 30 BHEDRO C=CCCCC[NH2+]C/C=C/c1ccccc1OC ZINC000472040354 527168309 /nfs/dbraw/zinc/16/83/09/527168309.db2.gz CEQOGTZYJGGFQP-PKNBQFBNSA-N 1 0 245.366 3.654 20 30 BHEDRO C=CCCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000472052698 527168127 /nfs/dbraw/zinc/16/81/27/527168127.db2.gz FWAQSXZRFUGVPX-CVEARBPZSA-N 1 0 229.367 3.736 20 30 BHEDRO C=CCCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000472052699 527168566 /nfs/dbraw/zinc/16/85/66/527168566.db2.gz FWAQSXZRFUGVPX-HOTGVXAUSA-N 1 0 229.367 3.736 20 30 BHEDRO C=CCCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000472052700 527167850 /nfs/dbraw/zinc/16/78/50/527167850.db2.gz FWAQSXZRFUGVPX-HZPDHXFCSA-N 1 0 229.367 3.736 20 30 BHEDRO C=CCCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000472052701 527168155 /nfs/dbraw/zinc/16/81/55/527168155.db2.gz FWAQSXZRFUGVPX-JKSUJKDBSA-N 1 0 229.367 3.736 20 30 BHEDRO C=CCCCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000472056160 527168647 /nfs/dbraw/zinc/16/86/47/527168647.db2.gz ZWNALWJNEJQGSF-CYBMUJFWSA-N 1 0 235.346 3.875 20 30 BHEDRO C=CCCCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000472056173 527168537 /nfs/dbraw/zinc/16/85/37/527168537.db2.gz ZWNALWJNEJQGSF-ZDUSSCGKSA-N 1 0 235.346 3.875 20 30 BHEDRO C=CCCCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000472073763 527168354 /nfs/dbraw/zinc/16/83/54/527168354.db2.gz OGDOREMVMJWIFN-SREVYHEPSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCCCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000472073766 527168332 /nfs/dbraw/zinc/16/83/32/527168332.db2.gz OGDOREMVMJWIFN-VOTSOKGWSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000472080454 527031314 /nfs/dbraw/zinc/03/13/14/527031314.db2.gz PAVJTUBTPCKYMX-GFCCVEGCSA-N 1 0 242.366 3.839 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000472080455 527138506 /nfs/dbraw/zinc/13/85/06/527138506.db2.gz PAVJTUBTPCKYMX-LBPRGKRZSA-N 1 0 242.366 3.839 20 30 BHEDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000472147035 528099698 /nfs/dbraw/zinc/09/96/98/528099698.db2.gz GHYOVYPUKXISEG-GDBMZVCRSA-N 1 0 242.366 3.592 20 30 BHEDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000472147036 528101726 /nfs/dbraw/zinc/10/17/26/528101726.db2.gz GHYOVYPUKXISEG-HOCLYGCPSA-N 1 0 242.366 3.592 20 30 BHEDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000472147037 528101806 /nfs/dbraw/zinc/10/18/06/528101806.db2.gz GHYOVYPUKXISEG-ZBFHGGJFSA-N 1 0 242.366 3.592 20 30 BHEDRO CC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCCCC1 ZINC000472149560 527987974 /nfs/dbraw/zinc/98/79/74/527987974.db2.gz CLRXDYOANUWQEE-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCCCC1 ZINC000472149561 527988260 /nfs/dbraw/zinc/98/82/60/527988260.db2.gz CLRXDYOANUWQEE-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCCCC1 ZINC000472149562 527986000 /nfs/dbraw/zinc/98/60/00/527986000.db2.gz CLRXDYOANUWQEE-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000472231444 526721785 /nfs/dbraw/zinc/72/17/85/526721785.db2.gz GCQKUMLAWXTDHR-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000472231445 526654427 /nfs/dbraw/zinc/65/44/27/526654427.db2.gz GCQKUMLAWXTDHR-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000472232069 526488228 /nfs/dbraw/zinc/48/82/28/526488228.db2.gz RSVIGLRSMSXFLF-GDBMZVCRSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000472232070 526488747 /nfs/dbraw/zinc/48/87/47/526488747.db2.gz RSVIGLRSMSXFLF-GOEBONIOSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000472232071 526517998 /nfs/dbraw/zinc/51/79/98/526517998.db2.gz RSVIGLRSMSXFLF-HOCLYGCPSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000472232072 526518447 /nfs/dbraw/zinc/51/84/47/526518447.db2.gz RSVIGLRSMSXFLF-ZBFHGGJFSA-N 1 0 229.367 3.688 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000472237861 526607839 /nfs/dbraw/zinc/60/78/39/526607839.db2.gz HYHWCMMDGDJKSF-DOMZBBRYSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000472237879 526608439 /nfs/dbraw/zinc/60/84/39/526608439.db2.gz HYHWCMMDGDJKSF-IUODEOHRSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000472237880 526608494 /nfs/dbraw/zinc/60/84/94/526608494.db2.gz HYHWCMMDGDJKSF-SWLSCSKDSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000472237881 526607696 /nfs/dbraw/zinc/60/76/96/526607696.db2.gz HYHWCMMDGDJKSF-WFASDCNBSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000472248178 526625364 /nfs/dbraw/zinc/62/53/64/526625364.db2.gz AXVOMXRNUFHJGS-UHFFFAOYSA-N 1 0 233.330 3.761 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000472249823 526626257 /nfs/dbraw/zinc/62/62/57/526626257.db2.gz LHKIYQLMVSYTGB-HNNXBMFYSA-N 1 0 233.330 3.833 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000472249825 526627126 /nfs/dbraw/zinc/62/71/26/526627126.db2.gz LHKIYQLMVSYTGB-OAHLLOKOSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CCCC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000472317263 527197123 /nfs/dbraw/zinc/19/71/23/527197123.db2.gz JMNHEVFUHFZPDB-HNNXBMFYSA-N 1 0 232.371 3.518 20 30 BHEDRO C=CCCC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000472317281 527197269 /nfs/dbraw/zinc/19/72/69/527197269.db2.gz JMNHEVFUHFZPDB-OAHLLOKOSA-N 1 0 232.371 3.518 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472326195 526608061 /nfs/dbraw/zinc/60/80/61/526608061.db2.gz ZWSVPRWDSZCOPT-DOMZBBRYSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472326199 526607283 /nfs/dbraw/zinc/60/72/83/526607283.db2.gz ZWSVPRWDSZCOPT-IUODEOHRSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472326405 526607550 /nfs/dbraw/zinc/60/75/50/526607550.db2.gz ZWSVPRWDSZCOPT-SWLSCSKDSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472326407 526608487 /nfs/dbraw/zinc/60/84/87/526608487.db2.gz ZWSVPRWDSZCOPT-WFASDCNBSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472328901 526607323 /nfs/dbraw/zinc/60/73/23/526607323.db2.gz QQXSBNABVDOFNZ-GDBMZVCRSA-N 1 0 229.367 3.516 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472328902 526608761 /nfs/dbraw/zinc/60/87/61/526608761.db2.gz QQXSBNABVDOFNZ-GOEBONIOSA-N 1 0 229.367 3.516 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472328903 526607869 /nfs/dbraw/zinc/60/78/69/526607869.db2.gz QQXSBNABVDOFNZ-HOCLYGCPSA-N 1 0 229.367 3.516 20 30 BHEDRO C=C(C)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472328904 526607981 /nfs/dbraw/zinc/60/79/81/526607981.db2.gz QQXSBNABVDOFNZ-ZBFHGGJFSA-N 1 0 229.367 3.516 20 30 BHEDRO C=CC[N@@H+](Cc1cccc(SCC)c1)C1CC1 ZINC000473128172 526346891 /nfs/dbraw/zinc/34/68/91/526346891.db2.gz NKYLDXJQLBDLRK-UHFFFAOYSA-N 1 0 247.407 3.949 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cccc(SCC)c1 ZINC000473129615 526504488 /nfs/dbraw/zinc/50/44/88/526504488.db2.gz UJHOALBDNMQGDE-UHFFFAOYSA-N 1 0 235.396 3.807 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000473130024 526502197 /nfs/dbraw/zinc/50/21/97/526502197.db2.gz XMVFVMZKZGNJAA-UHFFFAOYSA-N 1 0 242.366 3.793 20 30 BHEDRO C=C1CC[NH+](Cc2cccc(SCC)c2)CC1 ZINC000473139022 526904458 /nfs/dbraw/zinc/90/44/58/526904458.db2.gz NXHQIQGNCDMNJO-UHFFFAOYSA-N 1 0 247.407 3.951 20 30 BHEDRO C=CCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000473923176 527325772 /nfs/dbraw/zinc/32/57/72/527325772.db2.gz YIBLGSLTTADDED-UHFFFAOYSA-N 1 0 217.356 3.863 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474039981 527416545 /nfs/dbraw/zinc/41/65/45/527416545.db2.gz WTTLSCLCQWIYJF-ABAIWWIYSA-N 1 0 245.366 3.582 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474039983 527416350 /nfs/dbraw/zinc/41/63/50/527416350.db2.gz WTTLSCLCQWIYJF-IAQYHMDHSA-N 1 0 245.366 3.582 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474039984 527571568 /nfs/dbraw/zinc/57/15/68/527571568.db2.gz WTTLSCLCQWIYJF-NHYWBVRUSA-N 1 0 245.366 3.582 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474039985 527571596 /nfs/dbraw/zinc/57/15/96/527571596.db2.gz WTTLSCLCQWIYJF-XHDPSFHLSA-N 1 0 245.366 3.582 20 30 BHEDRO CC(C)[C@@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000474155955 528437363 /nfs/dbraw/zinc/43/73/63/528437363.db2.gz FKKQOYXYQXCBPZ-GDBMZVCRSA-N 1 0 244.382 3.518 20 30 BHEDRO CC(C)[C@@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000474156156 528438161 /nfs/dbraw/zinc/43/81/61/528438161.db2.gz FKKQOYXYQXCBPZ-GOEBONIOSA-N 1 0 244.382 3.518 20 30 BHEDRO CC(C)[C@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000474156157 528989198 /nfs/dbraw/zinc/98/91/98/528989198.db2.gz FKKQOYXYQXCBPZ-HOCLYGCPSA-N 1 0 244.382 3.518 20 30 BHEDRO CC(C)[C@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000474156158 528990086 /nfs/dbraw/zinc/99/00/86/528990086.db2.gz FKKQOYXYQXCBPZ-ZBFHGGJFSA-N 1 0 244.382 3.518 20 30 BHEDRO C=CCOc1ccc(C[N@@H+](CC)C(C)(C)C)cc1 ZINC000474158692 526863107 /nfs/dbraw/zinc/86/31/07/526863107.db2.gz GHFUZEHGMIZAMT-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000474160235 526336727 /nfs/dbraw/zinc/33/67/27/526336727.db2.gz URHLRVPSRISMGM-UHFFFAOYSA-N 1 0 221.319 3.612 20 30 BHEDRO C=CC[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000474234794 526456834 /nfs/dbraw/zinc/45/68/34/526456834.db2.gz SPWXPWWEIDWZSN-HNNXBMFYSA-N 1 0 215.340 3.626 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000474234795 526456187 /nfs/dbraw/zinc/45/61/87/526456187.db2.gz SPWXPWWEIDWZSN-OAHLLOKOSA-N 1 0 215.340 3.626 20 30 BHEDRO C=C1CC[NH+](Cc2c(F)cccc2CC)CC1 ZINC000474269360 526905321 /nfs/dbraw/zinc/90/53/21/526905321.db2.gz LQXKELFHFYBJHH-UHFFFAOYSA-N 1 0 233.330 3.540 20 30 BHEDRO CC(C)C[C@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC000474726794 528591858 /nfs/dbraw/zinc/59/18/58/528591858.db2.gz HWOCTLPXPRLYGK-CABCVRRESA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC000474726795 528382919 /nfs/dbraw/zinc/38/29/19/528382919.db2.gz HWOCTLPXPRLYGK-GJZGRUSLSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC000474726796 528592406 /nfs/dbraw/zinc/59/24/06/528592406.db2.gz HWOCTLPXPRLYGK-HUUCEWRRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC000474726797 528381043 /nfs/dbraw/zinc/38/10/43/528381043.db2.gz HWOCTLPXPRLYGK-LSDHHAIUSA-N 1 0 236.403 3.875 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000474817895 526568379 /nfs/dbraw/zinc/56/83/79/526568379.db2.gz QCADTWRDPGVHLP-UHFFFAOYSA-N 1 0 217.356 3.863 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000474922096 529301501 /nfs/dbraw/zinc/30/15/01/529301501.db2.gz FZIIRYHAFTWVPT-GZBFAFLISA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000474922103 529301548 /nfs/dbraw/zinc/30/15/48/529301548.db2.gz FZIIRYHAFTWVPT-KCQAQPDRSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000474922104 529301412 /nfs/dbraw/zinc/30/14/12/529301412.db2.gz FZIIRYHAFTWVPT-UMVBOHGHSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000474922107 529301224 /nfs/dbraw/zinc/30/12/24/529301224.db2.gz FZIIRYHAFTWVPT-VNHYZAJKSA-N 1 0 236.403 3.873 20 30 BHEDRO C=CC[N@@H+](C)C[C@H](c1ccccc1)C(C)C ZINC000474926396 324151543 /nfs/dbraw/zinc/15/15/43/324151543.db2.gz HSICCEWCYYVCQS-HNNXBMFYSA-N 1 0 217.356 3.544 20 30 BHEDRO C=CC[N@@H+](C)C[C@@H](c1ccccc1)C(C)C ZINC000474926600 324151513 /nfs/dbraw/zinc/15/15/13/324151513.db2.gz HSICCEWCYYVCQS-OAHLLOKOSA-N 1 0 217.356 3.544 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCc1cccc(C)n1 ZINC000475272894 538774471 /nfs/dbraw/zinc/77/44/71/538774471.db2.gz CLBUJZIPWFTARO-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCc1cccc(C)n1 ZINC000475272895 538774496 /nfs/dbraw/zinc/77/44/96/538774496.db2.gz CLBUJZIPWFTARO-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC1(OC)CCC(C)CC1 ZINC000475427064 527423166 /nfs/dbraw/zinc/42/31/66/527423166.db2.gz FRQJMHXAIJHUBV-SHARSMKWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC1(OC)CCC(C)CC1 ZINC000475427065 527464472 /nfs/dbraw/zinc/46/44/72/527464472.db2.gz FRQJMHXAIJHUBV-SLTAFYQDSA-N 1 0 239.403 3.526 20 30 BHEDRO CC1CCC(C)(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000475427886 528169931 /nfs/dbraw/zinc/16/99/31/528169931.db2.gz IIZREWPHLXYITE-FYRZTWFESA-N 1 0 248.414 3.875 20 30 BHEDRO CC1CCC(C)(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000475427887 528170014 /nfs/dbraw/zinc/17/00/14/528170014.db2.gz IIZREWPHLXYITE-LVDPKSTMSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1CCC(C)(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000475427888 528169797 /nfs/dbraw/zinc/16/97/97/528169797.db2.gz IIZREWPHLXYITE-PWUWZPNHSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1CCC(C)(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000475427889 528170078 /nfs/dbraw/zinc/17/00/78/528170078.db2.gz IIZREWPHLXYITE-PYBGIAKNSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCCc1ccccc1F ZINC000475568478 527424130 /nfs/dbraw/zinc/42/41/30/527424130.db2.gz GEHBIKPXDWZUOY-CYBMUJFWSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCCc1ccccc1F ZINC000475568480 527465187 /nfs/dbraw/zinc/46/51/87/527465187.db2.gz GEHBIKPXDWZUOY-ZDUSSCGKSA-N 1 0 235.346 3.703 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCc1ccccc1F ZINC000475568641 527140447 /nfs/dbraw/zinc/14/04/47/527140447.db2.gz OLZNBIRRKGYOIH-KBPBESRZSA-N 1 0 249.373 3.949 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCc1ccccc1F ZINC000475568643 527034082 /nfs/dbraw/zinc/03/40/82/527034082.db2.gz OLZNBIRRKGYOIH-KGLIPLIRSA-N 1 0 249.373 3.949 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCc1ccccc1F ZINC000475568644 527139266 /nfs/dbraw/zinc/13/92/66/527139266.db2.gz OLZNBIRRKGYOIH-UONOGXRCSA-N 1 0 249.373 3.949 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCc1ccccc1F ZINC000475568646 527032954 /nfs/dbraw/zinc/03/29/54/527032954.db2.gz OLZNBIRRKGYOIH-ZIAGYGMSSA-N 1 0 249.373 3.949 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)CCC(C)(C)C ZINC000475678504 527466510 /nfs/dbraw/zinc/46/65/10/527466510.db2.gz BXKPOGYUVCOICO-KBPBESRZSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)CCC(C)(C)C ZINC000475678505 527427189 /nfs/dbraw/zinc/42/71/89/527427189.db2.gz BXKPOGYUVCOICO-KGLIPLIRSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000475678506 527466478 /nfs/dbraw/zinc/46/64/78/527466478.db2.gz BXKPOGYUVCOICO-UONOGXRCSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000475678507 527426298 /nfs/dbraw/zinc/42/62/98/527426298.db2.gz BXKPOGYUVCOICO-ZIAGYGMSSA-N 1 0 241.419 3.508 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475711578 526626855 /nfs/dbraw/zinc/62/68/55/526626855.db2.gz CICOUQQPROECOB-JTQLQIEISA-N 1 0 233.286 3.799 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475711588 526626337 /nfs/dbraw/zinc/62/63/37/526626337.db2.gz CICOUQQPROECOB-SNVBAGLBSA-N 1 0 233.286 3.799 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000475731054 527577917 /nfs/dbraw/zinc/57/79/17/527577917.db2.gz MIPQSGIIMSRJCG-NEPJUHHUSA-N 1 0 237.774 3.950 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475731058 527577527 /nfs/dbraw/zinc/57/75/27/527577527.db2.gz MIPQSGIIMSRJCG-NWDGAFQWSA-N 1 0 237.774 3.950 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475731060 527577305 /nfs/dbraw/zinc/57/73/05/527577305.db2.gz MIPQSGIIMSRJCG-RYUDHWBXSA-N 1 0 237.774 3.950 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000475731062 527578390 /nfs/dbraw/zinc/57/83/90/527578390.db2.gz MIPQSGIIMSRJCG-VXGBXAGGSA-N 1 0 237.774 3.950 20 30 BHEDRO C=CC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000477721022 527573035 /nfs/dbraw/zinc/57/30/35/527573035.db2.gz GOFCAJFVGSNHKZ-UHFFFAOYSA-N 1 0 235.330 3.874 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477850687 527467921 /nfs/dbraw/zinc/46/79/21/527467921.db2.gz CBORKQIKZHHRRT-KBPBESRZSA-N 1 0 241.419 3.506 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000477850688 527426313 /nfs/dbraw/zinc/42/63/13/527426313.db2.gz CBORKQIKZHHRRT-KGLIPLIRSA-N 1 0 241.419 3.506 20 30 BHEDRO CC(C)=CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000479282866 527408457 /nfs/dbraw/zinc/40/84/57/527408457.db2.gz LGIUXEWWNQPHNT-GFCCVEGCSA-N 1 0 246.329 3.704 20 30 BHEDRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000479282893 527406841 /nfs/dbraw/zinc/40/68/41/527406841.db2.gz LGIUXEWWNQPHNT-LBPRGKRZSA-N 1 0 246.329 3.704 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000479379717 527031327 /nfs/dbraw/zinc/03/13/27/527031327.db2.gz HPUSWGUQZOWDHL-CYBMUJFWSA-N 1 0 242.366 3.839 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000479379727 527137483 /nfs/dbraw/zinc/13/74/83/527137483.db2.gz HPUSWGUQZOWDHL-ZDUSSCGKSA-N 1 0 242.366 3.839 20 30 BHEDRO C=C(C)[C@H]([NH2+]CC(C)C)c1ccc(F)c(F)c1 ZINC000479411141 526820317 /nfs/dbraw/zinc/82/03/17/526820317.db2.gz QQDNWWDGSDOULD-AWEZNQCLSA-N 1 0 239.309 3.828 20 30 BHEDRO C=C(C)[C@@H]([NH2+]CC(C)C)c1ccc(F)c(F)c1 ZINC000479411142 526755952 /nfs/dbraw/zinc/75/59/52/526755952.db2.gz QQDNWWDGSDOULD-CQSZACIVSA-N 1 0 239.309 3.828 20 30 BHEDRO C=CCOc1cccc(C[NH2+]CCC=C(C)C)c1 ZINC000480300826 526902086 /nfs/dbraw/zinc/90/20/86/526902086.db2.gz LHTSYRMJMBNJFM-UHFFFAOYSA-N 1 0 245.366 3.697 20 30 BHEDRO CCC[N@H+](CCC1CC1)Cc1ccc(C#N)cc1 ZINC000480508754 528063804 /nfs/dbraw/zinc/06/38/04/528063804.db2.gz IVQXZUBXVYZXTO-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C=CC[N@@H+](CCC1CC1)Cc1ccccc1F ZINC000480525201 526273473 /nfs/dbraw/zinc/27/34/73/526273473.db2.gz SWHHDVLYWSRONW-UHFFFAOYSA-N 1 0 233.330 3.614 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1(OC)CCCCC1 ZINC000480666020 527465518 /nfs/dbraw/zinc/46/55/18/527465518.db2.gz PDCZGQUNGXEBBN-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1(OC)CCCCC1 ZINC000480666026 527425866 /nfs/dbraw/zinc/42/58/66/527425866.db2.gz PDCZGQUNGXEBBN-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480671181 527032615 /nfs/dbraw/zinc/03/26/15/527032615.db2.gz RCZCTYADUITBQY-CABCVRRESA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480671183 527140525 /nfs/dbraw/zinc/14/05/25/527140525.db2.gz RCZCTYADUITBQY-GJZGRUSLSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480671184 527033134 /nfs/dbraw/zinc/03/31/34/527033134.db2.gz RCZCTYADUITBQY-HUUCEWRRSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000480671185 386883553 /nfs/dbraw/zinc/88/35/53/386883553.db2.gz RCZCTYADUITBQY-LSDHHAIUSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000480703623 527140233 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526677935 /nfs/dbraw/zinc/67/79/35/526677935.db2.gz WRUMZVCKSINFAI-CVEARBPZSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481175577 526677755 /nfs/dbraw/zinc/67/77/55/526677755.db2.gz WRUMZVCKSINFAI-HOTGVXAUSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000481175579 526677285 /nfs/dbraw/zinc/67/72/85/526677285.db2.gz WRUMZVCKSINFAI-HZPDHXFCSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481175580 526677327 /nfs/dbraw/zinc/67/73/27/526677327.db2.gz WRUMZVCKSINFAI-JKSUJKDBSA-N 1 0 229.367 3.564 20 30 BHEDRO C=C(C)C[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000481231233 526502774 /nfs/dbraw/zinc/50/27/74/526502774.db2.gz QWKWRUYTLSLESA-UHFFFAOYSA-N 1 0 237.774 3.781 20 30 BHEDRO C=C(C)C[N@H+](C)CCc1c(F)cccc1Cl ZINC000481273935 526502807 /nfs/dbraw/zinc/50/28/07/526502807.db2.gz ZJIBDURGZFPFJA-UHFFFAOYSA-N 1 0 241.737 3.530 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000481278151 526506368 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C=C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000482014539 526902648 /nfs/dbraw/zinc/90/26/48/526902648.db2.gz GWRLFCVKNUXLRQ-HNNXBMFYSA-N 1 0 229.367 3.517 20 30 BHEDRO C=C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000482014540 526903145 /nfs/dbraw/zinc/90/31/45/526903145.db2.gz GWRLFCVKNUXLRQ-OAHLLOKOSA-N 1 0 229.367 3.517 20 30 BHEDRO CC[N@H+](CCC#N)CC[C@@H](C)CCC=C(C)C ZINC000482071968 528375049 /nfs/dbraw/zinc/37/50/49/528375049.db2.gz SRHZTQNBAALBEP-HNNXBMFYSA-N 1 0 236.403 3.995 20 30 BHEDRO CC[N@H+](CCC#N)CC[C@H](C)CCC=C(C)C ZINC000482071981 528375918 /nfs/dbraw/zinc/37/59/18/528375918.db2.gz SRHZTQNBAALBEP-OAHLLOKOSA-N 1 0 236.403 3.995 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[N@H+](C)C[C@@H](C)C#N ZINC000482078677 527410025 /nfs/dbraw/zinc/41/00/25/527410025.db2.gz SSSWNBXEQGWVNG-CABCVRRESA-N 1 0 236.403 3.850 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[N@H+](C)C[C@@H](C)C#N ZINC000482078678 527417827 /nfs/dbraw/zinc/41/78/27/527417827.db2.gz SSSWNBXEQGWVNG-GJZGRUSLSA-N 1 0 236.403 3.850 20 30 BHEDRO 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CC#CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000482159977 526340402 /nfs/dbraw/zinc/34/04/02/526340402.db2.gz ZOVMTFHMKJIOMP-IAGOWNOFSA-N 1 0 241.378 3.634 20 30 BHEDRO CC#CCC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000482159978 526340423 /nfs/dbraw/zinc/34/04/23/526340423.db2.gz ZOVMTFHMKJIOMP-IRXDYDNUSA-N 1 0 241.378 3.634 20 30 BHEDRO CC#CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000482159979 526340490 /nfs/dbraw/zinc/34/04/90/526340490.db2.gz ZOVMTFHMKJIOMP-SJORKVTESA-N 1 0 241.378 3.634 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[N@H+](C)[C@@H](C)CC#N ZINC000482161712 527410245 /nfs/dbraw/zinc/41/02/45/527410245.db2.gz FKOVORBLUULLRV-CABCVRRESA-N 1 0 236.403 3.993 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[N@H+](C)[C@@H](C)CC#N ZINC000482161714 527417998 /nfs/dbraw/zinc/41/79/98/527417998.db2.gz FKOVORBLUULLRV-GJZGRUSLSA-N 1 0 236.403 3.993 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[N@H+](C)[C@H](C)CC#N ZINC000482161715 527409702 /nfs/dbraw/zinc/40/97/02/527409702.db2.gz FKOVORBLUULLRV-HUUCEWRRSA-N 1 0 236.403 3.993 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[N@H+](C)[C@H](C)CC#N ZINC000482161716 527418437 /nfs/dbraw/zinc/41/84/37/527418437.db2.gz FKOVORBLUULLRV-LSDHHAIUSA-N 1 0 236.403 3.993 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000482505615 527140880 /nfs/dbraw/zinc/14/08/80/527140880.db2.gz YDXZKPOZNPUFCW-BFHYXJOUSA-N 1 0 247.382 3.514 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000482505619 527141723 /nfs/dbraw/zinc/14/17/23/527141723.db2.gz YDXZKPOZNPUFCW-IHRRRGAJSA-N 1 0 247.382 3.514 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000482505622 527140853 /nfs/dbraw/zinc/14/08/53/527140853.db2.gz YDXZKPOZNPUFCW-MELADBBJSA-N 1 0 247.382 3.514 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000482505627 527141689 /nfs/dbraw/zinc/14/16/89/527141689.db2.gz YDXZKPOZNPUFCW-MJBXVCDLSA-N 1 0 247.382 3.514 20 30 BHEDRO C=CC[N@@H+](C[C@@H](C)Cc1ccccc1)C1CC1 ZINC000482528934 526331216 /nfs/dbraw/zinc/33/12/16/526331216.db2.gz NHMFXAFKDABIMX-AWEZNQCLSA-N 1 0 229.367 3.516 20 30 BHEDRO C=CC[N@@H+](C[C@H](C)Cc1ccccc1)C1CC1 ZINC000482528936 526331251 /nfs/dbraw/zinc/33/12/51/526331251.db2.gz NHMFXAFKDABIMX-CQSZACIVSA-N 1 0 229.367 3.516 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000482553337 527142126 /nfs/dbraw/zinc/14/21/26/527142126.db2.gz GDTUUWRRARXCQI-HUBLWGQQSA-N 1 0 245.366 3.570 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000482553338 527140722 /nfs/dbraw/zinc/14/07/22/527140722.db2.gz GDTUUWRRARXCQI-ZOWXZIJZSA-N 1 0 245.366 3.570 20 30 BHEDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(F)cc1C#N ZINC000482857800 529319420 /nfs/dbraw/zinc/31/94/20/529319420.db2.gz NRYILKBGFIXPLQ-GFCCVEGCSA-N 1 0 248.345 3.565 20 30 BHEDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(F)cc1C#N ZINC000482857812 529658456 /nfs/dbraw/zinc/65/84/56/529658456.db2.gz NRYILKBGFIXPLQ-LBPRGKRZSA-N 1 0 248.345 3.565 20 30 BHEDRO C=C(C)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482898638 526606621 /nfs/dbraw/zinc/60/66/21/526606621.db2.gz JGFALFUADXGEIV-HNNXBMFYSA-N 1 0 233.330 3.929 20 30 BHEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482898641 526606594 /nfs/dbraw/zinc/60/65/94/526606594.db2.gz JGFALFUADXGEIV-OAHLLOKOSA-N 1 0 233.330 3.929 20 30 BHEDRO C=CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482915490 526456948 /nfs/dbraw/zinc/45/69/48/526456948.db2.gz ATLOLWDIYQQWRO-AWEZNQCLSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482915491 526454125 /nfs/dbraw/zinc/45/41/25/526454125.db2.gz ATLOLWDIYQQWRO-CQSZACIVSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000482942509 527194596 /nfs/dbraw/zinc/19/45/96/527194596.db2.gz DMTPQFBUWWKOPU-HNNXBMFYSA-N 1 0 233.330 3.711 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000482942510 527194502 /nfs/dbraw/zinc/19/45/02/527194502.db2.gz DMTPQFBUWWKOPU-OAHLLOKOSA-N 1 0 233.330 3.711 20 30 BHEDRO C=CC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000482951076 526983578 /nfs/dbraw/zinc/98/35/78/526983578.db2.gz POXUZZYHBHIZNG-INIZCTEOSA-N 1 0 245.341 3.711 20 30 BHEDRO C=CC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000482951078 526983311 /nfs/dbraw/zinc/98/33/11/526983311.db2.gz POXUZZYHBHIZNG-MRXNPFEDSA-N 1 0 245.341 3.711 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000482985670 527249419 /nfs/dbraw/zinc/24/94/19/527249419.db2.gz YBCDGJZGDMDDJC-CABCVRRESA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000482985671 527274596 /nfs/dbraw/zinc/27/45/96/527274596.db2.gz YBCDGJZGDMDDJC-GJZGRUSLSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000482985672 527248774 /nfs/dbraw/zinc/24/87/74/527248774.db2.gz YBCDGJZGDMDDJC-HUUCEWRRSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000482985675 527273680 /nfs/dbraw/zinc/27/36/80/527273680.db2.gz YBCDGJZGDMDDJC-LSDHHAIUSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@](C)(OC)CC1 ZINC000483010216 527133015 /nfs/dbraw/zinc/13/30/15/527133015.db2.gz FUEDGJHQDFRPJV-HNNXBMFYSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000483010217 527132554 /nfs/dbraw/zinc/13/25/54/527132554.db2.gz FUEDGJHQDFRPJV-OAHLLOKOSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCCC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000483073197 527200620 /nfs/dbraw/zinc/20/06/20/527200620.db2.gz TXODNJXPBHIZNU-DZGCQCFKSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCCC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000483073198 527201189 /nfs/dbraw/zinc/20/11/89/527201189.db2.gz TXODNJXPBHIZNU-HIFRSBDPSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCCC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000483073199 527201158 /nfs/dbraw/zinc/20/11/58/527201158.db2.gz TXODNJXPBHIZNU-UKRRQHHQSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCCC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000483073200 527201225 /nfs/dbraw/zinc/20/12/25/527201225.db2.gz TXODNJXPBHIZNU-ZFWWWQNUSA-N 1 0 215.340 3.646 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCC(C)(C)C1 ZINC000483100031 529880724 /nfs/dbraw/zinc/88/07/24/529880724.db2.gz GBSMYZYKNCUXBO-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1CCC(C)(C)C1 ZINC000483100040 529880809 /nfs/dbraw/zinc/88/08/09/529880809.db2.gz GBSMYZYKNCUXBO-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483100840 526454931 /nfs/dbraw/zinc/45/49/31/526454931.db2.gz UAHKVHJRISCTRE-UHFFFAOYSA-N 1 0 235.758 3.705 20 30 BHEDRO C[N@H+](CC#Cc1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000483104541 529822810 /nfs/dbraw/zinc/82/28/10/529822810.db2.gz VFEQTERKLWFQFX-INIZCTEOSA-N 1 0 241.378 3.549 20 30 BHEDRO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000483104542 529823412 /nfs/dbraw/zinc/82/34/12/529823412.db2.gz VFEQTERKLWFQFX-MRXNPFEDSA-N 1 0 241.378 3.549 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483104605 527198304 /nfs/dbraw/zinc/19/83/04/527198304.db2.gz IIBCXJBZPWVSDS-AWEZNQCLSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483104606 527199714 /nfs/dbraw/zinc/19/97/14/527199714.db2.gz IIBCXJBZPWVSDS-CQSZACIVSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000483259080 526979727 /nfs/dbraw/zinc/97/97/27/526979727.db2.gz LSAVNIUMQQYDKS-UHFFFAOYSA-N 1 0 241.787 3.800 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccsc1Cl ZINC000483260233 527191725 /nfs/dbraw/zinc/19/17/25/527191725.db2.gz ORRKYQNALOUIFA-UHFFFAOYSA-N 1 0 229.776 3.800 20 30 BHEDRO CC(C)(C#N)CCC[N@H+](CC1CC1)CC1CCC1 ZINC000483264776 527462960 /nfs/dbraw/zinc/46/29/60/527462960.db2.gz XMCUDAQGRMXULF-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO C=C(C)C[NH2+]C(C)(C)c1ccc(OCCC)cc1 ZINC000483281901 526625050 /nfs/dbraw/zinc/62/50/50/526625050.db2.gz OHDKQOUVIXBJSE-UHFFFAOYSA-N 1 0 247.382 3.876 20 30 BHEDRO C=C1CC[NH+](CCC2CCCCC2)CC1 ZINC000483289932 526902415 /nfs/dbraw/zinc/90/24/15/526902415.db2.gz OJVJLGPCGCLZHF-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO CC(C)(C#N)CCCC[N@H+](CC1CC1)C1CCC1 ZINC000483308225 527461106 /nfs/dbraw/zinc/46/11/06/527461106.db2.gz YTKXTTDBSNBFLQ-UHFFFAOYSA-N 1 0 248.414 3.971 20 30 BHEDRO CC1=C(C)C[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000483336220 528090964 /nfs/dbraw/zinc/09/09/64/528090964.db2.gz FINOXJUFJZVDEH-UHFFFAOYSA-N 1 0 234.387 3.749 20 30 BHEDRO CC1=C(C)C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000483351279 528090333 /nfs/dbraw/zinc/09/03/33/528090333.db2.gz PNSPNSNQHZDZEU-AWEZNQCLSA-N 1 0 240.350 3.661 20 30 BHEDRO CC1=C(C)C[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000483351290 528091133 /nfs/dbraw/zinc/09/11/33/528091133.db2.gz PNSPNSNQHZDZEU-CQSZACIVSA-N 1 0 240.350 3.661 20 30 BHEDRO CC1=C(C)C[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000483378461 528089775 /nfs/dbraw/zinc/08/97/75/528089775.db2.gz NVFVKHLFFYIAAR-AWEZNQCLSA-N 1 0 240.350 3.661 20 30 BHEDRO CC1=C(C)C[N@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000483378462 528089729 /nfs/dbraw/zinc/08/97/29/528089729.db2.gz NVFVKHLFFYIAAR-CQSZACIVSA-N 1 0 240.350 3.661 20 30 BHEDRO C=CC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000483382206 526982382 /nfs/dbraw/zinc/98/23/82/526982382.db2.gz KCRXKJNWNUYOLO-AWEZNQCLSA-N 1 0 229.367 3.954 20 30 BHEDRO C=CC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000483382209 526983582 /nfs/dbraw/zinc/98/35/82/526983582.db2.gz KCRXKJNWNUYOLO-CQSZACIVSA-N 1 0 229.367 3.954 20 30 BHEDRO C=C1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000483388922 526907420 /nfs/dbraw/zinc/90/74/20/526907420.db2.gz BLCSQYAZGIDUOV-AWEZNQCLSA-N 1 0 215.340 3.708 20 30 BHEDRO C=C1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000483388924 526908468 /nfs/dbraw/zinc/90/84/68/526908468.db2.gz BLCSQYAZGIDUOV-CQSZACIVSA-N 1 0 215.340 3.708 20 30 BHEDRO C=C1CC[NH+](CCCC2CCCC2)CC1 ZINC000483398159 526903710 /nfs/dbraw/zinc/90/37/10/526903710.db2.gz UBLQQQPDDZKCJB-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C[C@@H](c1ccccc1)[N@H+](C)CC#Cc1ccccc1 ZINC000483511774 534101469 /nfs/dbraw/zinc/10/14/69/534101469.db2.gz GCTHSWAKDBLVDM-INIZCTEOSA-N 1 0 249.357 3.731 20 30 BHEDRO CC[N@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483516344 527878687 /nfs/dbraw/zinc/87/86/87/527878687.db2.gz GJHVZTZUSOAOKT-UHFFFAOYSA-N 1 0 249.357 3.560 20 30 BHEDRO CC(C)CC[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000483519031 538875134 /nfs/dbraw/zinc/87/51/34/538875134.db2.gz OLPQUBXZYFUKTB-UHFFFAOYSA-N 1 0 241.378 3.549 20 30 BHEDRO C[N@H+](CC#Cc1ccccc1)CC1CCCCC1 ZINC000483519189 529823399 /nfs/dbraw/zinc/82/33/99/529823399.db2.gz ZPEDEXJELNIPGP-UHFFFAOYSA-N 1 0 241.378 3.550 20 30 BHEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC000483519323 533761353 /nfs/dbraw/zinc/76/13/53/533761353.db2.gz LYTGFSSBWHSMIY-NVXWUHKLSA-N 1 0 241.378 3.549 20 30 BHEDRO CC[N@H+](CC#Cc1ccccc1)C1CCCCC1 ZINC000483519401 527879029 /nfs/dbraw/zinc/87/90/29/527879029.db2.gz PRCBWVUIYTVSCF-UHFFFAOYSA-N 1 0 241.378 3.693 20 30 BHEDRO C[N@H+](CC#Cc1ccccc1)C1CCCCCC1 ZINC000483519494 529823119 /nfs/dbraw/zinc/82/31/19/529823119.db2.gz NKADZOGELNPPAE-UHFFFAOYSA-N 1 0 241.378 3.693 20 30 BHEDRO CC1CCC([N@H+](C)CC#Cc2ccccc2)CC1 ZINC000483523820 528191817 /nfs/dbraw/zinc/19/18/17/528191817.db2.gz LFDNOUCKRNPFBT-UHFFFAOYSA-N 1 0 241.378 3.549 20 30 BHEDRO CCC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483553873 529021527 /nfs/dbraw/zinc/02/15/27/529021527.db2.gz AKQFVBOGYDLSNP-UHFFFAOYSA-N 1 0 241.378 3.550 20 30 BHEDRO CC(C)C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000483587824 528380463 /nfs/dbraw/zinc/38/04/63/528380463.db2.gz GLGDKMNUXMMNHT-KRWDZBQOSA-N 1 0 241.378 3.549 20 30 BHEDRO CC(C)C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000483587825 528591263 /nfs/dbraw/zinc/59/12/63/528591263.db2.gz GLGDKMNUXMMNHT-QGZVFWFLSA-N 1 0 241.378 3.549 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000483604558 526653756 /nfs/dbraw/zinc/65/37/56/526653756.db2.gz VLMOHGLFHJVODZ-INIZCTEOSA-N 1 0 241.378 3.549 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000483604560 526721588 /nfs/dbraw/zinc/72/15/88/526721588.db2.gz VLMOHGLFHJVODZ-MRXNPFEDSA-N 1 0 241.378 3.549 20 30 BHEDRO CCC1(CC)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483929315 529057039 /nfs/dbraw/zinc/05/70/39/529057039.db2.gz UQUYREGELOKGBB-UHFFFAOYSA-N 1 0 241.378 3.550 20 30 BHEDRO CC(C)[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000483931434 528649555 /nfs/dbraw/zinc/64/95/55/528649555.db2.gz SOXZDILTJOQORR-KRWDZBQOSA-N 1 0 241.378 3.549 20 30 BHEDRO CC(C)[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000483931435 527759816 /nfs/dbraw/zinc/75/98/16/527759816.db2.gz SOXZDILTJOQORR-QGZVFWFLSA-N 1 0 241.378 3.549 20 30 BHEDRO C=CCCCCC[N@@H+](C)CC#Cc1ccccc1 ZINC000483962979 527127111 /nfs/dbraw/zinc/12/71/11/527127111.db2.gz WZKASXQZPQCOAD-UHFFFAOYSA-N 1 0 241.378 3.716 20 30 BHEDRO CC[C@@]1(C)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000483986390 529523201 /nfs/dbraw/zinc/52/32/01/529523201.db2.gz RWRVVBSFCDGLCF-KRWDZBQOSA-N 1 0 241.378 3.550 20 30 BHEDRO CC[C@]1(C)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000483986392 529395681 /nfs/dbraw/zinc/39/56/81/529395681.db2.gz RWRVVBSFCDGLCF-QGZVFWFLSA-N 1 0 241.378 3.550 20 30 BHEDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC#Cc1ccccc1 ZINC000484005401 225248265 /nfs/dbraw/zinc/24/82/65/225248265.db2.gz BQTFHBCUPFXJGE-DOTOQJQBSA-N 1 0 241.378 3.549 20 30 BHEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC#Cc1ccccc1 ZINC000484005402 533608147 /nfs/dbraw/zinc/60/81/47/533608147.db2.gz BQTFHBCUPFXJGE-NVXWUHKLSA-N 1 0 241.378 3.549 20 30 BHEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC#Cc1ccccc1 ZINC000484005403 225247413 /nfs/dbraw/zinc/24/74/13/225247413.db2.gz BQTFHBCUPFXJGE-RDJZCZTQSA-N 1 0 241.378 3.549 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC#Cc1ccccc1 ZINC000484005404 225248274 /nfs/dbraw/zinc/24/82/74/225248274.db2.gz BQTFHBCUPFXJGE-WBVHZDCISA-N 1 0 241.378 3.549 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000484007655 526854063 /nfs/dbraw/zinc/85/40/63/526854063.db2.gz NLPKRXKQEFZVGZ-UHFFFAOYSA-N 1 0 235.758 3.664 20 30 BHEDRO C=CCCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000484021931 527199529 /nfs/dbraw/zinc/19/95/29/527199529.db2.gz WIXRGGVCJKYNFH-UHFFFAOYSA-N 1 0 235.758 3.664 20 30 BHEDRO CC(C)[N@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000484083922 528857081 /nfs/dbraw/zinc/85/70/81/528857081.db2.gz PIPYKIKLKHXKAR-UHFFFAOYSA-N 1 0 241.378 3.691 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484345211 526853511 /nfs/dbraw/zinc/85/35/11/526853511.db2.gz WDGVXXCUWWSFCA-LLVKDONJSA-N 1 0 249.320 3.863 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484345212 526854135 /nfs/dbraw/zinc/85/41/35/526854135.db2.gz WDGVXXCUWWSFCA-NSHDSACASA-N 1 0 249.320 3.863 20 30 BHEDRO C=CC[N@@H+](CC(C)C)CC1CCCCC1 ZINC000484518830 527585951 /nfs/dbraw/zinc/58/59/51/527585951.db2.gz XFRQCYAHGPAQIY-UHFFFAOYSA-N 1 0 209.377 3.711 20 30 BHEDRO CC(C)CC[N@H+](CCC#N)CCC1CCCC1 ZINC000484901931 527716314 /nfs/dbraw/zinc/71/63/14/527716314.db2.gz VPNWQLSUTQIWKG-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)[C@H]1C=CCCC1 ZINC000484926439 528751882 /nfs/dbraw/zinc/75/18/82/528751882.db2.gz OCMJSZNAHXHTGZ-HNNXBMFYSA-N 1 0 234.387 3.747 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)[C@@H]1C=CCCC1 ZINC000484926440 528751673 /nfs/dbraw/zinc/75/16/73/528751673.db2.gz OCMJSZNAHXHTGZ-OAHLLOKOSA-N 1 0 234.387 3.747 20 30 BHEDRO C=CCCC[N@@H+](C)CCCc1cccc(F)c1 ZINC000485555507 527192894 /nfs/dbraw/zinc/19/28/94/527192894.db2.gz XIGTXHYICKCAIL-UHFFFAOYSA-N 1 0 235.346 3.656 20 30 BHEDRO C=CC[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000485702442 526332696 /nfs/dbraw/zinc/33/26/96/526332696.db2.gz BEURHYZUOODVTA-UHFFFAOYSA-N 1 0 239.721 3.630 20 30 BHEDRO C=CC[NH+](CC=C)Cc1cc(F)cc(Cl)c1 ZINC000485717393 527643744 /nfs/dbraw/zinc/64/37/44/527643744.db2.gz IGQVPJGVJYBWQA-UHFFFAOYSA-N 1 0 239.721 3.653 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000485730166 527192429 /nfs/dbraw/zinc/19/24/29/527192429.db2.gz ZSXVSPLWAWDOLZ-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCc1cccc(F)c1 ZINC000485788762 526547015 /nfs/dbraw/zinc/54/70/15/526547015.db2.gz GDRRWHGRPYCDMC-UHFFFAOYSA-N 1 0 235.346 3.656 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485803249 527235357 /nfs/dbraw/zinc/23/53/57/527235357.db2.gz DKRXNIGMUQVFTN-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485803252 527234459 /nfs/dbraw/zinc/23/44/59/527234459.db2.gz DKRXNIGMUQVFTN-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485824153 526859765 /nfs/dbraw/zinc/85/97/65/526859765.db2.gz BPCUIEAFCDEVGM-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485824158 526860356 /nfs/dbraw/zinc/86/03/56/526860356.db2.gz BPCUIEAFCDEVGM-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=C[C@@H]1CCCCN1c1cc[nH+]c2ccccc21 ZINC000486479438 527459338 /nfs/dbraw/zinc/45/93/38/527459338.db2.gz CXGCTJFQAVURRK-CYBMUJFWSA-N 1 0 238.334 3.780 20 30 BHEDRO C=C[C@H]1CCCCN1c1cc[nH+]c2ccccc21 ZINC000486479439 527605018 /nfs/dbraw/zinc/60/50/18/527605018.db2.gz CXGCTJFQAVURRK-ZDUSSCGKSA-N 1 0 238.334 3.780 20 30 BHEDRO C=CCCCCC[N@@H+](C)C(C1CC1)C1CC1 ZINC000486672645 527127695 /nfs/dbraw/zinc/12/76/95/527127695.db2.gz MAIYDYXGWODUCV-UHFFFAOYSA-N 1 0 221.388 3.853 20 30 BHEDRO Cc1cc(C[N@@H+](CC(C)C)C(C)C)ccc1C#N ZINC000486690032 225268105 /nfs/dbraw/zinc/26/81/05/225268105.db2.gz RJTBAHZXILGBSK-UHFFFAOYSA-N 1 0 244.382 3.733 20 30 BHEDRO CCCC[N@H+](Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000486702592 528441575 /nfs/dbraw/zinc/44/15/75/528441575.db2.gz CJBFUSZOPXEZAZ-UHFFFAOYSA-N 1 0 242.366 3.631 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486708696 527168430 /nfs/dbraw/zinc/16/84/30/527168430.db2.gz KCWBGKLRCSINAW-UHFFFAOYSA-N 1 0 246.329 3.753 20 30 BHEDRO C=CCCCCC[N@@H+]1CCc2sccc2C1 ZINC000486737637 527134604 /nfs/dbraw/zinc/13/46/04/527134604.db2.gz NVQWDKOWLVBEEZ-UHFFFAOYSA-N 1 0 235.396 3.853 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)C(C)C ZINC000486740603 528769679 /nfs/dbraw/zinc/76/96/79/528769679.db2.gz HYRQEFOTZSZFOW-AWEZNQCLSA-N 1 0 244.382 3.733 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)C(C)C ZINC000486740604 528770488 /nfs/dbraw/zinc/77/04/88/528770488.db2.gz HYRQEFOTZSZFOW-CQSZACIVSA-N 1 0 244.382 3.733 20 30 BHEDRO C=CCCCCC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000486800849 527133715 /nfs/dbraw/zinc/13/37/15/527133715.db2.gz KMGPPDIONQPPTG-AWEZNQCLSA-N 1 0 232.371 3.611 20 30 BHEDRO C=CCCCCC[N@@H+]1CCn2cccc2[C@H]1C ZINC000486800852 527133973 /nfs/dbraw/zinc/13/39/73/527133973.db2.gz KMGPPDIONQPPTG-CQSZACIVSA-N 1 0 232.371 3.611 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000486809486 527131571 /nfs/dbraw/zinc/13/15/71/527131571.db2.gz NUORYXFQJXFJRD-AWEZNQCLSA-N 1 0 248.370 3.866 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000486809488 527131955 /nfs/dbraw/zinc/13/19/55/527131955.db2.gz NUORYXFQJXFJRD-CQSZACIVSA-N 1 0 248.370 3.866 20 30 BHEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000486814556 529202363 /nfs/dbraw/zinc/20/23/63/529202363.db2.gz JCCWCOAOLAFVDU-INIZCTEOSA-N 1 0 242.366 3.631 20 30 BHEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000486814557 529274396 /nfs/dbraw/zinc/27/43/96/529274396.db2.gz JCCWCOAOLAFVDU-MRXNPFEDSA-N 1 0 242.366 3.631 20 30 BHEDRO Cc1cc(C[N@@H+](C)C2CCCCC2)ccc1C#N ZINC000486815922 534168022 /nfs/dbraw/zinc/16/80/22/534168022.db2.gz AMNNZWLUYIPXCS-UHFFFAOYSA-N 1 0 242.366 3.631 20 30 BHEDRO C=CC[N@@H+](CC)[C@@H](CC)c1ccccc1 ZINC000486978499 527592099 /nfs/dbraw/zinc/59/20/99/527592099.db2.gz UAYQZUNQANEKTE-AWEZNQCLSA-N 1 0 203.329 3.646 20 30 BHEDRO C=CC[N@@H+](CC)[C@H](CC)c1ccccc1 ZINC000486978500 527592884 /nfs/dbraw/zinc/59/28/84/527592884.db2.gz UAYQZUNQANEKTE-CQSZACIVSA-N 1 0 203.329 3.646 20 30 BHEDRO CCC[N@H+](CC)Cc1ccccc1C(C)(C)C#N ZINC000487364293 528004229 /nfs/dbraw/zinc/00/42/29/528004229.db2.gz HKYKHHSULQVCTO-UHFFFAOYSA-N 1 0 244.382 3.720 20 30 BHEDRO CC(C)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000487372581 385266946 /nfs/dbraw/zinc/26/69/46/385266946.db2.gz UOGPKGFYWSJEDV-UHFFFAOYSA-N 1 0 244.382 3.576 20 30 BHEDRO C=CCCCCC[N@@H+](C)C1CCC(OC)CC1 ZINC000487869373 527127409 /nfs/dbraw/zinc/12/74/09/527127409.db2.gz GWXLEVTVZNCNDR-UHFFFAOYSA-N 1 0 239.403 3.622 20 30 BHEDRO Cc1cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1C#N ZINC000487869383 225328855 /nfs/dbraw/zinc/32/88/55/225328855.db2.gz GXYWBYKHMSBUQG-KBPBESRZSA-N 1 0 242.366 3.630 20 30 BHEDRO Cc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1C#N ZINC000487869384 225328414 /nfs/dbraw/zinc/32/84/14/225328414.db2.gz GXYWBYKHMSBUQG-OKILXGFUSA-N 1 0 242.366 3.630 20 30 BHEDRO Cc1cc(C[NH+]2[C@H](C)CCC[C@H]2C)ccc1C#N ZINC000487869385 225328543 /nfs/dbraw/zinc/32/85/43/225328543.db2.gz GXYWBYKHMSBUQG-ZIAGYGMSSA-N 1 0 242.366 3.630 20 30 BHEDRO CCCC(C)(C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000487869766 527991286 /nfs/dbraw/zinc/99/12/86/527991286.db2.gz KQOLTOJLOOGKTR-UHFFFAOYSA-N 1 0 230.355 3.535 20 30 BHEDRO Cc1cc(C[N@H+]2CCCCC[C@@H]2C)ccc1C#N ZINC000487908810 533598760 /nfs/dbraw/zinc/59/87/60/533598760.db2.gz JYVMRMFYTQFJBQ-AWEZNQCLSA-N 1 0 242.366 3.631 20 30 BHEDRO Cc1cc(C[N@H+]2CCCCC[C@H]2C)ccc1C#N ZINC000487908812 533598355 /nfs/dbraw/zinc/59/83/55/533598355.db2.gz JYVMRMFYTQFJBQ-CQSZACIVSA-N 1 0 242.366 3.631 20 30 BHEDRO C=CCCCCC[NH+]1Cc2ccccc2C1 ZINC000487914338 527135751 /nfs/dbraw/zinc/13/57/51/527135751.db2.gz TXYMNDCXBPMGCZ-UHFFFAOYSA-N 1 0 215.340 3.749 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1ccc(F)cc1C ZINC000487987449 526850228 /nfs/dbraw/zinc/85/02/28/526850228.db2.gz KISUYJXPXBSCOK-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000488002434 527137214 /nfs/dbraw/zinc/13/72/14/527137214.db2.gz OASDICCIVFXJRS-CYBMUJFWSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000488002435 527137695 /nfs/dbraw/zinc/13/76/95/527137695.db2.gz OASDICCIVFXJRS-ZDUSSCGKSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCCC[N@@H+]1CCCC2(CC2)C1 ZINC000488004477 527132873 /nfs/dbraw/zinc/13/28/73/527132873.db2.gz WRIUHOKRNFXSCX-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=CC[N@H+](C)CCc1cc(Cl)ccc1Cl ZINC000488062388 527574705 /nfs/dbraw/zinc/57/47/05/527574705.db2.gz GQUFZZWYAXMTGY-UHFFFAOYSA-N 1 0 244.165 3.654 20 30 BHEDRO CCC(C)(CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000488109825 528615282 /nfs/dbraw/zinc/61/52/82/528615282.db2.gz CMOUHPYMMFTPPY-UHFFFAOYSA-N 1 0 230.355 3.535 20 30 BHEDRO C=CCCCCC[N@@H+](CC)Cc1ccncc1 ZINC000488129078 527130739 /nfs/dbraw/zinc/13/07/39/527130739.db2.gz SYDJZNIIZZCHGF-UHFFFAOYSA-N 1 0 232.371 3.650 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](COC)c1ccccc1 ZINC000488133488 527138166 /nfs/dbraw/zinc/13/81/66/527138166.db2.gz ZSVYNWCUOOBNEE-INIZCTEOSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCCCCC[NH2+][C@H](COC)c1ccccc1 ZINC000488133489 527137506 /nfs/dbraw/zinc/13/75/06/527137506.db2.gz ZSVYNWCUOOBNEE-MRXNPFEDSA-N 1 0 247.382 3.710 20 30 BHEDRO CCC(CC)(CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000488144652 528637059 /nfs/dbraw/zinc/63/70/59/528637059.db2.gz VOYPYZBDPSZTMV-UHFFFAOYSA-N 1 0 244.382 3.925 20 30 BHEDRO C=CCCCCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000488149460 527133138 /nfs/dbraw/zinc/13/31/38/527133138.db2.gz YNPSRQQTQKVYTM-UHFFFAOYSA-N 1 0 247.304 3.927 20 30 BHEDRO C=CCCCCC[N@@H+]1CCc2ccsc2C1 ZINC000488149909 527133598 /nfs/dbraw/zinc/13/35/98/527133598.db2.gz MJZDRQDMGBDJHN-UHFFFAOYSA-N 1 0 235.396 3.853 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](CC)C1CCOCC1 ZINC000488160499 527137164 /nfs/dbraw/zinc/13/71/64/527137164.db2.gz JMKBYNOGIPUOGI-HNNXBMFYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+][C@H](CC)C1CCOCC1 ZINC000488160501 527137561 /nfs/dbraw/zinc/13/75/61/527137561.db2.gz JMKBYNOGIPUOGI-OAHLLOKOSA-N 1 0 239.403 3.528 20 30 BHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)C(C)(C)C ZINC000488161242 529625437 /nfs/dbraw/zinc/62/54/37/529625437.db2.gz UWMQXKNFBXNKID-HNNXBMFYSA-N 1 0 244.382 3.781 20 30 BHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)C(C)(C)C ZINC000488161243 529182318 /nfs/dbraw/zinc/18/23/18/529182318.db2.gz UWMQXKNFBXNKID-OAHLLOKOSA-N 1 0 244.382 3.781 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@@H]1CSC ZINC000488169046 527132895 /nfs/dbraw/zinc/13/28/95/527132895.db2.gz JAWLBNUVYYCODQ-CYBMUJFWSA-N 1 0 227.417 3.560 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@H]1CSC ZINC000488169047 527132990 /nfs/dbraw/zinc/13/29/90/527132990.db2.gz JAWLBNUVYYCODQ-ZDUSSCGKSA-N 1 0 227.417 3.560 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000488178258 527132066 /nfs/dbraw/zinc/13/20/66/527132066.db2.gz FBGNOTOHBQTREU-HNNXBMFYSA-N 1 0 232.371 3.898 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000488178259 527132465 /nfs/dbraw/zinc/13/24/65/527132465.db2.gz FBGNOTOHBQTREU-OAHLLOKOSA-N 1 0 232.371 3.898 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cccn1CC ZINC000488190393 527128704 /nfs/dbraw/zinc/12/87/04/527128704.db2.gz CCBZBLSFMWNALL-UHFFFAOYSA-N 1 0 234.387 3.686 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@H]1c1cccn1C ZINC000488201932 527131604 /nfs/dbraw/zinc/13/16/04/527131604.db2.gz NLTQMUUNHPIHAU-INIZCTEOSA-N 1 0 246.398 3.908 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000488201934 527131989 /nfs/dbraw/zinc/13/19/89/527131989.db2.gz NLTQMUUNHPIHAU-MRXNPFEDSA-N 1 0 246.398 3.908 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC2(CCC2)C1 ZINC000488204061 527133184 /nfs/dbraw/zinc/13/31/84/527133184.db2.gz QVQIHOBUWVCBNS-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@H](C)CCSC ZINC000488216847 527130673 /nfs/dbraw/zinc/13/06/73/527130673.db2.gz NCELEGGZVUCJHS-CYBMUJFWSA-N 1 0 229.433 3.806 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@@H](C)CCSC ZINC000488216848 527130588 /nfs/dbraw/zinc/13/05/88/527130588.db2.gz NCELEGGZVUCJHS-ZDUSSCGKSA-N 1 0 229.433 3.806 20 30 BHEDRO C=CCCCCC[NH+]1CCC(C(F)F)CC1 ZINC000488225016 527132471 /nfs/dbraw/zinc/13/24/71/527132471.db2.gz SLPJHZBUAKPQNJ-UHFFFAOYSA-N 1 0 231.330 3.710 20 30 BHEDRO C=CCCCCC[N@@H+](C(C)C)C1CCC1 ZINC000488241708 527116466 /nfs/dbraw/zinc/11/64/66/527116466.db2.gz FWZSQRLFBCJHTN-UHFFFAOYSA-N 1 0 209.377 3.996 20 30 BHEDRO Cc1cc(C[N@@H+](C(C)C)C2CCC2)ccc1C#N ZINC000488253652 225358938 /nfs/dbraw/zinc/35/89/38/225358938.db2.gz QAVKCPCSBHEQSO-UHFFFAOYSA-N 1 0 242.366 3.630 20 30 BHEDRO C=CCCCCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000488291817 527137234 /nfs/dbraw/zinc/13/72/34/527137234.db2.gz JDRHOZLJKGQMHZ-INIZCTEOSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000488291818 527138030 /nfs/dbraw/zinc/13/80/30/527138030.db2.gz JDRHOZLJKGQMHZ-MRXNPFEDSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCc1ccccc1O ZINC000488293446 527129107 /nfs/dbraw/zinc/12/91/07/527129107.db2.gz GDLWQIARDZTTJQ-UHFFFAOYSA-N 1 0 247.382 3.613 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000488298218 527137140 /nfs/dbraw/zinc/13/71/40/527137140.db2.gz QPLHWLKXFGHBKG-GFCCVEGCSA-N 1 0 236.334 3.618 20 30 BHEDRO CC[N@H+](C[C@@H]1C[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000488303749 528685118 /nfs/dbraw/zinc/68/51/18/528685118.db2.gz XFZOWBUZHRDYCQ-IOASZLSFSA-N 1 0 242.366 3.597 20 30 BHEDRO CC[N@H+](C[C@@H]1C[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000488303751 528685391 /nfs/dbraw/zinc/68/53/91/528685391.db2.gz XFZOWBUZHRDYCQ-WWGRRREGSA-N 1 0 242.366 3.597 20 30 BHEDRO CC[N@H+](C[C@@H]1C[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000488303753 528685883 /nfs/dbraw/zinc/68/58/83/528685883.db2.gz XFZOWBUZHRDYCQ-XEZPLFJOSA-N 1 0 242.366 3.597 20 30 BHEDRO CC[N@H+](C[C@@H]1C[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000488303754 528685110 /nfs/dbraw/zinc/68/51/10/528685110.db2.gz XFZOWBUZHRDYCQ-ZENOOKHLSA-N 1 0 242.366 3.597 20 30 BHEDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1C#N ZINC000488317442 533717779 /nfs/dbraw/zinc/71/77/79/533717779.db2.gz VNFDMVCFKTXCEC-BLLLJJGKSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)ccc1C#N ZINC000488317443 225370506 /nfs/dbraw/zinc/37/05/06/225370506.db2.gz VNFDMVCFKTXCEC-LRDDRELGSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)ccc1C#N ZINC000488317444 349377947 /nfs/dbraw/zinc/37/79/47/349377947.db2.gz VNFDMVCFKTXCEC-MLGOLLRUSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C)ccc1C#N ZINC000488317445 366924840 /nfs/dbraw/zinc/92/48/40/366924840.db2.gz VNFDMVCFKTXCEC-WBMJQRKESA-N 1 0 242.366 3.535 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc2ccc(F)cc2[nH]1 ZINC000488326916 526548202 /nfs/dbraw/zinc/54/82/02/526548202.db2.gz LPMHOQZXGYGFGQ-UHFFFAOYSA-N 1 0 246.329 3.705 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488329367 527191854 /nfs/dbraw/zinc/19/18/54/527191854.db2.gz XZJSSKFJKDMWIH-UHFFFAOYSA-N 1 0 246.329 3.705 20 30 BHEDRO C=CCCCCC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000488335454 527137658 /nfs/dbraw/zinc/13/76/58/527137658.db2.gz YAKHPCBFZGFFBY-UHFFFAOYSA-N 1 0 246.398 3.961 20 30 BHEDRO C=CCCCCC[N@H+](CCC#N)CC(C)(C)C ZINC000488414053 527130029 /nfs/dbraw/zinc/13/00/29/527130029.db2.gz GHMHLSZOXKODCK-UHFFFAOYSA-N 1 0 236.403 3.995 20 30 BHEDRO C=C(C[NH2+]C1CC(C(C)C)C1)c1ccccc1 ZINC000488427214 526882257 /nfs/dbraw/zinc/88/22/57/526882257.db2.gz FWIKOCFQUIWSPK-UHFFFAOYSA-N 1 0 229.367 3.724 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1ccccc1C ZINC000488492590 388182269 /nfs/dbraw/zinc/18/22/69/388182269.db2.gz LPUAJQJFKQGLHK-AWEZNQCLSA-N 1 0 217.356 3.954 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1ccccc1C ZINC000488492591 388181998 /nfs/dbraw/zinc/18/19/98/388181998.db2.gz LPUAJQJFKQGLHK-CQSZACIVSA-N 1 0 217.356 3.954 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H]1CCc2ccc(F)cc21 ZINC000488567473 388187768 /nfs/dbraw/zinc/18/77/68/388187768.db2.gz KKJHVYIIXZFVPK-HNNXBMFYSA-N 1 0 233.330 3.711 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCc2ccc(F)cc21 ZINC000488567474 388187812 /nfs/dbraw/zinc/18/78/12/388187812.db2.gz KKJHVYIIXZFVPK-OAHLLOKOSA-N 1 0 233.330 3.711 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1cccc(C)c1 ZINC000488611131 388191157 /nfs/dbraw/zinc/19/11/57/388191157.db2.gz PVPCIFYVQIJZQC-AWEZNQCLSA-N 1 0 217.356 3.954 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1cccc(C)c1 ZINC000488611132 388190649 /nfs/dbraw/zinc/19/06/49/388190649.db2.gz PVPCIFYVQIJZQC-CQSZACIVSA-N 1 0 217.356 3.954 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000488611211 388190655 /nfs/dbraw/zinc/19/06/55/388190655.db2.gz QIJFGKSXQOITET-GFCCVEGCSA-N 1 0 248.326 3.554 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000488611213 388190898 /nfs/dbraw/zinc/19/08/98/388190898.db2.gz QIJFGKSXQOITET-LBPRGKRZSA-N 1 0 248.326 3.554 20 30 BHEDRO C=CC[N@@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000488739153 362823458 /nfs/dbraw/zinc/82/34/58/362823458.db2.gz KLTSZAXNKWMURL-HNNXBMFYSA-N 1 0 217.356 3.810 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000488739229 527577768 /nfs/dbraw/zinc/57/77/68/527577768.db2.gz KLTSZAXNKWMURL-OAHLLOKOSA-N 1 0 217.356 3.810 20 30 BHEDRO C=CCCCCC[N@@H+]1CCCC12CCC2 ZINC000489006978 388201761 /nfs/dbraw/zinc/20/17/61/388201761.db2.gz FMTFXVUZWFTQGG-UHFFFAOYSA-N 1 0 207.361 3.751 20 30 BHEDRO Cc1cc(C[NH2+][C@H]2CCCC2(C)C)ccc1C#N ZINC000489023238 388671212 /nfs/dbraw/zinc/67/12/12/388671212.db2.gz AWDCYSWOWYWGBL-HNNXBMFYSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1cc(C[NH2+][C@@H]2CCCC2(C)C)ccc1C#N ZINC000489023240 225442390 /nfs/dbraw/zinc/44/23/90/225442390.db2.gz AWDCYSWOWYWGBL-OAHLLOKOSA-N 1 0 242.366 3.535 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000489025987 388201786 /nfs/dbraw/zinc/20/17/86/388201786.db2.gz JQQPWZXVDPVDBW-KBPBESRZSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000489025989 388202115 /nfs/dbraw/zinc/20/21/15/388202115.db2.gz JQQPWZXVDPVDBW-KGLIPLIRSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000489025991 388201597 /nfs/dbraw/zinc/20/15/97/388201597.db2.gz JQQPWZXVDPVDBW-UONOGXRCSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000489025992 388201579 /nfs/dbraw/zinc/20/15/79/388201579.db2.gz JQQPWZXVDPVDBW-ZIAGYGMSSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCCCC[N@@H+]1CCS[C@H](C)CC1 ZINC000489036014 388202122 /nfs/dbraw/zinc/20/21/22/388202122.db2.gz HYJFLHJMOQSOIW-CYBMUJFWSA-N 1 0 227.417 3.560 20 30 BHEDRO C=CCCCCC[N@@H+]1CCS[C@@H](C)CC1 ZINC000489036455 388202251 /nfs/dbraw/zinc/20/22/51/388202251.db2.gz HYJFLHJMOQSOIW-ZDUSSCGKSA-N 1 0 227.417 3.560 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000489397303 388211123 /nfs/dbraw/zinc/21/11/23/388211123.db2.gz HJDKUPOSIQQYNE-AWEZNQCLSA-N 1 0 241.334 3.973 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000489397305 388210610 /nfs/dbraw/zinc/21/06/10/388210610.db2.gz HJDKUPOSIQQYNE-CQSZACIVSA-N 1 0 241.334 3.973 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1CCCCOC(C)(C)C ZINC000489401926 388211012 /nfs/dbraw/zinc/21/10/12/388211012.db2.gz JKQARJINUOKGRO-AWEZNQCLSA-N 1 0 239.403 3.622 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1CCCCOC(C)(C)C ZINC000489401928 527457962 /nfs/dbraw/zinc/45/79/62/527457962.db2.gz JKQARJINUOKGRO-CQSZACIVSA-N 1 0 239.403 3.622 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000489410230 388211570 /nfs/dbraw/zinc/21/15/70/388211570.db2.gz UISYNCLDRVPNBF-AWEZNQCLSA-N 1 0 235.396 3.721 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000489410239 388211398 /nfs/dbraw/zinc/21/13/98/388211398.db2.gz UISYNCLDRVPNBF-CQSZACIVSA-N 1 0 235.396 3.721 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000489428310 388212598 /nfs/dbraw/zinc/21/25/98/388212598.db2.gz DNSYRWGNAVZAEX-HNNXBMFYSA-N 1 0 215.340 3.536 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000489428311 388212948 /nfs/dbraw/zinc/21/29/48/388212948.db2.gz DNSYRWGNAVZAEX-OAHLLOKOSA-N 1 0 215.340 3.536 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000489433456 388213951 /nfs/dbraw/zinc/21/39/51/388213951.db2.gz UJFYFCPSSGNPCK-CLOOOTJHSA-N 1 0 227.351 3.740 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000489433459 388213784 /nfs/dbraw/zinc/21/37/84/388213784.db2.gz UJFYFCPSSGNPCK-JXMNSVBMSA-N 1 0 227.351 3.740 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000489433460 388213182 /nfs/dbraw/zinc/21/31/82/388213182.db2.gz UJFYFCPSSGNPCK-KXKDPZRNSA-N 1 0 227.351 3.740 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000489433462 388213840 /nfs/dbraw/zinc/21/38/40/388213840.db2.gz UJFYFCPSSGNPCK-YCABEKBOSA-N 1 0 227.351 3.740 20 30 BHEDRO C=C[C@H]1CCCCN1Cc1ccc(Cl)s1 ZINC000489434809 388214255 /nfs/dbraw/zinc/21/42/55/388214255.db2.gz IQXXDJQPPBTYRR-JTQLQIEISA-N 1 0 241.787 3.942 20 30 BHEDRO C=C[C@@H]1CCCCN1Cc1ccc(Cl)s1 ZINC000489434812 388213160 /nfs/dbraw/zinc/21/31/60/388213160.db2.gz IQXXDJQPPBTYRR-SNVBAGLBSA-N 1 0 241.787 3.942 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1OC ZINC000489436455 527605770 /nfs/dbraw/zinc/60/57/70/527605770.db2.gz NANGNBJHVDNNJM-HNNXBMFYSA-N 1 0 245.366 3.544 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1OC ZINC000489436464 388213752 /nfs/dbraw/zinc/21/37/52/388213752.db2.gz NANGNBJHVDNNJM-OAHLLOKOSA-N 1 0 245.366 3.544 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000489436543 388213573 /nfs/dbraw/zinc/21/35/73/388213573.db2.gz NJBNMBFNNRNVIV-AWEZNQCLSA-N 1 0 234.387 3.747 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000489436544 388213793 /nfs/dbraw/zinc/21/37/93/388213793.db2.gz NJBNMBFNNRNVIV-CQSZACIVSA-N 1 0 234.387 3.747 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccccc1C ZINC000489446541 388214860 /nfs/dbraw/zinc/21/48/60/388214860.db2.gz GWRATWVQCHJTNK-HNNXBMFYSA-N 1 0 215.340 3.536 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccccc1C ZINC000489446543 388214448 /nfs/dbraw/zinc/21/44/48/388214448.db2.gz GWRATWVQCHJTNK-OAHLLOKOSA-N 1 0 215.340 3.536 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000489452690 388215353 /nfs/dbraw/zinc/21/53/53/388215353.db2.gz WTQXQQDCBOQHHJ-LLVKDONJSA-N 1 0 235.293 3.760 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000489452692 388214746 /nfs/dbraw/zinc/21/47/46/388214746.db2.gz WTQXQQDCBOQHHJ-NSHDSACASA-N 1 0 235.293 3.760 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1 ZINC000489479160 388217317 /nfs/dbraw/zinc/21/73/17/388217317.db2.gz KZLBTEBNFABZIR-HNNXBMFYSA-N 1 0 215.340 3.536 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1 ZINC000489479161 388217691 /nfs/dbraw/zinc/21/76/91/388217691.db2.gz KZLBTEBNFABZIR-OAHLLOKOSA-N 1 0 215.340 3.536 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccccc1SC ZINC000489485972 388218606 /nfs/dbraw/zinc/21/86/06/388218606.db2.gz HTGNMWAEBOLJAD-AWEZNQCLSA-N 1 0 247.407 3.949 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccccc1SC ZINC000489485973 388218125 /nfs/dbraw/zinc/21/81/25/388218125.db2.gz HTGNMWAEBOLJAD-CQSZACIVSA-N 1 0 247.407 3.949 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000489500746 388219542 /nfs/dbraw/zinc/21/95/42/388219542.db2.gz VMOYPKJBZDOTPQ-INIZCTEOSA-N 1 0 229.367 3.660 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000489500747 527456482 /nfs/dbraw/zinc/45/64/82/527456482.db2.gz VMOYPKJBZDOTPQ-MRXNPFEDSA-N 1 0 229.367 3.660 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1 ZINC000489501647 388220145 /nfs/dbraw/zinc/22/01/45/388220145.db2.gz VBFAZAGROCDANU-HNNXBMFYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1 ZINC000489501648 388219763 /nfs/dbraw/zinc/21/97/63/388219763.db2.gz VBFAZAGROCDANU-OAHLLOKOSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(SC)cc1 ZINC000489506464 388219598 /nfs/dbraw/zinc/21/95/98/388219598.db2.gz HDVWWKHNYKSWRR-AWEZNQCLSA-N 1 0 247.407 3.949 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(SC)cc1 ZINC000489506465 388219867 /nfs/dbraw/zinc/21/98/67/388219867.db2.gz HDVWWKHNYKSWRR-CQSZACIVSA-N 1 0 247.407 3.949 20 30 BHEDRO CCC[N@@H+](Cc1ccc(F)cc1C#N)CC(C)C ZINC000489576435 388837968 /nfs/dbraw/zinc/83/79/68/388837968.db2.gz HCFPGBJCEZOWKD-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)C1(C)CCCC1 ZINC000489857277 388226459 /nfs/dbraw/zinc/22/64/59/388226459.db2.gz LGHVMSLIZUYCAO-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO Cc1cc(C[N@@H+](C)C2(C)CCCC2)ccc1C#N ZINC000489867063 388843138 /nfs/dbraw/zinc/84/31/38/388843138.db2.gz ACQJBHCVCHTJJK-UHFFFAOYSA-N 1 0 242.366 3.631 20 30 BHEDRO C[N@H+](Cc1ccc(CC#N)cc1)C1(C)CCCC1 ZINC000489874111 388227387 /nfs/dbraw/zinc/22/73/87/388227387.db2.gz OUEBUVOGZZFOHN-UHFFFAOYSA-N 1 0 242.366 3.517 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)C1(C)CCCC1 ZINC000489875910 388227216 /nfs/dbraw/zinc/22/72/16/388227216.db2.gz SKXRTLZBGLPPJE-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490041717 388232405 /nfs/dbraw/zinc/23/24/05/388232405.db2.gz NBRGJQGEWDVINS-INIZCTEOSA-N 1 0 244.382 3.529 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490041722 388232317 /nfs/dbraw/zinc/23/23/17/388232317.db2.gz NBRGJQGEWDVINS-MRXNPFEDSA-N 1 0 244.382 3.529 20 30 BHEDRO C=C(C)C[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490065650 388233616 /nfs/dbraw/zinc/23/36/16/388233616.db2.gz KMVPJTFJQHCINO-GDBMZVCRSA-N 1 0 229.367 3.749 20 30 BHEDRO C=C(C)C[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490065651 388233067 /nfs/dbraw/zinc/23/30/67/388233067.db2.gz KMVPJTFJQHCINO-GOEBONIOSA-N 1 0 229.367 3.749 20 30 BHEDRO C=C(C)C[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490065653 388233633 /nfs/dbraw/zinc/23/36/33/388233633.db2.gz KMVPJTFJQHCINO-HOCLYGCPSA-N 1 0 229.367 3.749 20 30 BHEDRO C=C(C)C[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490065654 388233133 /nfs/dbraw/zinc/23/31/33/388233133.db2.gz KMVPJTFJQHCINO-ZBFHGGJFSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(F)ccc1C ZINC000490363713 388237530 /nfs/dbraw/zinc/23/75/30/388237530.db2.gz HCVHVYGCYGLUFM-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO CCC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000490380879 388345122 /nfs/dbraw/zinc/34/51/22/388345122.db2.gz VSYHZLXPAKAOIO-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO CCC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000490380899 388345096 /nfs/dbraw/zinc/34/50/96/388345096.db2.gz VSYHZLXPAKAOIO-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)C ZINC000490389096 388344979 /nfs/dbraw/zinc/34/49/79/388344979.db2.gz DYFBHWFFYIXPTL-GFCCVEGCSA-N 1 0 230.355 3.597 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)C ZINC000490389097 388345513 /nfs/dbraw/zinc/34/55/13/388345513.db2.gz DYFBHWFFYIXPTL-LBPRGKRZSA-N 1 0 230.355 3.597 20 30 BHEDRO C#CC[N@@H+](CCCC(C)(C)C#N)C1CCCCC1 ZINC000490781229 388254094 /nfs/dbraw/zinc/25/40/94/388254094.db2.gz YYPNQKBJSYRCCG-UHFFFAOYSA-N 1 0 246.398 3.584 20 30 BHEDRO C#CC[N@@H+](CC(C)(C)CCC#N)C1CCCCC1 ZINC000490876522 259507646 /nfs/dbraw/zinc/50/76/46/259507646.db2.gz UVCSDFYKDMTZSL-UHFFFAOYSA-N 1 0 246.398 3.584 20 30 BHEDRO C=CC1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000491152206 388273133 /nfs/dbraw/zinc/27/31/33/388273133.db2.gz ZGXFWBNJRLDZCY-UHFFFAOYSA-N 1 0 233.330 3.532 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491294274 411391956 /nfs/dbraw/zinc/39/19/56/411391956.db2.gz ITPCGZQMOWRIDT-CYBMUJFWSA-N 1 0 229.367 3.620 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491294278 388283087 /nfs/dbraw/zinc/28/30/87/388283087.db2.gz ITPCGZQMOWRIDT-ZDUSSCGKSA-N 1 0 229.367 3.620 20 30 BHEDRO C=CC[N@H+](CCc1ccco1)CC1CCCC1 ZINC000491309706 388284552 /nfs/dbraw/zinc/28/45/52/388284552.db2.gz YDBOHZLCRYCXMZ-UHFFFAOYSA-N 1 0 233.355 3.500 20 30 BHEDRO C=CC[N@H+](CCCCC)CCc1ccco1 ZINC000491342622 388287130 /nfs/dbraw/zinc/28/71/30/388287130.db2.gz JYWQLYOMHUSZDM-UHFFFAOYSA-N 1 0 221.344 3.500 20 30 BHEDRO C#CC[N@@H+](CCCCC(C)(C)C#N)C1CCCC1 ZINC000491672283 388309941 /nfs/dbraw/zinc/30/99/41/388309941.db2.gz GYOSJFPLPGVQNM-UHFFFAOYSA-N 1 0 246.398 3.584 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc(F)ccc1C ZINC000491873321 388325590 /nfs/dbraw/zinc/32/55/90/388325590.db2.gz FDCMOZBIEHRTGA-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=CCCC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492290549 388340522 /nfs/dbraw/zinc/34/05/22/388340522.db2.gz KWGCMFAELWWOFL-UHFFFAOYSA-N 1 0 237.774 3.781 20 30 BHEDRO CC(C)[NH+](CC#Cc1ccccc1Cl)C(C)C ZINC000492877935 528856724 /nfs/dbraw/zinc/85/67/24/528856724.db2.gz OFGGBGDLQTYQJU-UHFFFAOYSA-N 1 0 249.785 3.810 20 30 BHEDRO CC(C)[NH+](CC#Cc1cccc(Cl)c1)C(C)C ZINC000492878705 528857548 /nfs/dbraw/zinc/85/75/48/528857548.db2.gz ZXNPZAFXQKHZND-UHFFFAOYSA-N 1 0 249.785 3.810 20 30 BHEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493442784 526626088 /nfs/dbraw/zinc/62/60/88/526626088.db2.gz OXAIDISIUYJSBX-CVEARBPZSA-N 1 0 229.367 3.564 20 30 BHEDRO C=C(C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000493442785 526626977 /nfs/dbraw/zinc/62/69/77/526626977.db2.gz OXAIDISIUYJSBX-HOTGVXAUSA-N 1 0 229.367 3.564 20 30 BHEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493442786 526626636 /nfs/dbraw/zinc/62/66/36/526626636.db2.gz OXAIDISIUYJSBX-HZPDHXFCSA-N 1 0 229.367 3.564 20 30 BHEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000493442787 526626428 /nfs/dbraw/zinc/62/64/28/526626428.db2.gz OXAIDISIUYJSBX-JKSUJKDBSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000493706897 527172550 /nfs/dbraw/zinc/17/25/50/527172550.db2.gz NKKRZADQECLZJR-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000493706898 527172800 /nfs/dbraw/zinc/17/28/00/527172800.db2.gz NKKRZADQECLZJR-RRFJBIMHSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000493706899 527172958 /nfs/dbraw/zinc/17/29/58/527172958.db2.gz NKKRZADQECLZJR-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000493706900 527172173 /nfs/dbraw/zinc/17/21/73/527172173.db2.gz NKKRZADQECLZJR-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000494038919 527139260 /nfs/dbraw/zinc/13/92/60/527139260.db2.gz NGBNXFHBVQZGQF-DVOMOZLQSA-N 1 0 229.367 3.783 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000494038920 527139785 /nfs/dbraw/zinc/13/97/85/527139785.db2.gz NGBNXFHBVQZGQF-HEHGZKQESA-N 1 0 229.367 3.783 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000494038921 527138855 /nfs/dbraw/zinc/13/88/55/527138855.db2.gz NGBNXFHBVQZGQF-WWGRRREGSA-N 1 0 229.367 3.783 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000494038922 527138904 /nfs/dbraw/zinc/13/89/04/527138904.db2.gz NGBNXFHBVQZGQF-XEZPLFJOSA-N 1 0 229.367 3.783 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494087458 527138498 /nfs/dbraw/zinc/13/84/98/527138498.db2.gz GTVMJAMIJSEIHD-JTQLQIEISA-N 1 0 246.379 3.659 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494087459 527032052 /nfs/dbraw/zinc/03/20/52/527032052.db2.gz GTVMJAMIJSEIHD-SNVBAGLBSA-N 1 0 246.379 3.659 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000494100663 527251221 /nfs/dbraw/zinc/25/12/21/527251221.db2.gz YKXJQPVAMPVKEK-CHWSQXEVSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCS[C@@H](C)CC1 ZINC000494100664 527250935 /nfs/dbraw/zinc/25/09/35/527250935.db2.gz YKXJQPVAMPVKEK-OLZOCXBDSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000494100665 527276016 /nfs/dbraw/zinc/27/60/16/527276016.db2.gz YKXJQPVAMPVKEK-QWHCGFSZSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCS[C@@H](C)CC1 ZINC000494100666 527275311 /nfs/dbraw/zinc/27/53/11/527275311.db2.gz YKXJQPVAMPVKEK-STQMWFEESA-N 1 0 227.417 3.559 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494135783 526851017 /nfs/dbraw/zinc/85/10/17/526851017.db2.gz IMPYYEYNURLUOW-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C/C(=C\c1ccccc1)C[N@H+](C)CCCCC#N ZINC000494261646 527532909 /nfs/dbraw/zinc/53/29/09/527532909.db2.gz HKTWQAMQLLNPKW-FYWRMAATSA-N 1 0 242.366 3.716 20 30 BHEDRO C/C(=C/c1ccccc1)C[N@H+](C)CCCCC#N ZINC000494261647 527504928 /nfs/dbraw/zinc/50/49/28/527504928.db2.gz HKTWQAMQLLNPKW-SQFISAMPSA-N 1 0 242.366 3.716 20 30 BHEDRO C=C(CC)C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494293687 526849072 /nfs/dbraw/zinc/84/90/72/526849072.db2.gz RNSSALWYQZRIOW-PTNGSMBKSA-N 1 0 229.367 3.988 20 30 BHEDRO C=C(CC)C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494293688 526849357 /nfs/dbraw/zinc/84/93/57/526849357.db2.gz RNSSALWYQZRIOW-RVDMUPIBSA-N 1 0 229.367 3.988 20 30 BHEDRO C=CC[N@H+](C)CCSc1ccc(Cl)cc1 ZINC000494627379 527575122 /nfs/dbraw/zinc/57/51/22/527575122.db2.gz YUWOBEPJWXQVFB-UHFFFAOYSA-N 1 0 241.787 3.550 20 30 BHEDRO C=CC[N@H+](C)CCc1ccc2ccccc2c1 ZINC000494628020 527574309 /nfs/dbraw/zinc/57/43/09/527574309.db2.gz AESWLVMZZAAMIO-UHFFFAOYSA-N 1 0 225.335 3.500 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(SC(C)C)cc1 ZINC000494638313 527574774 /nfs/dbraw/zinc/57/47/74/527574774.db2.gz QGCNVPQWBDCRRE-UHFFFAOYSA-N 1 0 235.396 3.805 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)CCSc1ccccc1 ZINC000494689422 527578056 /nfs/dbraw/zinc/57/80/56/527578056.db2.gz HRUKESFJXYPYAE-CYBMUJFWSA-N 1 0 235.396 3.675 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)CCSc1ccccc1 ZINC000494689423 527578130 /nfs/dbraw/zinc/57/81/30/527578130.db2.gz HRUKESFJXYPYAE-ZDUSSCGKSA-N 1 0 235.396 3.675 20 30 BHEDRO C=CC[N@H+](C)CCSc1ccc(C)c(C)c1 ZINC000494692125 527575744 /nfs/dbraw/zinc/57/57/44/527575744.db2.gz WONSGDJGNXZSQY-UHFFFAOYSA-N 1 0 235.396 3.513 20 30 BHEDRO C=CC[N@@H+](C)Cc1c(C)ccc2ccccc21 ZINC000494700646 527575492 /nfs/dbraw/zinc/57/54/92/527575492.db2.gz WWNFKADBBPKBLS-UHFFFAOYSA-N 1 0 225.335 3.766 20 30 BHEDRO C=CC[N@H+](C)CCCc1cccc2ccccc21 ZINC000494710753 527573540 /nfs/dbraw/zinc/57/35/40/527573540.db2.gz QOFGMWYKSIJWPO-UHFFFAOYSA-N 1 0 239.362 3.890 20 30 BHEDRO CC#CC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000494714997 526382133 /nfs/dbraw/zinc/38/21/33/526382133.db2.gz KTPXRBXYALRRMK-GOSISDBHSA-N 1 0 249.357 3.697 20 30 BHEDRO CC#CC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000494714998 526382964 /nfs/dbraw/zinc/38/29/64/526382964.db2.gz KTPXRBXYALRRMK-SFHVURJKSA-N 1 0 249.357 3.697 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000494786639 527171377 /nfs/dbraw/zinc/17/13/77/527171377.db2.gz GGFDWUNXEPDAPG-GDBMZVCRSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000494786640 527170017 /nfs/dbraw/zinc/17/00/17/527170017.db2.gz GGFDWUNXEPDAPG-GOEBONIOSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000494786641 527169502 /nfs/dbraw/zinc/16/95/02/527169502.db2.gz GGFDWUNXEPDAPG-HOCLYGCPSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000494786642 527171153 /nfs/dbraw/zinc/17/11/53/527171153.db2.gz GGFDWUNXEPDAPG-ZBFHGGJFSA-N 1 0 247.382 3.709 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(Cl)cs1 ZINC000494928234 527191934 /nfs/dbraw/zinc/19/19/34/527191934.db2.gz DBRFGYVONIHTNC-UHFFFAOYSA-N 1 0 229.776 3.800 20 30 BHEDRO C=CC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000494981236 526979773 /nfs/dbraw/zinc/97/97/73/526979773.db2.gz SHNFCBNKQREHIE-UHFFFAOYSA-N 1 0 241.787 3.800 20 30 BHEDRO C=CCCCCC[N@@H+](C)C/C=C/c1ccncc1 ZINC000494985610 527127557 /nfs/dbraw/zinc/12/75/57/527127557.db2.gz LNCUQWMLTDHCOJ-CMDGGOBGSA-N 1 0 244.382 3.773 20 30 BHEDRO C=CCCCCC[N@@H+](C)C/C=C\c1ccncc1 ZINC000494985611 527127472 /nfs/dbraw/zinc/12/74/72/527127472.db2.gz LNCUQWMLTDHCOJ-HJWRWDBZSA-N 1 0 244.382 3.773 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000495025320 527296454 /nfs/dbraw/zinc/29/64/54/527296454.db2.gz HALXJDOCLYJXKI-HSBZDZAISA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000495025321 527271080 /nfs/dbraw/zinc/27/10/80/527271080.db2.gz HALXJDOCLYJXKI-IYXRBSQSSA-N 1 0 239.403 3.667 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc(Cl)cs1 ZINC000495077076 526546937 /nfs/dbraw/zinc/54/69/37/526546937.db2.gz CVRPJFDTAWSJBR-UHFFFAOYSA-N 1 0 229.776 3.800 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1sccc1Cl ZINC000495078118 526549809 /nfs/dbraw/zinc/54/98/09/526549809.db2.gz HZGASYDQPFPQDS-UHFFFAOYSA-N 1 0 229.776 3.800 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)[C@H]1C ZINC000495080069 533964283 /nfs/dbraw/zinc/96/42/83/533964283.db2.gz BNEKRQUEWLZVDN-CLWVCHIJSA-N 1 0 242.366 3.666 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)[C@@H]1C ZINC000495080073 533958742 /nfs/dbraw/zinc/95/87/42/533958742.db2.gz BNEKRQUEWLZVDN-VDERGJSUSA-N 1 0 242.366 3.666 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)[C@H]1C ZINC000495080074 226276252 /nfs/dbraw/zinc/27/62/52/226276252.db2.gz BNEKRQUEWLZVDN-VRKREXBASA-N 1 0 242.366 3.666 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)[C@@H]1C ZINC000495080077 533964540 /nfs/dbraw/zinc/96/45/40/533964540.db2.gz BNEKRQUEWLZVDN-XOUADPBQSA-N 1 0 242.366 3.666 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000495192314 527195112 /nfs/dbraw/zinc/19/51/12/527195112.db2.gz IKAXZGCJTXFHSU-CYBMUJFWSA-N 1 0 237.412 3.967 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000495192322 527196139 /nfs/dbraw/zinc/19/61/39/527196139.db2.gz IKAXZGCJTXFHSU-ZDUSSCGKSA-N 1 0 237.412 3.967 20 30 BHEDRO C=CC[N@H+](CCc1ccco1)C[C@H]1CC=CCC1 ZINC000495200191 526324859 /nfs/dbraw/zinc/32/48/59/526324859.db2.gz IFLNTTFHDDJCBO-HNNXBMFYSA-N 1 0 245.366 3.666 20 30 BHEDRO C=CC[N@H+](CCc1ccco1)C[C@@H]1CC=CCC1 ZINC000495200192 526325441 /nfs/dbraw/zinc/32/54/41/526325441.db2.gz IFLNTTFHDDJCBO-OAHLLOKOSA-N 1 0 245.366 3.666 20 30 BHEDRO C=C(CC)C[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000495248180 526851564 /nfs/dbraw/zinc/85/15/64/526851564.db2.gz LQGJECMEHHYKAN-CYBMUJFWSA-N 1 0 237.412 3.967 20 30 BHEDRO C=C(CC)C[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000495248181 526851209 /nfs/dbraw/zinc/85/12/09/526851209.db2.gz LQGJECMEHHYKAN-ZDUSSCGKSA-N 1 0 237.412 3.967 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000495428277 527426521 /nfs/dbraw/zinc/42/65/21/527426521.db2.gz WJLCARVZNUNWJR-CHWSQXEVSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000495428278 527427018 /nfs/dbraw/zinc/42/70/18/527427018.db2.gz WJLCARVZNUNWJR-OLZOCXBDSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000495428279 527467237 /nfs/dbraw/zinc/46/72/37/527467237.db2.gz WJLCARVZNUNWJR-QWHCGFSZSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000495428280 527466889 /nfs/dbraw/zinc/46/68/89/527466889.db2.gz WJLCARVZNUNWJR-STQMWFEESA-N 1 0 239.403 3.667 20 30 BHEDRO C=C(C)C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000495479689 526626654 /nfs/dbraw/zinc/62/66/54/526626654.db2.gz KNMURDFQEUTHMZ-HNNXBMFYSA-N 1 0 235.346 3.559 20 30 BHEDRO C=C(C)C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000495479690 526626388 /nfs/dbraw/zinc/62/63/88/526626388.db2.gz KNMURDFQEUTHMZ-OAHLLOKOSA-N 1 0 235.346 3.559 20 30 BHEDRO C=C(C)C[N@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000497129785 384305441 /nfs/dbraw/zinc/30/54/41/384305441.db2.gz NLIMYXLILOINNQ-PLNGDYQASA-N 1 0 235.758 3.861 20 30 BHEDRO C=C(C)C[N@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000497129794 384303315 /nfs/dbraw/zinc/30/33/15/384303315.db2.gz NLIMYXLILOINNQ-SNAWJCMRSA-N 1 0 235.758 3.861 20 30 BHEDRO C=C(C)C[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000497139957 384733001 /nfs/dbraw/zinc/73/30/01/384733001.db2.gz BGIOIPHSCWFKDX-UVTDQMKNSA-N 1 0 215.340 3.598 20 30 BHEDRO C=C(C)C[N@@H+](C)C[C@H](CC)c1ccccc1 ZINC000497160986 385766290 /nfs/dbraw/zinc/76/62/90/385766290.db2.gz KNWBWCNJLSTKPA-AWEZNQCLSA-N 1 0 217.356 3.688 20 30 BHEDRO C=C(C)C[N@@H+](C)C[C@@H](CC)c1ccccc1 ZINC000497160987 385766339 /nfs/dbraw/zinc/76/63/39/385766339.db2.gz KNWBWCNJLSTKPA-CQSZACIVSA-N 1 0 217.356 3.688 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000497179842 384764920 /nfs/dbraw/zinc/76/49/20/384764920.db2.gz LVTFHOYKJMZEFZ-UHFFFAOYSA-N 1 0 241.334 3.955 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cc2ccccc2s1 ZINC000497227306 526502330 /nfs/dbraw/zinc/50/23/30/526502330.db2.gz IEWPLCBMDYMZDB-UHFFFAOYSA-N 1 0 231.364 3.909 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000497361724 385002395 /nfs/dbraw/zinc/00/23/95/385002395.db2.gz DVTDRZJEIZBLHY-HNNXBMFYSA-N 1 0 217.356 3.892 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000497361730 385002843 /nfs/dbraw/zinc/00/28/43/385002843.db2.gz DVTDRZJEIZBLHY-OAHLLOKOSA-N 1 0 217.356 3.892 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498766954 527570849 /nfs/dbraw/zinc/57/08/49/527570849.db2.gz LGNFEFMNGACEMX-BLLLJJGKSA-N 1 0 245.341 3.926 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498766959 527571487 /nfs/dbraw/zinc/57/14/87/527571487.db2.gz LGNFEFMNGACEMX-LRDDRELGSA-N 1 0 245.341 3.926 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498766960 527416180 /nfs/dbraw/zinc/41/61/80/527416180.db2.gz LGNFEFMNGACEMX-MLGOLLRUSA-N 1 0 245.341 3.926 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498766962 527416387 /nfs/dbraw/zinc/41/63/87/527416387.db2.gz LGNFEFMNGACEMX-WBMJQRKESA-N 1 0 245.341 3.926 20 30 BHEDRO CC#CCC[NH2+]C[C@H](CCC)c1ccccc1 ZINC000499214026 526337206 /nfs/dbraw/zinc/33/72/06/526337206.db2.gz OEGQOOGQGVZGSW-INIZCTEOSA-N 1 0 229.367 3.573 20 30 BHEDRO CC#CCC[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000499214027 526337306 /nfs/dbraw/zinc/33/73/06/526337306.db2.gz OEGQOOGQGVZGSW-MRXNPFEDSA-N 1 0 229.367 3.573 20 30 BHEDRO CC#CCC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000499217227 526338766 /nfs/dbraw/zinc/33/87/66/526338766.db2.gz UYRATOPZFGYODO-UHFFFAOYSA-N 1 0 241.334 3.553 20 30 BHEDRO C=C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000500121542 526902622 /nfs/dbraw/zinc/90/26/22/526902622.db2.gz GFIPFZVRSQVRDA-UHFFFAOYSA-N 1 0 239.428 3.704 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000500211444 526606345 /nfs/dbraw/zinc/60/63/45/526606345.db2.gz ULBMCSGNTJKQHE-INIZCTEOSA-N 1 0 229.367 3.578 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000500211445 526606974 /nfs/dbraw/zinc/60/69/74/526606974.db2.gz ULBMCSGNTJKQHE-MRXNPFEDSA-N 1 0 229.367 3.578 20 30 BHEDRO C=C(C)C[N@H+](CCC)CCc1cccc(F)c1 ZINC000500230014 526550731 /nfs/dbraw/zinc/55/07/31/526550731.db2.gz NMQQEUUTLNGWHR-UHFFFAOYSA-N 1 0 235.346 3.656 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000500804410 490562817 /nfs/dbraw/zinc/56/28/17/490562817.db2.gz GPKYHCJQWJMKEK-DZGCQCFKSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000500804411 490563020 /nfs/dbraw/zinc/56/30/20/490563020.db2.gz GPKYHCJQWJMKEK-HIFRSBDPSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000500804412 490563015 /nfs/dbraw/zinc/56/30/15/490563015.db2.gz GPKYHCJQWJMKEK-UKRRQHHQSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000500804413 490562605 /nfs/dbraw/zinc/56/26/05/490562605.db2.gz GPKYHCJQWJMKEK-ZFWWWQNUSA-N 1 0 233.330 3.757 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)[C@H](C)CCC ZINC000500953096 526378547 /nfs/dbraw/zinc/37/85/47/526378547.db2.gz HTKZSKZQXNPXHR-GFCCVEGCSA-N 1 0 223.385 3.925 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)[C@@H](C)CCC ZINC000500953100 526379590 /nfs/dbraw/zinc/37/95/90/526379590.db2.gz HTKZSKZQXNPXHR-LBPRGKRZSA-N 1 0 223.385 3.925 20 30 BHEDRO C=CC[N@H+](CCSC1CCCCC1)C1CC1 ZINC000500979110 526308064 /nfs/dbraw/zinc/30/80/64/526308064.db2.gz AOWAMYVWADDFSP-UHFFFAOYSA-N 1 0 239.428 3.703 20 30 BHEDRO C=C(C)[C@H]([NH2+][C@@H](C)CC)c1ccc(F)c(F)c1 ZINC000501033532 526822391 /nfs/dbraw/zinc/82/23/91/526822391.db2.gz ULECQUOZOUZHDF-HZMBPMFUSA-N 1 0 239.309 3.970 20 30 BHEDRO C=C(C)[C@@H]([NH2+][C@@H](C)CC)c1ccc(F)c(F)c1 ZINC000501033533 526758718 /nfs/dbraw/zinc/75/87/18/526758718.db2.gz ULECQUOZOUZHDF-IINYFYTJSA-N 1 0 239.309 3.970 20 30 BHEDRO C=C(C)[C@@H]([NH2+][C@H](C)CC)c1ccc(F)c(F)c1 ZINC000501033534 526758268 /nfs/dbraw/zinc/75/82/68/526758268.db2.gz ULECQUOZOUZHDF-QMTHXVAHSA-N 1 0 239.309 3.970 20 30 BHEDRO C=C(C)[C@H]([NH2+][C@H](C)CC)c1ccc(F)c(F)c1 ZINC000501033535 526821761 /nfs/dbraw/zinc/82/17/61/526821761.db2.gz ULECQUOZOUZHDF-YGRLFVJLSA-N 1 0 239.309 3.970 20 30 BHEDRO C=C(C)C[N@H+](C)CCSC1CCCCC1 ZINC000501051786 526502992 /nfs/dbraw/zinc/50/29/92/526502992.db2.gz LHXNTLDJUWEUQF-UHFFFAOYSA-N 1 0 227.417 3.560 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1F)[C@H](C)CC ZINC000501080290 526366670 /nfs/dbraw/zinc/36/66/70/526366670.db2.gz WFOHSQIBSIDUND-GFCCVEGCSA-N 1 0 221.319 3.612 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)CC ZINC000501080291 526366455 /nfs/dbraw/zinc/36/64/55/526366455.db2.gz WFOHSQIBSIDUND-LBPRGKRZSA-N 1 0 221.319 3.612 20 30 BHEDRO CCC[C@H](C)[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000501101416 528049413 /nfs/dbraw/zinc/04/94/13/528049413.db2.gz BJFZRPZUXBRIMK-AWEZNQCLSA-N 1 0 244.382 3.959 20 30 BHEDRO CCC[C@@H](C)[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000501101424 528889394 /nfs/dbraw/zinc/88/93/94/528889394.db2.gz BJFZRPZUXBRIMK-CQSZACIVSA-N 1 0 244.382 3.959 20 30 BHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)CCC ZINC000501114952 526346710 /nfs/dbraw/zinc/34/67/10/526346710.db2.gz XCONWFRLFSSNAM-AWEZNQCLSA-N 1 0 242.366 3.735 20 30 BHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CCC ZINC000501114953 526347505 /nfs/dbraw/zinc/34/75/05/526347505.db2.gz XCONWFRLFSSNAM-CQSZACIVSA-N 1 0 242.366 3.735 20 30 BHEDRO CC(C)CC[N@H+](CC1(C#N)CC1)C1CCCC1 ZINC000501546438 527710817 /nfs/dbraw/zinc/71/08/17/527710817.db2.gz FGLWFMUPWSKLEX-UHFFFAOYSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CCC[N@H+](C)CCSC1CCCCC1 ZINC000501884166 527320915 /nfs/dbraw/zinc/32/09/15/527320915.db2.gz CIONNQQPUAAKTP-UHFFFAOYSA-N 1 0 227.417 3.560 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)c1ccccc1 ZINC000502251720 526882739 /nfs/dbraw/zinc/88/27/39/526882739.db2.gz SMKCQOQQNXCVPW-GVDBMIGSSA-N 1 0 241.378 3.868 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)c1ccccc1 ZINC000502251721 526883788 /nfs/dbraw/zinc/88/37/88/526883788.db2.gz SMKCQOQQNXCVPW-ZACQAIPSSA-N 1 0 241.378 3.868 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC1(COC)CCC1 ZINC000502368214 527467097 /nfs/dbraw/zinc/46/70/97/527467097.db2.gz FKZSXLXHPLUGNF-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC1(COC)CCC1 ZINC000502368215 527426665 /nfs/dbraw/zinc/42/66/65/527426665.db2.gz FKZSXLXHPLUGNF-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000502395741 527298010 /nfs/dbraw/zinc/29/80/10/527298010.db2.gz XXAXMOSIQBWZHT-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000502395742 527296761 /nfs/dbraw/zinc/29/67/61/527296761.db2.gz XXAXMOSIQBWZHT-RRFJBIMHSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000502395743 527296903 /nfs/dbraw/zinc/29/69/03/527296903.db2.gz XXAXMOSIQBWZHT-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000502395744 527298004 /nfs/dbraw/zinc/29/80/04/527298004.db2.gz XXAXMOSIQBWZHT-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503125031 527425223 /nfs/dbraw/zinc/42/52/23/527425223.db2.gz YVNUKQZGFAXUHB-CYBMUJFWSA-N 1 0 242.366 3.655 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503125032 527464977 /nfs/dbraw/zinc/46/49/77/527464977.db2.gz YVNUKQZGFAXUHB-ZDUSSCGKSA-N 1 0 242.366 3.655 20 30 BHEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503556801 527414746 /nfs/dbraw/zinc/41/47/46/527414746.db2.gz GASKDAHYOZULTJ-GFCCVEGCSA-N 1 0 243.306 3.736 20 30 BHEDRO C=C[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503556802 527569532 /nfs/dbraw/zinc/56/95/32/527569532.db2.gz GASKDAHYOZULTJ-LBPRGKRZSA-N 1 0 243.306 3.736 20 30 BHEDRO C=CC[N@@H+](C/C(C)=C\c1ccccc1)C1CC1 ZINC000503560635 527579370 /nfs/dbraw/zinc/57/93/70/527579370.db2.gz XYMMHFZXXCEPCK-OWBHPGMISA-N 1 0 227.351 3.740 20 30 BHEDRO C=CC[N@@H+](C/C(C)=C/c1ccccc1)C1CC1 ZINC000503560636 527578994 /nfs/dbraw/zinc/57/89/94/527578994.db2.gz XYMMHFZXXCEPCK-WYMLVPIESA-N 1 0 227.351 3.740 20 30 BHEDRO C=CC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000503575774 527580177 /nfs/dbraw/zinc/58/01/77/527580177.db2.gz JRYQHNBATVWDGV-INIZCTEOSA-N 1 0 227.351 3.714 20 30 BHEDRO C=CC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000503575775 527580560 /nfs/dbraw/zinc/58/05/60/527580560.db2.gz JRYQHNBATVWDGV-MRXNPFEDSA-N 1 0 227.351 3.714 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(C#N)cc1F ZINC000503960119 533986905 /nfs/dbraw/zinc/98/69/05/533986905.db2.gz ZRWKQYWNGPUCSH-JRPNMDOOSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000503960121 226337137 /nfs/dbraw/zinc/33/71/37/226337137.db2.gz ZRWKQYWNGPUCSH-PGUXBMHVSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(C#N)cc1F ZINC000503960122 533999345 /nfs/dbraw/zinc/99/93/45/533999345.db2.gz ZRWKQYWNGPUCSH-ZETOZRRWSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000503960124 533982372 /nfs/dbraw/zinc/98/23/72/533982372.db2.gz ZRWKQYWNGPUCSH-ZIBATOQPSA-N 1 0 246.329 3.537 20 30 BHEDRO CC[N@H+](CCC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000503994349 528406215 /nfs/dbraw/zinc/40/62/15/528406215.db2.gz XEFXMKJQSXEVNA-AWEZNQCLSA-N 1 0 244.382 3.987 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000505255028 528409064 /nfs/dbraw/zinc/40/90/64/528409064.db2.gz QPLKUVVXOLLXRF-CYBMUJFWSA-N 1 0 242.366 3.567 20 30 BHEDRO CC(C)[C@H](C)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000505255029 528959950 /nfs/dbraw/zinc/95/99/50/528959950.db2.gz QPLKUVVXOLLXRF-ZDUSSCGKSA-N 1 0 242.366 3.567 20 30 BHEDRO CCC(CC)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000505270591 528737112 /nfs/dbraw/zinc/73/71/12/528737112.db2.gz CPFLNRIRRHEKBI-UHFFFAOYSA-N 1 0 248.345 3.565 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000505276532 528408362 /nfs/dbraw/zinc/40/83/62/528408362.db2.gz HNZVKINZWCFDQJ-CYBMUJFWSA-N 1 0 242.366 3.567 20 30 BHEDRO CC(C)[C@H](C)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000505276533 528959788 /nfs/dbraw/zinc/95/97/88/528959788.db2.gz HNZVKINZWCFDQJ-ZDUSSCGKSA-N 1 0 242.366 3.567 20 30 BHEDRO C=CCOc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000505460613 256795732 /nfs/dbraw/zinc/79/57/32/256795732.db2.gz DJLJROLZMVFUGI-UHFFFAOYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CCOc1cccc(C[NH+]2CCCCCC2)c1 ZINC000505461307 526898900 /nfs/dbraw/zinc/89/89/00/526898900.db2.gz JMSZADYUAPMLBV-UHFFFAOYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCc1ccccc1OC ZINC000505528334 526546494 /nfs/dbraw/zinc/54/64/94/526546494.db2.gz QGGZJJMAGQCFGN-UHFFFAOYSA-N 1 0 247.382 3.526 20 30 BHEDRO C=CCCC[N@@H+](C)CCCc1ccccc1OC ZINC000505603722 527192688 /nfs/dbraw/zinc/19/26/88/527192688.db2.gz CEPIDDOUPPGETJ-UHFFFAOYSA-N 1 0 247.382 3.526 20 30 BHEDRO C=C(C)C[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000505785289 526575087 /nfs/dbraw/zinc/57/50/87/526575087.db2.gz TVYOUWKNFFNJRU-CYBMUJFWSA-N 1 0 215.340 3.788 20 30 BHEDRO C=C(C)C[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000505785290 526575733 /nfs/dbraw/zinc/57/57/33/526575733.db2.gz TVYOUWKNFFNJRU-ZDUSSCGKSA-N 1 0 215.340 3.788 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505833658 526605434 /nfs/dbraw/zinc/60/54/34/526605434.db2.gz QKGKFXXRVUBUHZ-BLIJAFNYSA-N 1 0 227.351 3.740 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505833659 526605966 /nfs/dbraw/zinc/60/59/66/526605966.db2.gz QKGKFXXRVUBUHZ-OFAQMXQXSA-N 1 0 227.351 3.740 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505833660 526606898 /nfs/dbraw/zinc/60/68/98/526606898.db2.gz QKGKFXXRVUBUHZ-SIFUEBAJSA-N 1 0 227.351 3.740 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505833661 526605765 /nfs/dbraw/zinc/60/57/65/526605765.db2.gz QKGKFXXRVUBUHZ-SNGWPZLWSA-N 1 0 227.351 3.740 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)ccc1F ZINC000505842518 526546228 /nfs/dbraw/zinc/54/62/28/526546228.db2.gz LBNVSQJVNGOOCI-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=CCOc1ccc(C[N@H+](CC)CC(=C)C)cc1 ZINC000505842617 526862900 /nfs/dbraw/zinc/86/29/00/526862900.db2.gz NANNUVBDFLCCSK-UHFFFAOYSA-N 1 0 245.366 3.649 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc2cc(F)ccc2o1 ZINC000505848793 526547494 /nfs/dbraw/zinc/54/74/94/526547494.db2.gz ZPYXELOTKBOZEN-UHFFFAOYSA-N 1 0 247.313 3.970 20 30 BHEDRO C=CC[NH+](CC=C)C/C(C)=C/c1ccccc1 ZINC000505852958 527642832 /nfs/dbraw/zinc/64/28/32/527642832.db2.gz DFEIMGGWDJRYMT-FYWRMAATSA-N 1 0 227.351 3.764 20 30 BHEDRO C=CC[NH+](CC=C)C/C(C)=C\c1ccccc1 ZINC000505852959 527642567 /nfs/dbraw/zinc/64/25/67/527642567.db2.gz DFEIMGGWDJRYMT-SQFISAMPSA-N 1 0 227.351 3.764 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc2ccccc2o1 ZINC000505858753 526546322 /nfs/dbraw/zinc/54/63/22/526546322.db2.gz JSLLTHPIKBEDAW-UHFFFAOYSA-N 1 0 229.323 3.831 20 30 BHEDRO C=CC[NH+](CC=C)C/C=C/c1ccc(F)cc1 ZINC000505859292 527642132 /nfs/dbraw/zinc/64/21/32/527642132.db2.gz TUTNPYILFGGEDF-AATRIKPKSA-N 1 0 231.314 3.513 20 30 BHEDRO C=CC[NH+](CC=C)C/C=C\c1ccc(F)cc1 ZINC000505859293 527642299 /nfs/dbraw/zinc/64/22/99/527642299.db2.gz TUTNPYILFGGEDF-WAYWQWQTSA-N 1 0 231.314 3.513 20 30 BHEDRO C=CCOc1cccc(C[N@H+](CC)CC(=C)C)c1 ZINC000505863512 526898475 /nfs/dbraw/zinc/89/84/75/526898475.db2.gz DQIMAADIOQZMCL-UHFFFAOYSA-N 1 0 245.366 3.649 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(F)c(C)c1 ZINC000505868615 526548255 /nfs/dbraw/zinc/54/82/55/526548255.db2.gz PTJJICOHCMYTLN-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=CCOc1ccccc1C[N@H+](CC)CC(=C)C ZINC000505869010 526929118 /nfs/dbraw/zinc/92/91/18/526929118.db2.gz TZUWNZVTTPLZFX-UHFFFAOYSA-N 1 0 245.366 3.649 20 30 BHEDRO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000505869013 526865807 /nfs/dbraw/zinc/86/58/07/526865807.db2.gz UAUQTAMFGBTDSP-AWEZNQCLSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000505869014 526865619 /nfs/dbraw/zinc/86/56/19/526865619.db2.gz UAUQTAMFGBTDSP-CQSZACIVSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C(C)C[N@H+](CC)C/C=C\c1ccccc1 ZINC000505869230 526548324 /nfs/dbraw/zinc/54/83/24/526548324.db2.gz VTHSXSYOCRAMLK-FLIBITNWSA-N 1 0 215.340 3.598 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@H]1C[C@H]1c1ccccc1 ZINC000505871861 526547792 /nfs/dbraw/zinc/54/77/92/526547792.db2.gz HCTAIXXZOQZFMD-CVEARBPZSA-N 1 0 229.367 3.688 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@H]1C[C@@H]1c1ccccc1 ZINC000505871862 526547412 /nfs/dbraw/zinc/54/74/12/526547412.db2.gz HCTAIXXZOQZFMD-HZPDHXFCSA-N 1 0 229.367 3.688 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000505871863 526548048 /nfs/dbraw/zinc/54/80/48/526548048.db2.gz HCTAIXXZOQZFMD-JKSUJKDBSA-N 1 0 229.367 3.688 20 30 BHEDRO C=C(C)C[N@H+](CC)C/C=C\c1ccccc1OC ZINC000505875761 526546978 /nfs/dbraw/zinc/54/69/78/526546978.db2.gz AQUNDZDCRLWAJT-NTMALXAHSA-N 1 0 245.366 3.606 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(F)cc1C ZINC000505876107 526547524 /nfs/dbraw/zinc/54/75/24/526547524.db2.gz FUJYVLLFVVMATF-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=C(C)C[N@@H+](CC)C/C(C)=C\c1ccccc1 ZINC000505877643 526547001 /nfs/dbraw/zinc/54/70/01/526547001.db2.gz UTLNBYILMHOZGB-PTNGSMBKSA-N 1 0 229.367 3.988 20 30 BHEDRO C=C(C)C[N@@H+](CC)C/C(C)=C/c1ccccc1 ZINC000505877644 526547807 /nfs/dbraw/zinc/54/78/07/526547807.db2.gz UTLNBYILMHOZGB-RVDMUPIBSA-N 1 0 229.367 3.988 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000505877848 526546552 /nfs/dbraw/zinc/54/65/52/526546552.db2.gz XGPAWPNLSOATPZ-GXTWGEPZSA-N 1 0 233.355 3.801 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000505877849 526548097 /nfs/dbraw/zinc/54/80/97/526548097.db2.gz XGPAWPNLSOATPZ-JSGCOSHPSA-N 1 0 233.355 3.801 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000505877850 526548389 /nfs/dbraw/zinc/54/83/89/526548389.db2.gz XGPAWPNLSOATPZ-OCCSQVGLSA-N 1 0 233.355 3.801 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000505877851 526548361 /nfs/dbraw/zinc/54/83/61/526548361.db2.gz XGPAWPNLSOATPZ-TZMCWYRMSA-N 1 0 233.355 3.801 20 30 BHEDRO C=CC[NH+](CC=C)Cc1coc2ccccc12 ZINC000505881248 527643904 /nfs/dbraw/zinc/64/39/04/527643904.db2.gz HVBRIUQHCZANTK-UHFFFAOYSA-N 1 0 227.307 3.607 20 30 BHEDRO C=C(C)C[N@H+](CC)C/C=C/c1ccc(F)cc1 ZINC000505881841 526546603 /nfs/dbraw/zinc/54/66/03/526546603.db2.gz UBZJMDLGDCRVJQ-AATRIKPKSA-N 1 0 233.330 3.737 20 30 BHEDRO C=C(C)C[N@H+](CC)C/C=C\c1ccc(F)cc1 ZINC000505881842 526548279 /nfs/dbraw/zinc/54/82/79/526548279.db2.gz UBZJMDLGDCRVJQ-WAYWQWQTSA-N 1 0 233.330 3.737 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccc(Cl)c(F)c1 ZINC000505886467 527643647 /nfs/dbraw/zinc/64/36/47/527643647.db2.gz FYLCMKUAKOARKF-UHFFFAOYSA-N 1 0 239.721 3.653 20 30 BHEDRO C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000505886512 526897652 /nfs/dbraw/zinc/89/76/52/526897652.db2.gz GXIINPVJHHHSHW-AWEZNQCLSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1cccc(C[N@H+]2CCCC[C@H]2C)c1 ZINC000505886513 526898063 /nfs/dbraw/zinc/89/80/63/526898063.db2.gz GXIINPVJHHHSHW-CQSZACIVSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cccc2cc[nH]c21 ZINC000505886944 526547932 /nfs/dbraw/zinc/54/79/32/526547932.db2.gz OZBPRWRZVSZMNB-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CC[NH+](CC=C)Cc1cc2cc(F)ccc2o1 ZINC000505892193 527643947 /nfs/dbraw/zinc/64/39/47/527643947.db2.gz YEDOMFBVMVRFJO-UHFFFAOYSA-N 1 0 245.297 3.746 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)c(F)c1 ZINC000505897889 526547332 /nfs/dbraw/zinc/54/73/32/526547332.db2.gz JJAYDXXDIKLRAA-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=CC[NH+](CC=C)Cc1cc2ccccc2o1 ZINC000505903050 527644087 /nfs/dbraw/zinc/64/40/87/527644087.db2.gz MIMPWFMNBASOMI-UHFFFAOYSA-N 1 0 227.307 3.607 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1coc2ccccc12 ZINC000505903667 526547229 /nfs/dbraw/zinc/54/72/29/526547229.db2.gz UOGWFLGKRSLZOR-UHFFFAOYSA-N 1 0 229.323 3.831 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccc(F)c(Cl)c1 ZINC000505906583 527644049 /nfs/dbraw/zinc/64/40/49/527644049.db2.gz CBCVRROBZRWDKA-UHFFFAOYSA-N 1 0 239.721 3.653 20 30 BHEDRO C=C(C)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000505911353 526508182 /nfs/dbraw/zinc/50/81/82/526508182.db2.gz CCYATNOIXNOMJQ-INIZCTEOSA-N 1 0 227.351 3.714 20 30 BHEDRO C=C(C)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000505911354 526507893 /nfs/dbraw/zinc/50/78/93/526507893.db2.gz CCYATNOIXNOMJQ-MRXNPFEDSA-N 1 0 227.351 3.714 20 30 BHEDRO C[C@@H]1CCC[C@@H](CC[NH+]2CCC(C)(C#N)CC2)C1 ZINC000506050755 533742739 /nfs/dbraw/zinc/74/27/39/533742739.db2.gz DUOXTIAMFMXHLV-CABCVRRESA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CCC[C@@H](CC[NH+]2CCC(C)(C#N)CC2)C1 ZINC000506050756 226362310 /nfs/dbraw/zinc/36/23/10/226362310.db2.gz DUOXTIAMFMXHLV-GJZGRUSLSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CCC[C@H](CC[NH+]2CCC(C)(C#N)CC2)C1 ZINC000506050757 533836874 /nfs/dbraw/zinc/83/68/74/533836874.db2.gz DUOXTIAMFMXHLV-HUUCEWRRSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CCC[C@H](CC[NH+]2CCC(C)(C#N)CC2)C1 ZINC000506050758 226362308 /nfs/dbraw/zinc/36/23/08/226362308.db2.gz DUOXTIAMFMXHLV-LSDHHAIUSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(Cl)s1)CC1CC1 ZINC000506101662 526335556 /nfs/dbraw/zinc/33/55/56/526335556.db2.gz SKFXEMBWHIRZLS-UHFFFAOYSA-N 1 0 241.787 3.800 20 30 BHEDRO C=CCOc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000506262364 526861850 /nfs/dbraw/zinc/86/18/50/526861850.db2.gz OHGQWLJXCIUZNF-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1cccc(C[N@@H+](C)C2CCCC2)c1 ZINC000506279823 526896039 /nfs/dbraw/zinc/89/60/39/526896039.db2.gz GQKLBABKMBLKAW-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1ccccc1C[N@@H+](C)C1CCCC1 ZINC000506298518 526930387 /nfs/dbraw/zinc/93/03/87/526930387.db2.gz QPZOSNJDUXDYLZ-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C(C)CCSCC[NH+](C(C)C)C(C)C ZINC000506387574 526462111 /nfs/dbraw/zinc/46/21/11/526462111.db2.gz RUFBDPUDOSBCBM-UHFFFAOYSA-N 1 0 229.433 3.805 20 30 BHEDRO C=C(C)CCSCC[N@@H+](C)Cc1ccccc1 ZINC000506394675 526461534 /nfs/dbraw/zinc/46/15/34/526461534.db2.gz KQNCHCPFRRIASK-UHFFFAOYSA-N 1 0 249.423 3.818 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000506833827 526562656 /nfs/dbraw/zinc/56/26/56/526562656.db2.gz JBQSBKWKNLAWLK-UHFFFAOYSA-N 1 0 221.319 3.612 20 30 BHEDRO C=C(C)C[N@@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000506897652 526552451 /nfs/dbraw/zinc/55/24/51/526552451.db2.gz OMAKAVAMNRRIPW-UHFFFAOYSA-N 1 0 229.367 3.790 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507220125 527574290 /nfs/dbraw/zinc/57/42/90/527574290.db2.gz UCWFQYSPXBKQMP-UHFFFAOYSA-N 1 0 237.346 3.971 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(C)(C)C ZINC000507221805 226367455 /nfs/dbraw/zinc/36/74/55/226367455.db2.gz OHZCGTKRSRVRAJ-GFCCVEGCSA-N 1 0 230.355 3.597 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(C)(C)C ZINC000507221806 534047635 /nfs/dbraw/zinc/04/76/35/534047635.db2.gz OHZCGTKRSRVRAJ-LBPRGKRZSA-N 1 0 230.355 3.597 20 30 BHEDRO C=CCOc1ccc(C[N@@H+](CCC)C2CC2)cc1 ZINC000507225676 526862882 /nfs/dbraw/zinc/86/28/82/526862882.db2.gz AVULHQSTMYMEJB-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO CCCC[N@H+](CC(C)(C)CCC#N)C1CC1 ZINC000507225733 528376553 /nfs/dbraw/zinc/37/65/53/528376553.db2.gz DOGOMAWWUGKUPA-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CCOc1ccccc1C[N@@H+](CCC)C1CC1 ZINC000507227967 526929654 /nfs/dbraw/zinc/92/96/54/526929654.db2.gz JLFTUFGMIFBQQB-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000507233827 526861372 /nfs/dbraw/zinc/86/13/72/526861372.db2.gz WBMUANMJUUCUKP-AWEZNQCLSA-N 1 0 247.382 3.728 20 30 BHEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1 ZINC000507233829 526862782 /nfs/dbraw/zinc/86/27/82/526862782.db2.gz WBMUANMJUUCUKP-CQSZACIVSA-N 1 0 247.382 3.728 20 30 BHEDRO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000507246405 526930196 /nfs/dbraw/zinc/93/01/96/526930196.db2.gz IURKRLHQEVYQTP-AWEZNQCLSA-N 1 0 247.382 3.728 20 30 BHEDRO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)C(C)C ZINC000507246406 526930165 /nfs/dbraw/zinc/93/01/65/526930165.db2.gz IURKRLHQEVYQTP-CQSZACIVSA-N 1 0 247.382 3.728 20 30 BHEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000507250464 526895997 /nfs/dbraw/zinc/89/59/97/526895997.db2.gz APAKDKZWJUWFLS-AWEZNQCLSA-N 1 0 247.382 3.728 20 30 BHEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000507250465 526897997 /nfs/dbraw/zinc/89/79/97/526897997.db2.gz APAKDKZWJUWFLS-CQSZACIVSA-N 1 0 247.382 3.728 20 30 BHEDRO C=CCOc1cccc(C[N@@H+](CCC)C2CC2)c1 ZINC000507251963 526898935 /nfs/dbraw/zinc/89/89/35/526898935.db2.gz KXCDSWNFHOTSIG-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CC[N@H+](C)CCc1cccc2ccccc21 ZINC000507280526 527574410 /nfs/dbraw/zinc/57/44/10/527574410.db2.gz QYGJFKORWVCNQH-UHFFFAOYSA-N 1 0 225.335 3.500 20 30 BHEDRO C=C(C)C[N@H+](C)CCc1cccc2ccccc21 ZINC000507292851 526502952 /nfs/dbraw/zinc/50/29/52/526502952.db2.gz OKKLNFRGTCDQCP-UHFFFAOYSA-N 1 0 239.362 3.890 20 30 BHEDRO C=C(C)C[NH+](CC(=C)C)Cc1ccccc1 ZINC000507408661 526507744 /nfs/dbraw/zinc/50/77/44/526507744.db2.gz VMZZHUPDPRHCMP-UHFFFAOYSA-N 1 0 215.340 3.641 20 30 BHEDRO C=CC[NH+](CC=C)CCC1=CCCCC1 ZINC000507411013 527642622 /nfs/dbraw/zinc/64/26/22/527642622.db2.gz ZZVPNQNKHIYZGC-UHFFFAOYSA-N 1 0 205.345 3.551 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507478641 527468090 /nfs/dbraw/zinc/46/80/90/527468090.db2.gz NEEZDBZVZWIGCJ-ILXRZTDVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507478644 527468497 /nfs/dbraw/zinc/46/84/97/527468497.db2.gz NEEZDBZVZWIGCJ-KFWWJZLASA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507478646 527467795 /nfs/dbraw/zinc/46/77/95/527467795.db2.gz NEEZDBZVZWIGCJ-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507478647 527468079 /nfs/dbraw/zinc/46/80/79/527468079.db2.gz NEEZDBZVZWIGCJ-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507510944 527172728 /nfs/dbraw/zinc/17/27/28/527172728.db2.gz NPZRUSFYZMTAAJ-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507510945 527172603 /nfs/dbraw/zinc/17/26/03/527172603.db2.gz NPZRUSFYZMTAAJ-RRFJBIMHSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507510947 527172672 /nfs/dbraw/zinc/17/26/72/527172672.db2.gz NPZRUSFYZMTAAJ-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507510948 527172100 /nfs/dbraw/zinc/17/21/00/527172100.db2.gz NPZRUSFYZMTAAJ-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000507695932 526569278 /nfs/dbraw/zinc/56/92/78/526569278.db2.gz XZQDUOSDIXUTLT-AWEZNQCLSA-N 1 0 217.356 3.863 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000507695934 526569017 /nfs/dbraw/zinc/56/90/17/526569017.db2.gz XZQDUOSDIXUTLT-CQSZACIVSA-N 1 0 217.356 3.863 20 30 BHEDRO CC1(C#N)CC[NH+](CC2CCCCCC2)CC1 ZINC000507711362 528840397 /nfs/dbraw/zinc/84/03/97/528840397.db2.gz YCRQDJPSPAGTDU-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)C[N@H+](Cc1ccc(C#N)o1)C1CCCC1 ZINC000507746200 527945503 /nfs/dbraw/zinc/94/55/03/527945503.db2.gz AUNJIOMRRUFPSL-UHFFFAOYSA-N 1 0 246.354 3.552 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000507851319 526501317 /nfs/dbraw/zinc/50/13/17/526501317.db2.gz JZGJZOAZYHHLDY-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000507863123 526356246 /nfs/dbraw/zinc/35/62/46/526356246.db2.gz XUKOZZFYWYESQO-UHFFFAOYSA-N 1 0 217.356 3.721 20 30 BHEDRO C=C1CC[NH+](Cc2cc(C)cc(Cl)c2)CC1 ZINC000508248584 526904859 /nfs/dbraw/zinc/90/48/59/526904859.db2.gz NJWHGMMWZNNFFW-UHFFFAOYSA-N 1 0 235.758 3.800 20 30 BHEDRO CCC[N@H+](CC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000508608533 527928980 /nfs/dbraw/zinc/92/89/80/527928980.db2.gz KHLCOJONQCXVAL-AWEZNQCLSA-N 1 0 244.382 3.987 20 30 BHEDRO CCC[N@H+](CC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000508608534 527930435 /nfs/dbraw/zinc/93/04/35/527930435.db2.gz KHLCOJONQCXVAL-CQSZACIVSA-N 1 0 244.382 3.987 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000508961929 526438055 /nfs/dbraw/zinc/43/80/55/526438055.db2.gz DJWCZAMAZLLTCN-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000508964957 526447035 /nfs/dbraw/zinc/44/70/35/526447035.db2.gz GGMGMRBMBARVOF-INIZCTEOSA-N 1 0 229.367 3.751 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000508965468 526447307 /nfs/dbraw/zinc/44/73/07/526447307.db2.gz GGMGMRBMBARVOF-MRXNPFEDSA-N 1 0 229.367 3.751 20 30 BHEDRO C=C(C)CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000508967230 526454803 /nfs/dbraw/zinc/45/48/03/526454803.db2.gz ZARXCNJMWJNGHS-UHFFFAOYSA-N 1 0 239.309 3.756 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000508968608 526456136 /nfs/dbraw/zinc/45/61/36/526456136.db2.gz YIVNXZPHTQBDTR-KBPBESRZSA-N 1 0 247.382 3.743 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000508968609 526455746 /nfs/dbraw/zinc/45/57/46/526455746.db2.gz YIVNXZPHTQBDTR-KGLIPLIRSA-N 1 0 247.382 3.743 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000508968610 526455233 /nfs/dbraw/zinc/45/52/33/526455233.db2.gz YIVNXZPHTQBDTR-UONOGXRCSA-N 1 0 247.382 3.743 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000508968611 526455628 /nfs/dbraw/zinc/45/56/28/526455628.db2.gz YIVNXZPHTQBDTR-ZIAGYGMSSA-N 1 0 247.382 3.743 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000508969920 526439147 /nfs/dbraw/zinc/43/91/47/526439147.db2.gz ZEHHEQVDELPGIW-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000508974359 526443507 /nfs/dbraw/zinc/44/35/07/526443507.db2.gz ALOCIYXUCQHEEH-INIZCTEOSA-N 1 0 244.382 3.529 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000508974360 526443858 /nfs/dbraw/zinc/44/38/58/526443858.db2.gz ALOCIYXUCQHEEH-MRXNPFEDSA-N 1 0 244.382 3.529 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000508974828 526455950 /nfs/dbraw/zinc/45/59/50/526455950.db2.gz CLCCZWYJPKHWHZ-HNNXBMFYSA-N 1 0 232.371 3.725 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000508974829 526455940 /nfs/dbraw/zinc/45/59/40/526455940.db2.gz CLCCZWYJPKHWHZ-OAHLLOKOSA-N 1 0 232.371 3.725 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000508977438 526455625 /nfs/dbraw/zinc/45/56/25/526455625.db2.gz NHILZJLLJCJICF-AWEZNQCLSA-N 1 0 231.383 3.909 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000508977440 526455510 /nfs/dbraw/zinc/45/55/10/526455510.db2.gz NHILZJLLJCJICF-CQSZACIVSA-N 1 0 231.383 3.909 20 30 BHEDRO C=C(C)CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000508978245 526441901 /nfs/dbraw/zinc/44/19/01/526441901.db2.gz OUULVLNUIYGCOX-UHFFFAOYSA-N 1 0 207.361 3.631 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000508981351 526455970 /nfs/dbraw/zinc/45/59/70/526455970.db2.gz ZOWYPFPHPCRTRA-INIZCTEOSA-N 1 0 249.373 3.949 20 30 BHEDRO C=C(C)CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000508981353 526456587 /nfs/dbraw/zinc/45/65/87/526456587.db2.gz ZOWYPFPHPCRTRA-MRXNPFEDSA-N 1 0 249.373 3.949 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000508990166 526455153 /nfs/dbraw/zinc/45/51/53/526455153.db2.gz DIKQXOPPUZSKTL-SECBINFHSA-N 1 0 243.272 3.721 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000508990169 526455426 /nfs/dbraw/zinc/45/54/26/526455426.db2.gz DIKQXOPPUZSKTL-VIFPVBQESA-N 1 0 243.272 3.721 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000508990237 526437979 /nfs/dbraw/zinc/43/79/79/526437979.db2.gz HKVQGWYCKBEQPB-UHFFFAOYSA-N 1 0 243.272 3.502 20 30 BHEDRO C=C(C)CC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000508993627 526457373 /nfs/dbraw/zinc/45/73/73/526457373.db2.gz XRQJDRAHADGDEY-INIZCTEOSA-N 1 0 247.382 3.948 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000508993629 526455908 /nfs/dbraw/zinc/45/59/08/526455908.db2.gz XRQJDRAHADGDEY-MRXNPFEDSA-N 1 0 247.382 3.948 20 30 BHEDRO C=C(C)CC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000509008862 526447210 /nfs/dbraw/zinc/44/72/10/526447210.db2.gz SAZNCSPDKRJYCZ-UHFFFAOYSA-N 1 0 235.758 3.664 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000509020141 526455961 /nfs/dbraw/zinc/45/59/61/526455961.db2.gz CABYNBFTVPBZPP-INIZCTEOSA-N 1 0 229.367 3.564 20 30 BHEDRO C=C(C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000509020142 526456613 /nfs/dbraw/zinc/45/66/13/526456613.db2.gz CABYNBFTVPBZPP-MRXNPFEDSA-N 1 0 229.367 3.564 20 30 BHEDRO C=C(C)CC[N@@H+]1CCCC12CCCCC2 ZINC000509020515 526444712 /nfs/dbraw/zinc/44/47/12/526444712.db2.gz DYJNHWBGBGBQTG-UHFFFAOYSA-N 1 0 207.361 3.751 20 30 BHEDRO C=C(C)CC[N@H+](C)CCCc1ccccc1 ZINC000509020717 526438270 /nfs/dbraw/zinc/43/82/70/526438270.db2.gz CRTQCOYLMJFOSE-UHFFFAOYSA-N 1 0 217.356 3.517 20 30 BHEDRO C=C(C)CC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000509021071 526438732 /nfs/dbraw/zinc/43/87/32/526438732.db2.gz HZOQQSKZGPDSBR-UHFFFAOYSA-N 1 0 237.774 3.781 20 30 BHEDRO C=C(C)CC[N@@H+](C(C)C)C1CCCCC1 ZINC000509022406 526437853 /nfs/dbraw/zinc/43/78/53/526437853.db2.gz LEYICSMCCCXZPV-UHFFFAOYSA-N 1 0 209.377 3.996 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000509023845 526444198 /nfs/dbraw/zinc/44/41/98/526444198.db2.gz YTXJDHWMBPGRDJ-KBPBESRZSA-N 1 0 207.361 3.607 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000509023846 526446635 /nfs/dbraw/zinc/44/66/35/526446635.db2.gz YTXJDHWMBPGRDJ-KGLIPLIRSA-N 1 0 207.361 3.607 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000509023849 526444056 /nfs/dbraw/zinc/44/40/56/526444056.db2.gz YTXJDHWMBPGRDJ-UONOGXRCSA-N 1 0 207.361 3.607 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000509023851 526445960 /nfs/dbraw/zinc/44/59/60/526445960.db2.gz YTXJDHWMBPGRDJ-ZIAGYGMSSA-N 1 0 207.361 3.607 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000509028256 526455325 /nfs/dbraw/zinc/45/53/25/526455325.db2.gz FUKXJJGSTABQDI-KRWDZBQOSA-N 1 0 243.394 3.872 20 30 BHEDRO C=C(C)CC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000509028257 526456577 /nfs/dbraw/zinc/45/65/77/526456577.db2.gz FUKXJJGSTABQDI-QGZVFWFLSA-N 1 0 243.394 3.872 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000509034432 526455737 /nfs/dbraw/zinc/45/57/37/526455737.db2.gz SWAVUQIPYIMLRV-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000509034433 526456110 /nfs/dbraw/zinc/45/61/10/526456110.db2.gz SWAVUQIPYIMLRV-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000509148950 526455787 /nfs/dbraw/zinc/45/57/87/526455787.db2.gz CKXXETNCTGGWKY-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000509148952 526455649 /nfs/dbraw/zinc/45/56/49/526455649.db2.gz CKXXETNCTGGWKY-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(C)CC[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000509171750 526441351 /nfs/dbraw/zinc/44/13/51/526441351.db2.gz VFQGBUKTJUDGCU-CYBMUJFWSA-N 1 0 237.412 3.967 20 30 BHEDRO C=C(C)CC[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000509171760 526440037 /nfs/dbraw/zinc/44/00/37/526440037.db2.gz VFQGBUKTJUDGCU-ZDUSSCGKSA-N 1 0 237.412 3.967 20 30 BHEDRO 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20 30 BHEDRO C=C(C)CC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000510744707 526447417 /nfs/dbraw/zinc/44/74/17/526447417.db2.gz IGGZPHFELOCLFJ-UHFFFAOYSA-N 1 0 235.758 3.664 20 30 BHEDRO C=C(C)CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000510746705 526443007 /nfs/dbraw/zinc/44/30/07/526443007.db2.gz MIALTCRXDVRZJY-UHFFFAOYSA-N 1 0 247.357 3.913 20 30 BHEDRO C=C(C)CC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000510747960 526437715 /nfs/dbraw/zinc/43/77/15/526437715.db2.gz IGMOIKBBLYWMAG-NTCAYCPXSA-N 1 0 229.367 3.988 20 30 BHEDRO C=C(C)CC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000510747961 526437929 /nfs/dbraw/zinc/43/79/29/526437929.db2.gz IGMOIKBBLYWMAG-QINSGFPZSA-N 1 0 229.367 3.988 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000510748812 526438576 /nfs/dbraw/zinc/43/85/76/526438576.db2.gz KBHCGJAVLJUAEG-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO C=CCC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000510755743 527326364 /nfs/dbraw/zinc/32/63/64/527326364.db2.gz XCORBKWONMEKSD-UHFFFAOYSA-N 1 0 229.367 3.616 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000510775715 526456111 /nfs/dbraw/zinc/45/61/11/526456111.db2.gz FSIYTKDXGIMZMR-DLBZAZTESA-N 1 0 243.394 3.954 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000510775717 526455458 /nfs/dbraw/zinc/45/54/58/526455458.db2.gz FSIYTKDXGIMZMR-IAGOWNOFSA-N 1 0 243.394 3.954 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000510775719 526456505 /nfs/dbraw/zinc/45/65/05/526456505.db2.gz FSIYTKDXGIMZMR-IRXDYDNUSA-N 1 0 243.394 3.954 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000510775721 526456704 /nfs/dbraw/zinc/45/67/04/526456704.db2.gz FSIYTKDXGIMZMR-SJORKVTESA-N 1 0 243.394 3.954 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000510780772 526437866 /nfs/dbraw/zinc/43/78/66/526437866.db2.gz NMFAEWQSBFCDRZ-HNNXBMFYSA-N 1 0 231.383 3.824 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000510780803 526440159 /nfs/dbraw/zinc/44/01/59/526440159.db2.gz NMFAEWQSBFCDRZ-OAHLLOKOSA-N 1 0 231.383 3.824 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1cc(C)ccc1C ZINC000510781365 526438962 /nfs/dbraw/zinc/43/89/62/526438962.db2.gz OWGFFXQFBRWIBP-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=CC[C@H]1[N@@H+](CCCCF)CCCC1(C)C ZINC000510782128 527226772 /nfs/dbraw/zinc/22/67/72/527226772.db2.gz UZRGLHKLHWDLPC-CYBMUJFWSA-N 1 0 227.367 3.803 20 30 BHEDRO C=CC[C@@H]1[N@@H+](CCCCF)CCCC1(C)C ZINC000510782148 527119980 /nfs/dbraw/zinc/11/99/80/527119980.db2.gz UZRGLHKLHWDLPC-ZDUSSCGKSA-N 1 0 227.367 3.803 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000510783639 526456920 /nfs/dbraw/zinc/45/69/20/526456920.db2.gz ZRQSYHMQYGOPTP-CVEARBPZSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000510783641 526457435 /nfs/dbraw/zinc/45/74/35/526457435.db2.gz ZRQSYHMQYGOPTP-HOTGVXAUSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000510783642 526455442 /nfs/dbraw/zinc/45/54/42/526455442.db2.gz ZRQSYHMQYGOPTP-HZPDHXFCSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000510783645 526456107 /nfs/dbraw/zinc/45/61/07/526456107.db2.gz ZRQSYHMQYGOPTP-JKSUJKDBSA-N 1 0 229.367 3.879 20 30 BHEDRO C=C(C)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000510789271 526576664 /nfs/dbraw/zinc/57/66/64/526576664.db2.gz BQNRSQSFXDFHGT-UHFFFAOYSA-N 1 0 229.367 3.616 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000510790514 526447690 /nfs/dbraw/zinc/44/76/90/526447690.db2.gz HSGYQDFCLXFLOO-JTQLQIEISA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000510790519 526447440 /nfs/dbraw/zinc/44/74/40/526447440.db2.gz HSGYQDFCLXFLOO-SNVBAGLBSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)CC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000510792821 526437765 /nfs/dbraw/zinc/43/77/65/526437765.db2.gz UOYSKLIZBMAOPR-UHFFFAOYSA-N 1 0 229.367 3.616 20 30 BHEDRO C=C(C)C[N@H+](CCCCF)Cc1ccccc1 ZINC000510793106 526551358 /nfs/dbraw/zinc/55/13/58/526551358.db2.gz BMZXZOKCMOYNGS-UHFFFAOYSA-N 1 0 235.346 3.814 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1ccc(F)cc1C ZINC000510793542 526437937 /nfs/dbraw/zinc/43/79/37/526437937.db2.gz BBFKCNIVQAUDAB-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=C(C)C[N@@H+](CC[C@H](C)F)Cc1ccccc1 ZINC000510795078 526553560 /nfs/dbraw/zinc/55/35/60/526553560.db2.gz IKEORONKTMLXHH-AWEZNQCLSA-N 1 0 235.346 3.813 20 30 BHEDRO C=C(C)C[N@@H+](CC[C@@H](C)F)Cc1ccccc1 ZINC000510795080 526552972 /nfs/dbraw/zinc/55/29/72/526552972.db2.gz IKEORONKTMLXHH-CQSZACIVSA-N 1 0 235.346 3.813 20 30 BHEDRO C=C(C)CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000510798148 526443468 /nfs/dbraw/zinc/44/34/68/526443468.db2.gz RBTWKFPALVIPNN-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000510807621 526439016 /nfs/dbraw/zinc/43/90/16/526439016.db2.gz CPENDWGGWHYPPD-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000510809653 526439452 /nfs/dbraw/zinc/43/94/52/526439452.db2.gz JABMCMLMKGWIMW-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1cc(C)ccc1F ZINC000510809680 526438085 /nfs/dbraw/zinc/43/80/85/526438085.db2.gz JHQIGMDGWGXIQK-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000510810704 526439339 /nfs/dbraw/zinc/43/93/39/526439339.db2.gz NRXQSHDPSZGPEL-ZDUSSCGKSA-N 1 0 209.377 3.853 20 30 BHEDRO C=C(C)CC[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000510810763 526440342 /nfs/dbraw/zinc/44/03/42/526440342.db2.gz KIYRUHJBZZMMQE-UHFFFAOYSA-N 1 0 242.366 3.956 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000510813638 526438184 /nfs/dbraw/zinc/43/81/84/526438184.db2.gz VPPDIDAYEWOYKT-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000510813805 526447051 /nfs/dbraw/zinc/44/70/51/526447051.db2.gz RNYMFGZWDSDUKN-LLVKDONJSA-N 1 0 249.320 3.863 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000510813806 526447354 /nfs/dbraw/zinc/44/73/54/526447354.db2.gz RNYMFGZWDSDUKN-NSHDSACASA-N 1 0 249.320 3.863 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1ccccc1SC ZINC000510814629 526439246 /nfs/dbraw/zinc/43/92/46/526439246.db2.gz XUTZXRSADLRTJT-UHFFFAOYSA-N 1 0 235.396 3.807 20 30 BHEDRO CCCC[C@@H](CC)C[NH+]1CCC(F)(C#N)CC1 ZINC000510918742 528775852 /nfs/dbraw/zinc/77/58/52/528775852.db2.gz GMFDKZKVHGASMW-CYBMUJFWSA-N 1 0 240.366 3.530 20 30 BHEDRO CCCC[C@H](CC)C[NH+]1CCC(F)(C#N)CC1 ZINC000510918749 528907606 /nfs/dbraw/zinc/90/76/06/528907606.db2.gz GMFDKZKVHGASMW-ZDUSSCGKSA-N 1 0 240.366 3.530 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000511036328 527466719 /nfs/dbraw/zinc/46/67/19/527466719.db2.gz FRUFZGHZBGINLM-KBPBESRZSA-N 1 0 241.419 3.772 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000511036329 527427322 /nfs/dbraw/zinc/42/73/22/527427322.db2.gz FRUFZGHZBGINLM-KGLIPLIRSA-N 1 0 241.419 3.772 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](CCOC)C(C)(C)C ZINC000511036331 527467265 /nfs/dbraw/zinc/46/72/65/527467265.db2.gz FRUFZGHZBGINLM-UONOGXRCSA-N 1 0 241.419 3.772 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](CCOC)C(C)(C)C ZINC000511036332 527427101 /nfs/dbraw/zinc/42/71/01/527427101.db2.gz FRUFZGHZBGINLM-ZIAGYGMSSA-N 1 0 241.419 3.772 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CCOC)C(C)(C)C ZINC000511055223 527140283 /nfs/dbraw/zinc/14/02/83/527140283.db2.gz WQUFPLXIBCIMBF-BFHYXJOUSA-N 1 0 241.419 3.628 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000511055224 527142105 /nfs/dbraw/zinc/14/21/05/527142105.db2.gz WQUFPLXIBCIMBF-IHRRRGAJSA-N 1 0 241.419 3.628 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CCOC)C(C)(C)C ZINC000511055225 527141261 /nfs/dbraw/zinc/14/12/61/527141261.db2.gz WQUFPLXIBCIMBF-MELADBBJSA-N 1 0 241.419 3.628 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000511055226 527140272 /nfs/dbraw/zinc/14/02/72/527140272.db2.gz WQUFPLXIBCIMBF-MJBXVCDLSA-N 1 0 241.419 3.628 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccccc1SC ZINC000511098783 527192085 /nfs/dbraw/zinc/19/20/85/527192085.db2.gz AZTXEPZXZGYSEA-UHFFFAOYSA-N 1 0 235.396 3.807 20 30 BHEDRO C=CC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000511109806 526980625 /nfs/dbraw/zinc/98/06/25/526980625.db2.gz LKIPRIQTLXXETD-UHFFFAOYSA-N 1 0 247.407 3.807 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1SC ZINC000511131473 526547816 /nfs/dbraw/zinc/54/78/16/526547816.db2.gz RBMAXQAPSPQUHR-UHFFFAOYSA-N 1 0 235.396 3.807 20 30 BHEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2CC)c1 ZINC000511476129 526898406 /nfs/dbraw/zinc/89/84/06/526898406.db2.gz WJRLCEBFPWLEDD-HNNXBMFYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H]2CC)c1 ZINC000511476137 526900369 /nfs/dbraw/zinc/90/03/69/526900369.db2.gz WJRLCEBFPWLEDD-OAHLLOKOSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1CC ZINC000511478123 526932510 /nfs/dbraw/zinc/93/25/10/526932510.db2.gz NXDABKCNKYJCJE-HNNXBMFYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1CC ZINC000511478472 526932012 /nfs/dbraw/zinc/93/20/12/526932012.db2.gz NXDABKCNKYJCJE-OAHLLOKOSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2CC)cc1 ZINC000511509923 526867804 /nfs/dbraw/zinc/86/78/04/526867804.db2.gz SSZRYZLZSMYCGY-HNNXBMFYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2CC)cc1 ZINC000511509924 526868067 /nfs/dbraw/zinc/86/80/67/526868067.db2.gz SSZRYZLZSMYCGY-OAHLLOKOSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000511762570 527232552 /nfs/dbraw/zinc/23/25/52/527232552.db2.gz NDQHFLRYJVPTAO-AATRIKPKSA-N 1 0 237.293 3.534 20 30 BHEDRO C=CCCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000511762571 527232434 /nfs/dbraw/zinc/23/24/34/527232434.db2.gz NDQHFLRYJVPTAO-WAYWQWQTSA-N 1 0 237.293 3.534 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511838740 527327706 /nfs/dbraw/zinc/32/77/06/527327706.db2.gz QIZQFOMUJQSKJR-BBWFWOEESA-N 1 0 241.378 3.831 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511838741 527328086 /nfs/dbraw/zinc/32/80/86/527328086.db2.gz QIZQFOMUJQSKJR-BRWVUGGUSA-N 1 0 241.378 3.831 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511838742 527328123 /nfs/dbraw/zinc/32/81/23/527328123.db2.gz QIZQFOMUJQSKJR-GVDBMIGSSA-N 1 0 241.378 3.831 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511838743 527327395 /nfs/dbraw/zinc/32/73/95/527327395.db2.gz QIZQFOMUJQSKJR-ZACQAIPSSA-N 1 0 241.378 3.831 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511844828 526608137 /nfs/dbraw/zinc/60/81/37/526608137.db2.gz NOCMKUHEPSHJPP-BBWFWOEESA-N 1 0 241.378 3.831 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511844830 526608672 /nfs/dbraw/zinc/60/86/72/526608672.db2.gz NOCMKUHEPSHJPP-BRWVUGGUSA-N 1 0 241.378 3.831 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511844831 526607230 /nfs/dbraw/zinc/60/72/30/526607230.db2.gz NOCMKUHEPSHJPP-GVDBMIGSSA-N 1 0 241.378 3.831 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511844833 526608468 /nfs/dbraw/zinc/60/84/68/526608468.db2.gz NOCMKUHEPSHJPP-ZACQAIPSSA-N 1 0 241.378 3.831 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc2occc2c1 ZINC000511929143 527168441 /nfs/dbraw/zinc/16/84/41/527168441.db2.gz XSCLTSUQAUTCSF-UHFFFAOYSA-N 1 0 229.323 3.879 20 30 BHEDRO C=CC[N@@H+](CC)C[C@H](CC)c1ccccc1 ZINC000511974900 527593147 /nfs/dbraw/zinc/59/31/47/527593147.db2.gz WWESNXPKKVLTNJ-AWEZNQCLSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CC[N@@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000511974901 527592650 /nfs/dbraw/zinc/59/26/50/527592650.db2.gz WWESNXPKKVLTNJ-CQSZACIVSA-N 1 0 217.356 3.688 20 30 BHEDRO CC(C)C1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000511990542 527636329 /nfs/dbraw/zinc/63/63/29/527636329.db2.gz OPFSLOQVUQHSJT-BHDPWAOGSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)C1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000511990543 527636346 /nfs/dbraw/zinc/63/63/46/527636346.db2.gz OPFSLOQVUQHSJT-GRAKBVBRSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)C1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000511990544 527635339 /nfs/dbraw/zinc/63/53/39/527635339.db2.gz OPFSLOQVUQHSJT-GYTBAZASSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)C1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000511990545 527635901 /nfs/dbraw/zinc/63/59/01/527635901.db2.gz OPFSLOQVUQHSJT-KNIAUWFNSA-N 1 0 248.414 3.731 20 30 BHEDRO C=CC[C@H](C)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512037390 527137987 /nfs/dbraw/zinc/13/79/87/527137987.db2.gz GSTZRQMKKCPXJX-QZPNVGJNSA-N 1 0 237.293 3.532 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512037391 527031238 /nfs/dbraw/zinc/03/12/38/527031238.db2.gz GSTZRQMKKCPXJX-VLWUPBBWSA-N 1 0 237.293 3.532 20 30 BHEDRO CC(C)C1CCC(C[NH2+]CCCCC#N)CC1 ZINC000512132799 527636296 /nfs/dbraw/zinc/63/62/96/527636296.db2.gz SRTHAHOHNTXDNA-UHFFFAOYSA-N 1 0 236.403 3.732 20 30 BHEDRO C=CC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000512188433 526519741 /nfs/dbraw/zinc/51/97/41/526519741.db2.gz YMANLKBRUVCVIG-DZGCQCFKSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000512188434 526519484 /nfs/dbraw/zinc/51/94/84/526519484.db2.gz YMANLKBRUVCVIG-HIFRSBDPSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000512188435 526519305 /nfs/dbraw/zinc/51/93/05/526519305.db2.gz YMANLKBRUVCVIG-UKRRQHHQSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000512188436 526519732 /nfs/dbraw/zinc/51/97/32/526519732.db2.gz YMANLKBRUVCVIG-ZFWWWQNUSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cc(C)cc(Cl)c1 ZINC000512213023 526502370 /nfs/dbraw/zinc/50/23/70/526502370.db2.gz NHIQFGODGQQBIH-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO CC#CCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512264317 526306822 /nfs/dbraw/zinc/30/68/22/526306822.db2.gz YMTAKXWNAVVRFD-AWEZNQCLSA-N 1 0 227.351 3.625 20 30 BHEDRO CC#CCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512264342 526306549 /nfs/dbraw/zinc/30/65/49/526306549.db2.gz YMTAKXWNAVVRFD-CQSZACIVSA-N 1 0 227.351 3.625 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000512341011 526624585 /nfs/dbraw/zinc/62/45/85/526624585.db2.gz BNYMGYYQZKPQOR-UHFFFAOYSA-N 1 0 245.297 3.751 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2occc2c1 ZINC000512342743 527162775 /nfs/dbraw/zinc/16/27/75/527162775.db2.gz LMRLOCPZKWSVBW-AWEZNQCLSA-N 1 0 229.323 3.877 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2occc2c1 ZINC000512342745 527053084 /nfs/dbraw/zinc/05/30/84/527053084.db2.gz LMRLOCPZKWSVBW-CQSZACIVSA-N 1 0 229.323 3.877 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccccc1OCCCC ZINC000512343489 526624050 /nfs/dbraw/zinc/62/40/50/526624050.db2.gz PFNQUKYVYUXSGO-UHFFFAOYSA-N 1 0 233.355 3.531 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000512359334 526624716 /nfs/dbraw/zinc/62/47/16/526624716.db2.gz FJGKZOBHVPDMFQ-UHFFFAOYSA-N 1 0 243.272 3.680 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000512370402 526624274 /nfs/dbraw/zinc/62/42/74/526624274.db2.gz QIRXHBRVZPAMNW-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO C=C(C)C[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000512375115 526624091 /nfs/dbraw/zinc/62/40/91/526624091.db2.gz MDNDUBCMNAJCAX-UHFFFAOYSA-N 1 0 229.323 3.715 20 30 BHEDRO C=C(C)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000512383928 526624788 /nfs/dbraw/zinc/62/47/88/526624788.db2.gz HVPLXCPVALDJQQ-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO C=C(C)C[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000512394631 526625167 /nfs/dbraw/zinc/62/51/67/526625167.db2.gz ICKRAOWTQRTKMJ-UHFFFAOYSA-N 1 0 241.334 3.921 20 30 BHEDRO CC(C)(C#N)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000512445275 527486921 /nfs/dbraw/zinc/48/69/21/527486921.db2.gz YQBLGWJTXIIUEE-UHFFFAOYSA-N 1 0 242.366 3.593 20 30 BHEDRO C=CCOc1cccc(C[N@H+]2CCCC2(C)C)c1 ZINC000512609718 526897975 /nfs/dbraw/zinc/89/79/75/526897975.db2.gz PLZIOFXQZDYBSH-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO CCC(CC)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512610994 528804660 /nfs/dbraw/zinc/80/46/60/528804660.db2.gz GVRBEMOVDYBXBH-JTQLQIEISA-N 1 0 234.318 3.537 20 30 BHEDRO CCC(CC)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512610995 528805097 /nfs/dbraw/zinc/80/50/97/528805097.db2.gz GVRBEMOVDYBXBH-SNVBAGLBSA-N 1 0 234.318 3.537 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512624567 529207303 /nfs/dbraw/zinc/20/73/03/529207303.db2.gz JGNCHFFNYDFGBY-QJPTWQEYSA-N 1 0 248.345 3.783 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512624568 529242405 /nfs/dbraw/zinc/24/24/05/529242405.db2.gz JGNCHFFNYDFGBY-SDDRHHMPSA-N 1 0 248.345 3.783 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512624569 529242308 /nfs/dbraw/zinc/24/23/08/529242308.db2.gz JGNCHFFNYDFGBY-SRVKXCTJSA-N 1 0 248.345 3.783 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512624570 529207258 /nfs/dbraw/zinc/20/72/58/529207258.db2.gz JGNCHFFNYDFGBY-TUAOUCFPSA-N 1 0 248.345 3.783 20 30 BHEDRO CCCCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512627062 528217052 /nfs/dbraw/zinc/21/70/52/528217052.db2.gz ZLRMYMOGBDFLBJ-LLVKDONJSA-N 1 0 234.318 3.538 20 30 BHEDRO CCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512627063 528214726 /nfs/dbraw/zinc/21/47/26/528214726.db2.gz ZLRMYMOGBDFLBJ-NSHDSACASA-N 1 0 234.318 3.538 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512630220 528267299 /nfs/dbraw/zinc/26/72/99/528267299.db2.gz LRJZDYRRAUTLSQ-NEPJUHHUSA-N 1 0 248.345 3.783 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512630221 528475038 /nfs/dbraw/zinc/47/50/38/528475038.db2.gz LRJZDYRRAUTLSQ-NWDGAFQWSA-N 1 0 248.345 3.783 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512630222 528475649 /nfs/dbraw/zinc/47/56/49/528475649.db2.gz LRJZDYRRAUTLSQ-RYUDHWBXSA-N 1 0 248.345 3.783 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512630223 528268742 /nfs/dbraw/zinc/26/87/42/528268742.db2.gz LRJZDYRRAUTLSQ-VXGBXAGGSA-N 1 0 248.345 3.783 20 30 BHEDRO C[C@@H]([NH2+]CC1CCCC1)c1ccc(C#N)cc1F ZINC000512630249 533368569 /nfs/dbraw/zinc/36/85/69/533368569.db2.gz LYQQYVJTEOSTNZ-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H]([NH2+]CC1CCCC1)c1ccc(C#N)cc1F ZINC000512630251 533838768 /nfs/dbraw/zinc/83/87/68/533838768.db2.gz LYQQYVJTEOSTNZ-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO C=CCOc1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC000512630720 526865026 /nfs/dbraw/zinc/86/50/26/526865026.db2.gz ZINMOQRUZSWAQF-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(C#N)cc1F ZINC000512631554 229355876 /nfs/dbraw/zinc/35/58/76/229355876.db2.gz ROXZPBQBHZVQCO-LLVKDONJSA-N 1 0 246.329 3.681 20 30 BHEDRO C[C@H]([NH2+]C1CCCCC1)c1ccc(C#N)cc1F ZINC000512631555 533807418 /nfs/dbraw/zinc/80/74/18/533807418.db2.gz ROXZPBQBHZVQCO-NSHDSACASA-N 1 0 246.329 3.681 20 30 BHEDRO CCC(CC)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512652957 528763634 /nfs/dbraw/zinc/76/36/34/528763634.db2.gz CCMVDYPXHVURMO-LLVKDONJSA-N 1 0 248.345 3.784 20 30 BHEDRO CCC(CC)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512652958 528761771 /nfs/dbraw/zinc/76/17/71/528761771.db2.gz CCMVDYPXHVURMO-NSHDSACASA-N 1 0 248.345 3.784 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512653729 528107011 /nfs/dbraw/zinc/10/70/11/528107011.db2.gz GPICBRTVYWOIIH-AAEUAGOBSA-N 1 0 248.345 3.927 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512653730 528924364 /nfs/dbraw/zinc/92/43/64/528924364.db2.gz GPICBRTVYWOIIH-DGCLKSJQSA-N 1 0 248.345 3.927 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512653731 528924272 /nfs/dbraw/zinc/92/42/72/528924272.db2.gz GPICBRTVYWOIIH-WCQYABFASA-N 1 0 248.345 3.927 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512653732 528105742 /nfs/dbraw/zinc/10/57/42/528105742.db2.gz GPICBRTVYWOIIH-YPMHNXCESA-N 1 0 248.345 3.927 20 30 BHEDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512661598 528950537 /nfs/dbraw/zinc/95/05/37/528950537.db2.gz SUSPRLUABWNNTM-NEPJUHHUSA-N 1 0 248.345 3.640 20 30 BHEDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512661599 528398220 /nfs/dbraw/zinc/39/82/20/528398220.db2.gz SUSPRLUABWNNTM-NWDGAFQWSA-N 1 0 248.345 3.640 20 30 BHEDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512661600 528398159 /nfs/dbraw/zinc/39/81/59/528398159.db2.gz SUSPRLUABWNNTM-RYUDHWBXSA-N 1 0 248.345 3.640 20 30 BHEDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512661601 528950954 /nfs/dbraw/zinc/95/09/54/528950954.db2.gz SUSPRLUABWNNTM-VXGBXAGGSA-N 1 0 248.345 3.640 20 30 BHEDRO C=CC[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000512705605 527575012 /nfs/dbraw/zinc/57/50/12/527575012.db2.gz MSOIIKSREJNSAI-UHFFFAOYSA-N 1 0 215.340 3.572 20 30 BHEDRO CCC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000513093700 529023459 /nfs/dbraw/zinc/02/34/59/529023459.db2.gz CWEFLYLYWSJRBT-UHFFFAOYSA-N 1 0 248.395 3.632 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cc(C)cc(Cl)c1 ZINC000513101431 527321179 /nfs/dbraw/zinc/32/11/79/527321179.db2.gz QVELFTLJROROEZ-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513228378 487677483 /nfs/dbraw/zinc/67/74/83/487677483.db2.gz JWFIFNJCKSRURN-DZGCQCFKSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513228379 487677575 /nfs/dbraw/zinc/67/75/75/487677575.db2.gz JWFIFNJCKSRURN-HIFRSBDPSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513228380 487677569 /nfs/dbraw/zinc/67/75/69/487677569.db2.gz JWFIFNJCKSRURN-UKRRQHHQSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(C)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513228381 487677565 /nfs/dbraw/zinc/67/75/65/487677565.db2.gz JWFIFNJCKSRURN-ZFWWWQNUSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513241940 487683282 /nfs/dbraw/zinc/68/32/82/487683282.db2.gz NMIBMPONMJUXGB-DZGCQCFKSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513241941 487682857 /nfs/dbraw/zinc/68/28/57/487682857.db2.gz NMIBMPONMJUXGB-HIFRSBDPSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513241942 487682958 /nfs/dbraw/zinc/68/29/58/487682958.db2.gz NMIBMPONMJUXGB-UKRRQHHQSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513241943 487683150 /nfs/dbraw/zinc/68/31/50/487683150.db2.gz NMIBMPONMJUXGB-ZFWWWQNUSA-N 1 0 215.340 3.646 20 30 BHEDRO C=CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000513386695 388426204 /nfs/dbraw/zinc/42/62/04/388426204.db2.gz OUFMUTOXBFSYOJ-ZDUSSCGKSA-N 1 0 235.758 3.533 20 30 BHEDRO C=C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000513443797 388428541 /nfs/dbraw/zinc/42/85/41/388428541.db2.gz PYLOMYQDEYXXAO-UHFFFAOYSA-N 1 0 237.346 3.992 20 30 BHEDRO C=C1CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000513444323 388428944 /nfs/dbraw/zinc/42/89/44/388428944.db2.gz TXEIFFFLNKGAKY-NTCAYCPXSA-N 1 0 227.351 3.742 20 30 BHEDRO C=C1CC[NH+](C/C(C)=C\c2ccccc2)CC1 ZINC000513444325 388428546 /nfs/dbraw/zinc/42/85/46/388428546.db2.gz TXEIFFFLNKGAKY-QINSGFPZSA-N 1 0 227.351 3.742 20 30 BHEDRO C=C1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC000513449969 388428999 /nfs/dbraw/zinc/42/89/99/388428999.db2.gz DLRUGYJECULSGF-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC000513451215 388429058 /nfs/dbraw/zinc/42/90/58/388429058.db2.gz PCTPGMAIAAFYMF-UHFFFAOYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000513455904 526905100 /nfs/dbraw/zinc/90/51/00/526905100.db2.gz OAYAVDPGAORBJM-UHFFFAOYSA-N 1 0 237.346 3.992 20 30 BHEDRO C=C1CC[NH+](CC2CCCCCC2)CC1 ZINC000513467983 526902424 /nfs/dbraw/zinc/90/24/24/526902424.db2.gz ZWCZFIBQSYDAGQ-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=C1CC[NH+](Cc2cccn2CCC(C)C)CC1 ZINC000513472532 388429604 /nfs/dbraw/zinc/42/96/04/388429604.db2.gz GZEJINFVWQFCMI-UHFFFAOYSA-N 1 0 246.398 3.686 20 30 BHEDRO C=C1CC[NH+](C[C@H](CC)c2ccccc2)CC1 ZINC000513484388 526903232 /nfs/dbraw/zinc/90/32/32/526903232.db2.gz JWVBDNSRELECIG-HNNXBMFYSA-N 1 0 229.367 3.832 20 30 BHEDRO C=C1CC[NH+](C[C@@H](CC)c2ccccc2)CC1 ZINC000513484389 388429435 /nfs/dbraw/zinc/42/94/35/388429435.db2.gz JWVBDNSRELECIG-OAHLLOKOSA-N 1 0 229.367 3.832 20 30 BHEDRO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000513647733 388641380 /nfs/dbraw/zinc/64/13/80/388641380.db2.gz LXALWLJSOLQYMU-APHBMKBZSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000513647734 388641303 /nfs/dbraw/zinc/64/13/03/388641303.db2.gz LXALWLJSOLQYMU-MAZHCROVSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000513647735 388641327 /nfs/dbraw/zinc/64/13/27/388641327.db2.gz LXALWLJSOLQYMU-RCBQFDQVSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000513647737 388641379 /nfs/dbraw/zinc/64/13/79/388641379.db2.gz LXALWLJSOLQYMU-VBNZEHGJSA-N 1 0 242.366 3.643 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccco1 ZINC000513713087 388442708 /nfs/dbraw/zinc/44/27/08/388442708.db2.gz KBVCSFQMSRKDEE-CHWSQXEVSA-N 1 0 233.355 3.923 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccco1 ZINC000513713088 527485828 /nfs/dbraw/zinc/48/58/28/527485828.db2.gz KBVCSFQMSRKDEE-OLZOCXBDSA-N 1 0 233.355 3.923 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccco1 ZINC000513713089 388442936 /nfs/dbraw/zinc/44/29/36/388442936.db2.gz KBVCSFQMSRKDEE-QWHCGFSZSA-N 1 0 233.355 3.923 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccco1 ZINC000513713090 388442949 /nfs/dbraw/zinc/44/29/49/388442949.db2.gz KBVCSFQMSRKDEE-STQMWFEESA-N 1 0 233.355 3.923 20 30 BHEDRO CC(C)(C)C[N@H+](CCC#N)CC1CCCCC1 ZINC000513716505 388442406 /nfs/dbraw/zinc/44/24/06/388442406.db2.gz CMMZUPYMXZOHJI-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)CCC(C)C ZINC000513751113 388446975 /nfs/dbraw/zinc/44/69/75/388446975.db2.gz WZPHIJVSWKBELK-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000513753379 388641875 /nfs/dbraw/zinc/64/18/75/388641875.db2.gz CHTCJYOJAWLZRM-HNNXBMFYSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000513753381 388641737 /nfs/dbraw/zinc/64/17/37/388641737.db2.gz CHTCJYOJAWLZRM-OAHLLOKOSA-N 1 0 242.366 3.569 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCCC(F)(F)C1 ZINC000513968040 388478952 /nfs/dbraw/zinc/47/89/52/388478952.db2.gz VHESKXBETBMUSR-GFCCVEGCSA-N 1 0 231.330 3.710 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@H]1CCCC(F)(F)C1 ZINC000513968041 388478487 /nfs/dbraw/zinc/47/84/87/388478487.db2.gz VHESKXBETBMUSR-LBPRGKRZSA-N 1 0 231.330 3.710 20 30 BHEDRO C=CC[N@@H+](CCSC(C)C)Cc1ccccc1 ZINC000513969906 388479703 /nfs/dbraw/zinc/47/97/03/388479703.db2.gz GEVYQRYWYMQIJX-UHFFFAOYSA-N 1 0 249.423 3.816 20 30 BHEDRO C=CC[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000514005083 388485240 /nfs/dbraw/zinc/48/52/40/388485240.db2.gz ATGBBIFCFFWRGP-UHFFFAOYSA-N 1 0 225.335 3.848 20 30 BHEDRO CCCCC[N@H+](CCCC#N)[C@H](C)CCC ZINC000514009472 388484973 /nfs/dbraw/zinc/48/49/73/388484973.db2.gz GKQMDNMJHZOBRM-CQSZACIVSA-N 1 0 224.392 3.971 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000514084575 388641568 /nfs/dbraw/zinc/64/15/68/388641568.db2.gz QUSHPDCWUMUORZ-HNNXBMFYSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000514084582 256611294 /nfs/dbraw/zinc/61/12/94/256611294.db2.gz QUSHPDCWUMUORZ-OAHLLOKOSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000514086624 388641699 /nfs/dbraw/zinc/64/16/99/388641699.db2.gz BUHQWLHJNDQSIL-HNNXBMFYSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000514086625 388641731 /nfs/dbraw/zinc/64/17/31/388641731.db2.gz BUHQWLHJNDQSIL-OAHLLOKOSA-N 1 0 242.366 3.569 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000514100078 388641886 /nfs/dbraw/zinc/64/18/86/388641886.db2.gz TUNLGYNJYOXKHO-CYBMUJFWSA-N 1 0 248.395 3.630 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000514100079 388641661 /nfs/dbraw/zinc/64/16/61/388641661.db2.gz TUNLGYNJYOXKHO-ZDUSSCGKSA-N 1 0 248.395 3.630 20 30 BHEDRO C=CC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000514100596 386885379 /nfs/dbraw/zinc/88/53/79/386885379.db2.gz WVAZVPVQXCKXBE-UHFFFAOYSA-N 1 0 209.377 3.709 20 30 BHEDRO C=CC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000514103267 356603936 /nfs/dbraw/zinc/60/39/36/356603936.db2.gz AYBZYHQMTKLHKJ-UHFFFAOYSA-N 1 0 237.346 3.990 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000514177605 324109207 /nfs/dbraw/zinc/10/92/07/324109207.db2.gz FQVVCCMVRGVZLM-INIZCTEOSA-N 1 0 229.367 3.578 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000514177606 324109245 /nfs/dbraw/zinc/10/92/45/324109245.db2.gz FQVVCCMVRGVZLM-MRXNPFEDSA-N 1 0 229.367 3.578 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccc(C#N)cc1 ZINC000514689199 388643512 /nfs/dbraw/zinc/64/35/12/388643512.db2.gz VCPVMZWMSWRTIA-UHFFFAOYSA-N 1 0 230.355 3.569 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000514710974 583416971 /nfs/dbraw/zinc/41/69/71/583416971.db2.gz ZGKFEEVIITVLLL-HNNXBMFYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000514710975 583416882 /nfs/dbraw/zinc/41/68/82/583416882.db2.gz ZGKFEEVIITVLLL-OAHLLOKOSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCCCCC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000514952360 387315103 /nfs/dbraw/zinc/31/51/03/387315103.db2.gz QRYAALCSOCHQKT-UHFFFAOYSA-N 1 0 249.402 3.543 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1)CC1(C)CC1 ZINC000514996639 387321112 /nfs/dbraw/zinc/32/11/12/387321112.db2.gz LCDZQRLGELXPHX-UHFFFAOYSA-N 1 0 229.367 3.517 20 30 BHEDRO C=CC[NH+](CC=C)[C@H]1CCCC[C@@H]1CC ZINC000515209657 387349262 /nfs/dbraw/zinc/34/92/62/387349262.db2.gz MFUIOYDVUNKLEV-KBPBESRZSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CC[NH+](CC=C)[C@H]1CCCC[C@H]1CC ZINC000515209658 387349467 /nfs/dbraw/zinc/34/94/67/387349467.db2.gz MFUIOYDVUNKLEV-KGLIPLIRSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CC[NH+](CC=C)[C@@H]1CCCC[C@@H]1CC ZINC000515209659 387350611 /nfs/dbraw/zinc/35/06/11/387350611.db2.gz MFUIOYDVUNKLEV-UONOGXRCSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CC[NH+](CC=C)[C@@H]1CCCC[C@H]1CC ZINC000515209660 387350880 /nfs/dbraw/zinc/35/08/80/387350880.db2.gz MFUIOYDVUNKLEV-ZIAGYGMSSA-N 1 0 207.361 3.629 20 30 BHEDRO CCC[N@H+](CCC(C)C)Cc1ccc(C#N)cc1 ZINC000515246117 388648421 /nfs/dbraw/zinc/64/84/21/388648421.db2.gz AJMVXQFSKQZNPA-UHFFFAOYSA-N 1 0 244.382 3.816 20 30 BHEDRO C=C(C)C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000515502556 256749045 /nfs/dbraw/zinc/74/90/45/256749045.db2.gz ANSXQDMQGVBQRZ-UHFFFAOYSA-N 1 0 207.361 3.606 20 30 BHEDRO C=CC[N@H+](C1CC1)C1CCC(CC)CC1 ZINC000515502637 387391879 /nfs/dbraw/zinc/39/18/79/387391879.db2.gz DLZJBAPXLVJKLA-UHFFFAOYSA-N 1 0 207.361 3.606 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cccc(OC(C)C)c1 ZINC000515540402 387393680 /nfs/dbraw/zinc/39/36/80/387393680.db2.gz RLURZWOJFIAYDC-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO Cc1ccccc1C[C@H](C)[N@H+](C)CCCCC#N ZINC000515631656 387404906 /nfs/dbraw/zinc/40/49/06/387404906.db2.gz IGLBKOGBDPTODB-HNNXBMFYSA-N 1 0 244.382 3.552 20 30 BHEDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCCCC#N ZINC000515631657 256751065 /nfs/dbraw/zinc/75/10/65/256751065.db2.gz IGLBKOGBDPTODB-OAHLLOKOSA-N 1 0 244.382 3.552 20 30 BHEDRO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)[C@H]2CCCC[C@@H]12 ZINC000515771665 387422696 /nfs/dbraw/zinc/42/26/96/387422696.db2.gz HVXSZJKSNNZSIK-ILXRZTDVSA-N 1 0 246.398 3.581 20 30 BHEDRO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)[C@H]2CCCC[C@H]12 ZINC000515771666 387422896 /nfs/dbraw/zinc/42/28/96/387422896.db2.gz HVXSZJKSNNZSIK-KFWWJZLASA-N 1 0 246.398 3.581 20 30 BHEDRO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)[C@@H]2CCCC[C@@H]12 ZINC000515771667 387423455 /nfs/dbraw/zinc/42/34/55/387423455.db2.gz HVXSZJKSNNZSIK-QLFBSQMISA-N 1 0 246.398 3.581 20 30 BHEDRO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)[C@@H]2CCCC[C@H]12 ZINC000515771671 256754879 /nfs/dbraw/zinc/75/48/79/256754879.db2.gz HVXSZJKSNNZSIK-RBSFLKMASA-N 1 0 246.398 3.581 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000515951607 387445858 /nfs/dbraw/zinc/44/58/58/387445858.db2.gz XLGQNZRNKHOFFY-AWEZNQCLSA-N 1 0 242.366 3.955 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000515951608 387445606 /nfs/dbraw/zinc/44/56/06/387445606.db2.gz XLGQNZRNKHOFFY-CQSZACIVSA-N 1 0 242.366 3.955 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000516146206 387463925 /nfs/dbraw/zinc/46/39/25/387463925.db2.gz AYYGMXWCSJBTSX-UHFFFAOYSA-N 1 0 242.366 3.559 20 30 BHEDRO C=C(C)C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000516307527 387499411 /nfs/dbraw/zinc/49/94/11/387499411.db2.gz QINMTCOUHIXUJU-UHFFFAOYSA-N 1 0 221.319 3.612 20 30 BHEDRO N#C[C@H]1CC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000516348004 387499687 /nfs/dbraw/zinc/49/96/87/387499687.db2.gz NETMKJAKZPZYLL-GJZGRUSLSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC000516348005 387499877 /nfs/dbraw/zinc/49/98/77/387499877.db2.gz NETMKJAKZPZYLL-HUUCEWRRSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC000516348006 256773025 /nfs/dbraw/zinc/77/30/25/256773025.db2.gz NETMKJAKZPZYLL-LSDHHAIUSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1noc2ccccc21 ZINC000516490641 387510732 /nfs/dbraw/zinc/51/07/32/387510732.db2.gz LMJWKJRCPICGHJ-NEPJUHHUSA-N 1 0 244.338 3.518 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1noc2ccccc21 ZINC000516490642 256776670 /nfs/dbraw/zinc/77/66/70/256776670.db2.gz LMJWKJRCPICGHJ-NWDGAFQWSA-N 1 0 244.338 3.518 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1noc2ccccc21 ZINC000516490643 387510435 /nfs/dbraw/zinc/51/04/35/387510435.db2.gz LMJWKJRCPICGHJ-RYUDHWBXSA-N 1 0 244.338 3.518 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1noc2ccccc21 ZINC000516490644 256776658 /nfs/dbraw/zinc/77/66/58/256776658.db2.gz LMJWKJRCPICGHJ-VXGBXAGGSA-N 1 0 244.338 3.518 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000516679248 398303282 /nfs/dbraw/zinc/30/32/82/398303282.db2.gz MIBIDAVPKOMXGN-UHFFFAOYSA-N 1 0 248.345 3.708 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)CCc1ccccc1 ZINC000516806288 388517956 /nfs/dbraw/zinc/51/79/56/388517956.db2.gz BKBZBXFHKUOQRV-HNNXBMFYSA-N 1 0 231.383 3.906 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)CCc1ccccc1 ZINC000516806289 388518501 /nfs/dbraw/zinc/51/85/01/388518501.db2.gz BKBZBXFHKUOQRV-OAHLLOKOSA-N 1 0 231.383 3.906 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1cscn1 ZINC000516937631 384969300 /nfs/dbraw/zinc/96/93/00/384969300.db2.gz AAOGKODDDIXYRJ-NEPJUHHUSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1cscn1 ZINC000516937632 384971588 /nfs/dbraw/zinc/97/15/88/384971588.db2.gz AAOGKODDDIXYRJ-NWDGAFQWSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1cscn1 ZINC000516937633 384971377 /nfs/dbraw/zinc/97/13/77/384971377.db2.gz AAOGKODDDIXYRJ-RYUDHWBXSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1cscn1 ZINC000516937634 384970781 /nfs/dbraw/zinc/97/07/81/384970781.db2.gz AAOGKODDDIXYRJ-VXGBXAGGSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccncc1CC ZINC000517071920 388536743 /nfs/dbraw/zinc/53/67/43/388536743.db2.gz IJLAPNSQIHOHEX-CYBMUJFWSA-N 1 0 232.371 3.651 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccncc1CC ZINC000517071921 388537223 /nfs/dbraw/zinc/53/72/23/388537223.db2.gz IJLAPNSQIHOHEX-ZDUSSCGKSA-N 1 0 232.371 3.651 20 30 BHEDRO CCC(CC)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000517125655 388660728 /nfs/dbraw/zinc/66/07/28/388660728.db2.gz SXFBXPMOLYXXNP-UHFFFAOYSA-N 1 0 242.366 3.711 20 30 BHEDRO C=CCOc1cccc(C[NH2+]CCC(C)(C)C)c1 ZINC000517541203 388551928 /nfs/dbraw/zinc/55/19/28/388551928.db2.gz WEMKKMMVKMAARM-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000517765815 259336647 /nfs/dbraw/zinc/33/66/47/259336647.db2.gz JHWWNLQFTJTCRX-CHWSQXEVSA-N 1 0 241.444 3.708 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000517765820 259336863 /nfs/dbraw/zinc/33/68/63/259336863.db2.gz JHWWNLQFTJTCRX-OLZOCXBDSA-N 1 0 241.444 3.708 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000517765821 259336831 /nfs/dbraw/zinc/33/68/31/259336831.db2.gz JHWWNLQFTJTCRX-QWHCGFSZSA-N 1 0 241.444 3.708 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000517765823 259336775 /nfs/dbraw/zinc/33/67/75/259336775.db2.gz JHWWNLQFTJTCRX-STQMWFEESA-N 1 0 241.444 3.708 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000517834427 384524056 /nfs/dbraw/zinc/52/40/56/384524056.db2.gz IMDQERKOQSOZOE-AWEZNQCLSA-N 1 0 249.785 3.923 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000517834428 384522454 /nfs/dbraw/zinc/52/24/54/384522454.db2.gz IMDQERKOQSOZOE-CQSZACIVSA-N 1 0 249.785 3.923 20 30 BHEDRO C=C(C)C[N@@H+](CCC)[C@H]1CCc2ccccc2C1 ZINC000517840876 384523897 /nfs/dbraw/zinc/52/38/97/384523897.db2.gz YZUMESNZDOVDDK-KRWDZBQOSA-N 1 0 243.394 3.832 20 30 BHEDRO C=C(C)C[N@@H+](CCC)[C@@H]1CCc2ccccc2C1 ZINC000517840877 384523782 /nfs/dbraw/zinc/52/37/82/384523782.db2.gz YZUMESNZDOVDDK-QGZVFWFLSA-N 1 0 243.394 3.832 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000517905019 256554048 /nfs/dbraw/zinc/55/40/48/256554048.db2.gz CEQRENPWZWQGBQ-UHFFFAOYSA-N 1 0 227.351 3.742 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1F)CC1(C)CC1 ZINC000518045384 384631413 /nfs/dbraw/zinc/63/14/13/384631413.db2.gz OJNHEPLIXABLAR-UHFFFAOYSA-N 1 0 233.330 3.614 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000518201343 388662793 /nfs/dbraw/zinc/66/27/93/388662793.db2.gz ZWXFPAUWARYUIZ-GHMZBOCLSA-N 1 0 248.345 3.783 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(C)(C)C ZINC000518201349 388662706 /nfs/dbraw/zinc/66/27/06/388662706.db2.gz ZWXFPAUWARYUIZ-WDEREUQCSA-N 1 0 248.345 3.783 20 30 BHEDRO CCCCC[NH+](CCCCC)CC1(C#N)CC1 ZINC000518203779 256562609 /nfs/dbraw/zinc/56/26/09/256562609.db2.gz ZQADQIXNDCPXSD-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000518251521 384859128 /nfs/dbraw/zinc/85/91/28/384859128.db2.gz OAZUUZGGAVAYOS-AWEZNQCLSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000518251522 384858054 /nfs/dbraw/zinc/85/80/54/384858054.db2.gz OAZUUZGGAVAYOS-CQSZACIVSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C2(C)CCCC2)c1 ZINC000518273779 384889104 /nfs/dbraw/zinc/88/91/04/384889104.db2.gz GKPUHVCNJSAKHI-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000518559939 384008642 /nfs/dbraw/zinc/00/86/42/384008642.db2.gz LZAPADDKBYNRSV-GDBMZVCRSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000518559940 384009847 /nfs/dbraw/zinc/00/98/47/384009847.db2.gz LZAPADDKBYNRSV-GOEBONIOSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000518559941 256579639 /nfs/dbraw/zinc/57/96/39/256579639.db2.gz LZAPADDKBYNRSV-HOCLYGCPSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000518559942 384010043 /nfs/dbraw/zinc/01/00/43/384010043.db2.gz LZAPADDKBYNRSV-ZBFHGGJFSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CC[N@@H+](CCC(C)C)Cc1ccccc1F ZINC000519068692 386998328 /nfs/dbraw/zinc/99/83/28/386998328.db2.gz LUGJBRFDKNFYLL-UHFFFAOYSA-N 1 0 235.346 3.860 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000519155217 256643777 /nfs/dbraw/zinc/64/37/77/256643777.db2.gz AWVYRUSCMUTTET-YJNKXOJESA-N 1 0 234.387 3.627 20 30 BHEDRO C=CCCCCC[NH2+]Cc1sccc1OC ZINC000519180271 387029499 /nfs/dbraw/zinc/02/94/99/387029499.db2.gz NXILDVYSLUASQO-UHFFFAOYSA-N 1 0 239.384 3.593 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]CCCCC#N)CC1 ZINC000519183233 387030325 /nfs/dbraw/zinc/03/03/25/387030325.db2.gz MLOKMNYCTURITP-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]CCCCC#N)CC1 ZINC000519183234 256645227 /nfs/dbraw/zinc/64/52/27/256645227.db2.gz MLOKMNYCTURITP-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000519220005 387033861 /nfs/dbraw/zinc/03/38/61/387033861.db2.gz WITZRGTVPOLVEY-HNNXBMFYSA-N 1 0 215.340 3.790 20 30 BHEDRO C=CC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000519220006 387033873 /nfs/dbraw/zinc/03/38/73/387033873.db2.gz WITZRGTVPOLVEY-OAHLLOKOSA-N 1 0 215.340 3.790 20 30 BHEDRO C=CCCCCC[NH2+]CCCc1cnccc1C ZINC000519606803 386502610 /nfs/dbraw/zinc/50/26/10/386502610.db2.gz FRPBAWURPHBTON-UHFFFAOYSA-N 1 0 246.398 3.659 20 30 BHEDRO C=CCCCC[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000519712386 386541900 /nfs/dbraw/zinc/54/19/00/386541900.db2.gz TXMQVYSBWLPTGS-HNNXBMFYSA-N 1 0 244.382 3.536 20 30 BHEDRO C=CCCCC[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000519712421 386542330 /nfs/dbraw/zinc/54/23/30/386542330.db2.gz TXMQVYSBWLPTGS-OAHLLOKOSA-N 1 0 244.382 3.536 20 30 BHEDRO N#CC1CC[NH+](CCC2CCCCCC2)CC1 ZINC000519795578 386557615 /nfs/dbraw/zinc/55/76/15/386557615.db2.gz XRUMMFKGBUOGRF-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000519903760 386580072 /nfs/dbraw/zinc/58/00/72/386580072.db2.gz YCIPGOPSXIJROR-JTQLQIEISA-N 1 0 243.272 3.884 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000519903761 256663913 /nfs/dbraw/zinc/66/39/13/256663913.db2.gz YCIPGOPSXIJROR-SNVBAGLBSA-N 1 0 243.272 3.884 20 30 BHEDRO C=CC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000519968693 259303500 /nfs/dbraw/zinc/30/35/00/259303500.db2.gz WUWKPWMAOFMQDG-GOSISDBHSA-N 1 0 249.357 3.820 20 30 BHEDRO C=CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000519968694 259303569 /nfs/dbraw/zinc/30/35/69/259303569.db2.gz WUWKPWMAOFMQDG-SFHVURJKSA-N 1 0 249.357 3.820 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1OC(C)C ZINC000519997897 385187493 /nfs/dbraw/zinc/18/74/93/385187493.db2.gz MOSBSLIPJLVZGX-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CC[N@@H+](CCC(C)C)Cc1cccc(C#N)c1 ZINC000520137737 323181302 /nfs/dbraw/zinc/18/13/02/323181302.db2.gz KNYWEWZQFJDMRN-UHFFFAOYSA-N 1 0 242.366 3.592 20 30 BHEDRO C=C(C)C[N@@H+](CCC)[C@H]1CCc2ccccc21 ZINC000520172224 386588727 /nfs/dbraw/zinc/58/87/27/386588727.db2.gz YKKAQTNMEFNTQL-INIZCTEOSA-N 1 0 229.367 3.962 20 30 BHEDRO C=C(C)C[N@@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000520172225 386588088 /nfs/dbraw/zinc/58/80/88/386588088.db2.gz YKKAQTNMEFNTQL-MRXNPFEDSA-N 1 0 229.367 3.962 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1F)C(C)C ZINC000520173693 386588307 /nfs/dbraw/zinc/58/83/07/386588307.db2.gz WGJGZDVJUYCANR-UHFFFAOYSA-N 1 0 221.319 3.612 20 30 BHEDRO C=CC[N@H+](Cc1cccc(C)c1)CC(C)C ZINC000520173755 386586798 /nfs/dbraw/zinc/58/67/98/386586798.db2.gz ZLNITHRXLCHCQX-UHFFFAOYSA-N 1 0 217.356 3.639 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173837 386589399 /nfs/dbraw/zinc/58/93/99/386589399.db2.gz DLYCNNZCRHXURP-UHFFFAOYSA-N 1 0 242.366 3.592 20 30 BHEDRO C=C(C)C[N@@H+](CCC)Cc1ccc(F)cc1 ZINC000520174151 386590576 /nfs/dbraw/zinc/59/05/76/386590576.db2.gz WLBSGMOABIEYMC-UHFFFAOYSA-N 1 0 221.319 3.614 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccccc1C#N ZINC000520281431 386644074 /nfs/dbraw/zinc/64/40/74/386644074.db2.gz XGYUDWFTJFEVRM-UHFFFAOYSA-N 1 0 230.355 3.569 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000520290182 256670708 /nfs/dbraw/zinc/67/07/08/256670708.db2.gz WPGYQITZVFERBL-PQEBFOHHSA-N 1 0 241.378 3.659 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000520290183 386642208 /nfs/dbraw/zinc/64/22/08/386642208.db2.gz WPGYQITZVFERBL-QMCVQRASSA-N 1 0 241.378 3.659 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000520382747 386665118 /nfs/dbraw/zinc/66/51/18/386665118.db2.gz ZBCIWTBDBWNPDJ-OAHLLOKOSA-N 1 0 215.340 3.626 20 30 BHEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC000520423902 370343120 /nfs/dbraw/zinc/34/31/20/370343120.db2.gz PLLGGWKDIWGWOK-BXUZGUMPSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC000520423903 370343133 /nfs/dbraw/zinc/34/31/33/370343133.db2.gz PLLGGWKDIWGWOK-FZMZJTMJSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC000520423904 370343003 /nfs/dbraw/zinc/34/30/03/370343003.db2.gz PLLGGWKDIWGWOK-RISCZKNCSA-N 1 0 248.395 3.630 20 30 BHEDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC000520423905 370343311 /nfs/dbraw/zinc/34/33/11/370343311.db2.gz PLLGGWKDIWGWOK-SMDDNHRTSA-N 1 0 248.395 3.630 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000520433352 386674298 /nfs/dbraw/zinc/67/42/98/386674298.db2.gz SCNDHBAEQXFCSV-GDBMZVCRSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000520433353 386674780 /nfs/dbraw/zinc/67/47/80/386674780.db2.gz SCNDHBAEQXFCSV-GOEBONIOSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000520433354 386675464 /nfs/dbraw/zinc/67/54/64/386675464.db2.gz SCNDHBAEQXFCSV-HOCLYGCPSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000520433355 386675009 /nfs/dbraw/zinc/67/50/09/386675009.db2.gz SCNDHBAEQXFCSV-ZBFHGGJFSA-N 1 0 229.367 3.831 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000520459888 386681041 /nfs/dbraw/zinc/68/10/41/386681041.db2.gz NGFFBENOIAKKNH-HNNXBMFYSA-N 1 0 245.366 3.550 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000520459889 386680584 /nfs/dbraw/zinc/68/05/84/386680584.db2.gz NGFFBENOIAKKNH-OAHLLOKOSA-N 1 0 245.366 3.550 20 30 BHEDRO C=C(C)C[N@@H+](CCc1ccccc1)CC(C)C ZINC000520605889 386705025 /nfs/dbraw/zinc/70/50/25/386705025.db2.gz KPYJOICOGNTPRA-UHFFFAOYSA-N 1 0 231.383 3.763 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCCC12CC2 ZINC000520611428 386706599 /nfs/dbraw/zinc/70/65/99/386706599.db2.gz LXKZKPLWHJSDRH-CYBMUJFWSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCCC12CC2 ZINC000520611429 256676538 /nfs/dbraw/zinc/67/65/38/256676538.db2.gz LXKZKPLWHJSDRH-ZDUSSCGKSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCCCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000520727549 386787344 /nfs/dbraw/zinc/78/73/44/386787344.db2.gz KUSCZQBTOAOEFH-LLVKDONJSA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCCCC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000520727553 386787300 /nfs/dbraw/zinc/78/73/00/386787300.db2.gz KUSCZQBTOAOEFH-NSHDSACASA-N 1 0 235.293 3.617 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000520936746 388558350 /nfs/dbraw/zinc/55/83/50/388558350.db2.gz HVGBTMBPFUWIQY-AWEZNQCLSA-N 1 0 247.382 3.524 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000520936749 388558916 /nfs/dbraw/zinc/55/89/16/388558916.db2.gz HVGBTMBPFUWIQY-CQSZACIVSA-N 1 0 247.382 3.524 20 30 BHEDRO C=CCCC[NH2+]Cc1cccn1CCC(C)C ZINC000521022505 388560142 /nfs/dbraw/zinc/56/01/42/388560142.db2.gz SLEADYKWZFDSPL-UHFFFAOYSA-N 1 0 234.387 3.590 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1C)C1CC1 ZINC000521187351 363121966 /nfs/dbraw/zinc/12/19/66/363121966.db2.gz KVCJMJYBHXLREU-UHFFFAOYSA-N 1 0 215.340 3.536 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000521188614 324178820 /nfs/dbraw/zinc/17/88/20/324178820.db2.gz HSLVSXVPTBSQMI-UHFFFAOYSA-N 1 0 247.357 3.799 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1F)CC(C)C ZINC000521189446 384928640 /nfs/dbraw/zinc/92/86/40/384928640.db2.gz BYCRRABWMAVAPT-UHFFFAOYSA-N 1 0 235.346 3.860 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1)CC(C)C ZINC000521189584 324178839 /nfs/dbraw/zinc/17/88/39/324178839.db2.gz JEYPWPMIKQDIRT-UHFFFAOYSA-N 1 0 217.356 3.721 20 30 BHEDRO C=CC[N@@H+](CCC)[C@H](C)c1ccccc1OC ZINC000521193552 324178871 /nfs/dbraw/zinc/17/88/71/324178871.db2.gz IKILGSPHRMECPN-CYBMUJFWSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CC[N@@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000521193553 324178480 /nfs/dbraw/zinc/17/84/80/324178480.db2.gz IKILGSPHRMECPN-ZDUSSCGKSA-N 1 0 233.355 3.654 20 30 BHEDRO C=C(C)C[N@@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000521195552 324179069 /nfs/dbraw/zinc/17/90/69/324179069.db2.gz GXGBJRKHDUYRFR-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1sccc1Cl ZINC000521374333 384432198 /nfs/dbraw/zinc/43/21/98/384432198.db2.gz WHLGYKWNYCDRAE-UHFFFAOYSA-N 1 0 229.776 3.800 20 30 BHEDRO C=CCN(CC=C)Cc1ccccc1OC(C)C ZINC000521374340 384432567 /nfs/dbraw/zinc/43/25/67/384432567.db2.gz ZARARVUDQPZLDL-UHFFFAOYSA-N 1 0 245.366 3.648 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@H]1c1cccn1C ZINC000521543307 388616686 /nfs/dbraw/zinc/61/66/86/388616686.db2.gz TYTLKIHDROZFDZ-HNNXBMFYSA-N 1 0 232.371 3.518 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000521543308 388616783 /nfs/dbraw/zinc/61/67/83/388616783.db2.gz TYTLKIHDROZFDZ-OAHLLOKOSA-N 1 0 232.371 3.518 20 30 BHEDRO C=C(C)C[N@@H+](CCC(C)C)C1CCCC1 ZINC000521815462 388629802 /nfs/dbraw/zinc/62/98/02/388629802.db2.gz IBIWPFIYTYBNGY-UHFFFAOYSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CC[N@@H+](CCC)[C@H]1CCc2ccccc21 ZINC000521819326 388630545 /nfs/dbraw/zinc/63/05/45/388630545.db2.gz YVKJMQIBYMXFIQ-HNNXBMFYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CC[N@@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000521819327 388630847 /nfs/dbraw/zinc/63/08/47/388630847.db2.gz YVKJMQIBYMXFIQ-OAHLLOKOSA-N 1 0 215.340 3.572 20 30 BHEDRO C[C@@H](C#N)C[N@H+](C[C@H](C)C1CCCCC1)C1CC1 ZINC000521837071 259553406 /nfs/dbraw/zinc/55/34/06/259553406.db2.gz YWCVFFOMYQJKAA-KBPBESRZSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)C1CCCCC1 ZINC000521837072 388633675 /nfs/dbraw/zinc/63/36/75/388633675.db2.gz YWCVFFOMYQJKAA-KGLIPLIRSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H](C#N)C[N@H+](C[C@@H](C)C1CCCCC1)C1CC1 ZINC000521837073 388633793 /nfs/dbraw/zinc/63/37/93/388633793.db2.gz YWCVFFOMYQJKAA-UONOGXRCSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@H](C#N)C[N@H+](C[C@@H](C)C1CCCCC1)C1CC1 ZINC000521837074 388633140 /nfs/dbraw/zinc/63/31/40/388633140.db2.gz YWCVFFOMYQJKAA-ZIAGYGMSSA-N 1 0 248.414 3.827 20 30 BHEDRO C=CC1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000522081440 398109307 /nfs/dbraw/zinc/10/93/07/398109307.db2.gz DVQHNVGPJVVQKL-UHFFFAOYSA-N 1 0 229.367 3.701 20 30 BHEDRO C=CC1CC[NH+](CCCc2ccccc2)CC1 ZINC000522082954 324199338 /nfs/dbraw/zinc/19/93/38/324199338.db2.gz WVDQJATVBGIXHI-UHFFFAOYSA-N 1 0 229.367 3.517 20 30 BHEDRO C=CC[N@@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000522659324 388770572 /nfs/dbraw/zinc/77/05/72/388770572.db2.gz OEFRRBMRYFGJIM-UHFFFAOYSA-N 1 0 249.785 3.781 20 30 BHEDRO C=C(C)C[N@H+](CC)CCSc1ccccc1 ZINC000522775446 350004357 /nfs/dbraw/zinc/00/43/57/350004357.db2.gz VZZZTJQARVSDRU-UHFFFAOYSA-N 1 0 235.396 3.677 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000522775449 350004603 /nfs/dbraw/zinc/00/46/03/350004603.db2.gz WMKIYBDJMMNTAK-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=CCCC[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000522775477 350004220 /nfs/dbraw/zinc/00/42/20/350004220.db2.gz ZLNJSPHLKZBCBF-UHFFFAOYSA-N 1 0 247.382 3.526 20 30 BHEDRO C=CC1CC[NH+](CCSc2ccccc2)CC1 ZINC000522775629 385870293 /nfs/dbraw/zinc/87/02/93/385870293.db2.gz MWBMVSSQNFXLML-UHFFFAOYSA-N 1 0 247.407 3.677 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC000522775661 262744948 /nfs/dbraw/zinc/74/49/48/262744948.db2.gz RXOGHTYPFCYBDC-UHFFFAOYSA-N 1 0 217.356 3.783 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000522775664 385869816 /nfs/dbraw/zinc/86/98/16/385869816.db2.gz SBDJFKRRDGUHPG-HNNXBMFYSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000522775665 385870121 /nfs/dbraw/zinc/87/01/21/385870121.db2.gz SBDJFKRRDGUHPG-OAHLLOKOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CCCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000522775867 385870078 /nfs/dbraw/zinc/87/00/78/385870078.db2.gz GJEYNZVSQSEMME-UHFFFAOYSA-N 1 0 233.330 3.756 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000522776212 350005358 /nfs/dbraw/zinc/00/53/58/350005358.db2.gz QQKSPWBTNZBPDF-INIZCTEOSA-N 1 0 229.367 3.660 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000522776213 350005147 /nfs/dbraw/zinc/00/51/47/350005147.db2.gz QQKSPWBTNZBPDF-MRXNPFEDSA-N 1 0 229.367 3.660 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cccc(F)c1 ZINC000522776612 385869185 /nfs/dbraw/zinc/86/91/85/385869185.db2.gz RVDZSRJRKSMNNG-UHFFFAOYSA-N 1 0 221.319 3.614 20 30 BHEDRO C=CCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000522776676 385868358 /nfs/dbraw/zinc/86/83/58/385868358.db2.gz WASPQOMXUSEAKP-UHFFFAOYSA-N 1 0 233.330 3.756 20 30 BHEDRO C=CCCC[N@H+]1CCCC[C@@H](SCC)C1 ZINC000522777044 350012515 /nfs/dbraw/zinc/01/25/15/350012515.db2.gz PKZVBKOARHVLSS-CYBMUJFWSA-N 1 0 227.417 3.560 20 30 BHEDRO C=CCCC[N@H+]1CCCC[C@H](SCC)C1 ZINC000522777045 350011945 /nfs/dbraw/zinc/01/19/45/350011945.db2.gz PKZVBKOARHVLSS-ZDUSSCGKSA-N 1 0 227.417 3.560 20 30 BHEDRO C=CCCC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000522778152 398094910 /nfs/dbraw/zinc/09/49/10/398094910.db2.gz CKFBFGBEPGYSRD-UHFFFAOYSA-N 1 0 229.367 3.926 20 30 BHEDRO C=CCCC[N@H+](Cc1cccs1)C(C)C ZINC000522778958 323092186 /nfs/dbraw/zinc/09/21/86/323092186.db2.gz GQXOTONMSGFOMD-UHFFFAOYSA-N 1 0 223.385 3.925 20 30 BHEDRO C=CCCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000522779184 323091903 /nfs/dbraw/zinc/09/19/03/323091903.db2.gz QNAALIKMVVDZSL-UHFFFAOYSA-N 1 0 247.357 3.799 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000523005571 259640118 /nfs/dbraw/zinc/64/01/18/259640118.db2.gz BORBKQAVCFBXFZ-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=CCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC000523008196 388788007 /nfs/dbraw/zinc/78/80/07/388788007.db2.gz KNQCGYRQYSGLAG-FMIVXFBMSA-N 1 0 215.340 3.598 20 30 BHEDRO C=CCCC[N@@H+](C)C/C=C\c1ccccc1 ZINC000523008197 388787225 /nfs/dbraw/zinc/78/72/25/388787225.db2.gz KNQCGYRQYSGLAG-XFXZXTDPSA-N 1 0 215.340 3.598 20 30 BHEDRO C=CCCC[N@@H+](C)CCOc1c(C)cccc1C ZINC000523008889 388787761 /nfs/dbraw/zinc/78/77/61/388787761.db2.gz FILFXJQRNCOKGL-UHFFFAOYSA-N 1 0 247.382 3.580 20 30 BHEDRO C=CCCC[N@@H+](C)CCCc1ccccc1 ZINC000523011329 388788825 /nfs/dbraw/zinc/78/88/25/388788825.db2.gz MJSUWDXYLKHNSK-UHFFFAOYSA-N 1 0 217.356 3.517 20 30 BHEDRO C=CCCC[NH+]1CCC(c2ccccc2F)CC1 ZINC000523018908 388788935 /nfs/dbraw/zinc/78/89/35/388788935.db2.gz BMHORRRXJBFPSZ-UHFFFAOYSA-N 1 0 247.357 3.971 20 30 BHEDRO CCC(CC)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000523223548 388677685 /nfs/dbraw/zinc/67/76/85/388677685.db2.gz JDTHSKKWDGCCKN-UHFFFAOYSA-N 1 0 242.366 3.711 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1c(C)cccc1C ZINC000523442193 398113859 /nfs/dbraw/zinc/11/38/59/398113859.db2.gz PKWWTYOGINIFRU-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000523448292 388839101 /nfs/dbraw/zinc/83/91/01/388839101.db2.gz RIXNNLJWZHCNGG-GDBMZVCRSA-N 1 0 229.367 3.954 20 30 BHEDRO C=CC[N@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000523448293 388839918 /nfs/dbraw/zinc/83/99/18/388839918.db2.gz RIXNNLJWZHCNGG-GOEBONIOSA-N 1 0 229.367 3.954 20 30 BHEDRO C=CC[N@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000523448294 259652846 /nfs/dbraw/zinc/65/28/46/259652846.db2.gz RIXNNLJWZHCNGG-HOCLYGCPSA-N 1 0 229.367 3.954 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000523448295 388839210 /nfs/dbraw/zinc/83/92/10/388839210.db2.gz RIXNNLJWZHCNGG-ZBFHGGJFSA-N 1 0 229.367 3.954 20 30 BHEDRO C=CCCC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000523451113 388839895 /nfs/dbraw/zinc/83/98/95/388839895.db2.gz RRSITGXDZIZIGR-GFCCVEGCSA-N 1 0 233.330 3.711 20 30 BHEDRO C=CCCC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000523451114 388839765 /nfs/dbraw/zinc/83/97/65/388839765.db2.gz RRSITGXDZIZIGR-LBPRGKRZSA-N 1 0 233.330 3.711 20 30 BHEDRO C=CCCCCC[N@@H+](C)CC1CCCC1 ZINC000523551023 324208539 /nfs/dbraw/zinc/20/85/39/324208539.db2.gz IAJKCOLCHWIGIX-UHFFFAOYSA-N 1 0 209.377 3.855 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@H]1C=CCCC1 ZINC000523552014 324208174 /nfs/dbraw/zinc/20/81/74/324208174.db2.gz MHTBSDQKWNHPBK-AWEZNQCLSA-N 1 0 207.361 3.773 20 30 BHEDRO C=CCCCCC[N@@H+](C)[C@@H]1C=CCCC1 ZINC000523552017 324208194 /nfs/dbraw/zinc/20/81/94/324208194.db2.gz MHTBSDQKWNHPBK-CQSZACIVSA-N 1 0 207.361 3.773 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccccc1 ZINC000523558020 324208256 /nfs/dbraw/zinc/20/82/56/324208256.db2.gz MCWKPICKXKRLQB-UHFFFAOYSA-N 1 0 217.356 3.865 20 30 BHEDRO C=C(C)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000523586609 324209062 /nfs/dbraw/zinc/20/90/62/324209062.db2.gz WWOBABCEFRSGTA-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=CC1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000523606612 324209238 /nfs/dbraw/zinc/20/92/38/324209238.db2.gz HWUSWBBFULVDFA-UHFFFAOYSA-N 1 0 249.785 3.781 20 30 BHEDRO C=CC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000523607476 324209109 /nfs/dbraw/zinc/20/91/09/324209109.db2.gz CSUGSWNGJDJYBY-UHFFFAOYSA-N 1 0 229.367 3.701 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000523607479 324209190 /nfs/dbraw/zinc/20/91/90/324209190.db2.gz CYHNSQBIGKRURP-UHFFFAOYSA-N 1 0 235.758 3.738 20 30 BHEDRO C=CC1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000523609328 388846178 /nfs/dbraw/zinc/84/61/78/388846178.db2.gz IHJSLLXIHSJBBG-HNNXBMFYSA-N 1 0 243.394 3.906 20 30 BHEDRO C=CC1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000523609329 262917887 /nfs/dbraw/zinc/91/78/87/262917887.db2.gz IHJSLLXIHSJBBG-OAHLLOKOSA-N 1 0 243.394 3.906 20 30 BHEDRO C=C(C)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000523760651 388859290 /nfs/dbraw/zinc/85/92/90/388859290.db2.gz DXSIOAYDIYUCTK-UHFFFAOYSA-N 1 0 233.330 3.614 20 30 BHEDRO C=C(C)C[N@H+](CC)CCc1ccc(CC)cc1 ZINC000523775318 388859317 /nfs/dbraw/zinc/85/93/17/388859317.db2.gz JZVHQRBZMQTFQT-UHFFFAOYSA-N 1 0 231.383 3.690 20 30 BHEDRO C=C(C)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000524042279 388346375 /nfs/dbraw/zinc/34/63/75/388346375.db2.gz AWOLSUSIGSRUBD-INIZCTEOSA-N 1 0 229.367 3.660 20 30 BHEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000524042281 388346315 /nfs/dbraw/zinc/34/63/15/388346315.db2.gz AWOLSUSIGSRUBD-MRXNPFEDSA-N 1 0 229.367 3.660 20 30 BHEDRO C=CC[N@H+](CCc1ccccc1)[C@H]1C=CCCC1 ZINC000524175792 388349781 /nfs/dbraw/zinc/34/97/81/388349781.db2.gz WCEFYTIKFSPQPO-KRWDZBQOSA-N 1 0 241.378 3.826 20 30 BHEDRO C=CC[N@H+](CCc1ccccc1)[C@@H]1C=CCCC1 ZINC000524175793 388349712 /nfs/dbraw/zinc/34/97/12/388349712.db2.gz WCEFYTIKFSPQPO-QGZVFWFLSA-N 1 0 241.378 3.826 20 30 BHEDRO C=CCCC[N@@H+](C)CCOc1cccc(CC)c1 ZINC000524247866 388353519 /nfs/dbraw/zinc/35/35/19/388353519.db2.gz HLGIDENTBPETQA-UHFFFAOYSA-N 1 0 247.382 3.526 20 30 BHEDRO C=C(C)C[N@H+](CC1CC1)C1CCCCC1 ZINC000524365608 388355985 /nfs/dbraw/zinc/35/59/85/388355985.db2.gz PPMWYRRTSICPFM-UHFFFAOYSA-N 1 0 207.361 3.607 20 30 BHEDRO C=C1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000524597877 259672860 /nfs/dbraw/zinc/67/28/60/259672860.db2.gz VGJBVOZSKFDMER-HNNXBMFYSA-N 1 0 233.330 3.929 20 30 BHEDRO C=C1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000524597878 388367776 /nfs/dbraw/zinc/36/77/76/388367776.db2.gz VGJBVOZSKFDMER-OAHLLOKOSA-N 1 0 233.330 3.929 20 30 BHEDRO C=C1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000524676262 388372005 /nfs/dbraw/zinc/37/20/05/388372005.db2.gz MYTUOFWPQCNWHA-HNNXBMFYSA-N 1 0 229.367 3.660 20 30 BHEDRO C=C1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000524676263 259674473 /nfs/dbraw/zinc/67/44/73/259674473.db2.gz MYTUOFWPQCNWHA-OAHLLOKOSA-N 1 0 229.367 3.660 20 30 BHEDRO CC#CC[N@H+]1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000524768130 388408061 /nfs/dbraw/zinc/40/80/61/388408061.db2.gz RNBYMIGCHBLKAU-DLBZAZTESA-N 1 0 241.378 3.668 20 30 BHEDRO CC#CC[N@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000524768131 388407943 /nfs/dbraw/zinc/40/79/43/388407943.db2.gz RNBYMIGCHBLKAU-IAGOWNOFSA-N 1 0 241.378 3.668 20 30 BHEDRO CC#CC[N@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000524768132 388408174 /nfs/dbraw/zinc/40/81/74/388408174.db2.gz RNBYMIGCHBLKAU-IRXDYDNUSA-N 1 0 241.378 3.668 20 30 BHEDRO CC#CC[N@H+]1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000524768133 388408040 /nfs/dbraw/zinc/40/80/40/388408040.db2.gz RNBYMIGCHBLKAU-SJORKVTESA-N 1 0 241.378 3.668 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000524811213 259692162 /nfs/dbraw/zinc/69/21/62/259692162.db2.gz AVSWZGRCEYCECG-UHFFFAOYSA-N 1 0 217.356 3.818 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000524811259 388410672 /nfs/dbraw/zinc/41/06/72/388410672.db2.gz BTOILFVATMSFTC-INIZCTEOSA-N 1 0 229.367 3.517 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000524811267 259692017 /nfs/dbraw/zinc/69/20/17/259692017.db2.gz BTOILFVATMSFTC-MRXNPFEDSA-N 1 0 229.367 3.517 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000524811394 388410495 /nfs/dbraw/zinc/41/04/95/388410495.db2.gz JCOONNPFDBYDMC-AWEZNQCLSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000524811397 388410344 /nfs/dbraw/zinc/41/03/44/388410344.db2.gz JCOONNPFDBYDMC-CQSZACIVSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000524811407 388410055 /nfs/dbraw/zinc/41/00/55/388410055.db2.gz HYABETXZBPPBFY-LLVKDONJSA-N 1 0 223.747 3.909 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000524811410 388410331 /nfs/dbraw/zinc/41/03/31/388410331.db2.gz HYABETXZBPPBFY-NSHDSACASA-N 1 0 223.747 3.909 20 30 BHEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000524811622 388409917 /nfs/dbraw/zinc/40/99/17/388409917.db2.gz FAEDAKSONJWZHB-AWEZNQCLSA-N 1 0 229.367 3.863 20 30 BHEDRO C=CCC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000524811624 388410597 /nfs/dbraw/zinc/41/05/97/388410597.db2.gz FAEDAKSONJWZHB-CQSZACIVSA-N 1 0 229.367 3.863 20 30 BHEDRO C=CCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000524811707 388410324 /nfs/dbraw/zinc/41/03/24/388410324.db2.gz LKXXTPKFZLPNOD-UHFFFAOYSA-N 1 0 229.367 3.865 20 30 BHEDRO C=CCC[N@@H+](CCC)Cc1ccc(C)cc1 ZINC000524811769 259692298 /nfs/dbraw/zinc/69/22/98/259692298.db2.gz JRORZUAFBBOLOB-UHFFFAOYSA-N 1 0 217.356 3.783 20 30 BHEDRO C=CCC[N@@H+](CCC)Cc1ccc(F)cc1 ZINC000524812077 388410305 /nfs/dbraw/zinc/41/03/05/388410305.db2.gz NLEQSKSGNDNLCV-UHFFFAOYSA-N 1 0 221.319 3.614 20 30 BHEDRO C=CCC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000524812194 388410717 /nfs/dbraw/zinc/41/07/17/388410717.db2.gz YNQUFLUZNGVGDG-INIZCTEOSA-N 1 0 229.367 3.616 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000524812195 388410032 /nfs/dbraw/zinc/41/00/32/388410032.db2.gz YNQUFLUZNGVGDG-MRXNPFEDSA-N 1 0 229.367 3.616 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000524812203 388409865 /nfs/dbraw/zinc/40/98/65/388409865.db2.gz ZESPUELZXYFSKW-INIZCTEOSA-N 1 0 229.367 3.660 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000524812204 388410778 /nfs/dbraw/zinc/41/07/78/388410778.db2.gz ZESPUELZXYFSKW-MRXNPFEDSA-N 1 0 229.367 3.660 20 30 BHEDRO C=C(C)C[N@H+]1CCCCC[C@H]1CC(C)C ZINC000524892890 388413384 /nfs/dbraw/zinc/41/33/84/388413384.db2.gz RLLRTTBGXIZSGV-AWEZNQCLSA-N 1 0 209.377 3.853 20 30 BHEDRO C=C(C)C[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000524892891 388413131 /nfs/dbraw/zinc/41/31/31/388413131.db2.gz RLLRTTBGXIZSGV-CQSZACIVSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCC[N@H+]1CCCCC[C@H]1CC(C)C ZINC000524907753 388413074 /nfs/dbraw/zinc/41/30/74/388413074.db2.gz DOMJZMZTCYFRKK-AWEZNQCLSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCC[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000524907754 388412559 /nfs/dbraw/zinc/41/25/59/388412559.db2.gz DOMJZMZTCYFRKK-CQSZACIVSA-N 1 0 209.377 3.853 20 30 BHEDRO CC#CC[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000525119413 388417104 /nfs/dbraw/zinc/41/71/04/388417104.db2.gz DCRAEBXWBOGICF-UHFFFAOYSA-N 1 0 237.346 3.685 20 30 BHEDRO CC#CC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000525119601 388416500 /nfs/dbraw/zinc/41/65/00/388416500.db2.gz SNWFTFRVLGEXKX-UHFFFAOYSA-N 1 0 249.357 3.828 20 30 BHEDRO CC#CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000525120409 388416716 /nfs/dbraw/zinc/41/67/16/388416716.db2.gz USABJWSAABQRKG-AWEZNQCLSA-N 1 0 233.742 3.500 20 30 BHEDRO CC#CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000525120410 388416544 /nfs/dbraw/zinc/41/65/44/388416544.db2.gz USABJWSAABQRKG-CQSZACIVSA-N 1 0 233.742 3.500 20 30 BHEDRO CC#CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000525120729 388416651 /nfs/dbraw/zinc/41/66/51/388416651.db2.gz QOOIQKNPITXGJC-AWEZNQCLSA-N 1 0 233.742 3.500 20 30 BHEDRO CC#CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000525120730 388416372 /nfs/dbraw/zinc/41/63/72/388416372.db2.gz QOOIQKNPITXGJC-CQSZACIVSA-N 1 0 233.742 3.500 20 30 BHEDRO CC#CC[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000525121647 388416448 /nfs/dbraw/zinc/41/64/48/388416448.db2.gz XTOHQRCRNJAGIH-HNNXBMFYSA-N 1 0 241.378 3.873 20 30 BHEDRO CC#CC[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000525121648 388416630 /nfs/dbraw/zinc/41/66/30/388416630.db2.gz XTOHQRCRNJAGIH-OAHLLOKOSA-N 1 0 241.378 3.873 20 30 BHEDRO CC#CC[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000525121898 388416856 /nfs/dbraw/zinc/41/68/56/388416856.db2.gz JTADPAQMUDCDJV-INIZCTEOSA-N 1 0 229.367 3.647 20 30 BHEDRO CC#CC[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000525121899 388417061 /nfs/dbraw/zinc/41/70/61/388417061.db2.gz JTADPAQMUDCDJV-MRXNPFEDSA-N 1 0 229.367 3.647 20 30 BHEDRO C=CCCC[N@@H+](C)CCCc1cccc(OC)c1 ZINC000525124020 388417297 /nfs/dbraw/zinc/41/72/97/388417297.db2.gz IZJWYQPFGQXZFT-UHFFFAOYSA-N 1 0 247.382 3.526 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000525127632 388417903 /nfs/dbraw/zinc/41/79/03/388417903.db2.gz KLXZCQVFOAKYRM-HNNXBMFYSA-N 1 0 217.356 3.516 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](CC)Cc1ccccc1 ZINC000525127633 388418104 /nfs/dbraw/zinc/41/81/04/388418104.db2.gz KLXZCQVFOAKYRM-OAHLLOKOSA-N 1 0 217.356 3.516 20 30 BHEDRO C=CCCCN(C)c1cc(C)[nH+]c2ccccc21 ZINC000525192912 388419925 /nfs/dbraw/zinc/41/99/25/388419925.db2.gz VMZQNTFWHCBLSG-UHFFFAOYSA-N 1 0 240.350 3.946 20 30 BHEDRO C=CCCC[N@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000525327909 388425542 /nfs/dbraw/zinc/42/55/42/388425542.db2.gz NTFMYZHAWNMVPE-KBPBESRZSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCCC[N@H+]1CCCC[C@H]1[C@H](C)CC ZINC000525327910 388425447 /nfs/dbraw/zinc/42/54/47/388425447.db2.gz NTFMYZHAWNMVPE-KGLIPLIRSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000525327911 259701174 /nfs/dbraw/zinc/70/11/74/259701174.db2.gz NTFMYZHAWNMVPE-UONOGXRCSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCCC[N@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000525327912 388426063 /nfs/dbraw/zinc/42/60/63/388426063.db2.gz NTFMYZHAWNMVPE-ZIAGYGMSSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCC[N@@H+](CCC)CCc1cccc(F)c1 ZINC000525328188 388425546 /nfs/dbraw/zinc/42/55/46/388425546.db2.gz CNPGWIQTSDVMDW-UHFFFAOYSA-N 1 0 235.346 3.656 20 30 BHEDRO C=CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000525328316 388426029 /nfs/dbraw/zinc/42/60/29/388426029.db2.gz NIBIHXSORJSGGV-INIZCTEOSA-N 1 0 229.367 3.660 20 30 BHEDRO C=CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000525328317 388425922 /nfs/dbraw/zinc/42/59/22/388425922.db2.gz NIBIHXSORJSGGV-MRXNPFEDSA-N 1 0 229.367 3.660 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000525328338 388425495 /nfs/dbraw/zinc/42/54/95/388425495.db2.gz PAXFDPXNFZBELH-INIZCTEOSA-N 1 0 229.367 3.832 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000525328339 259701095 /nfs/dbraw/zinc/70/10/95/259701095.db2.gz PAXFDPXNFZBELH-MRXNPFEDSA-N 1 0 229.367 3.832 20 30 BHEDRO C=CCC[N@@H+](CCC)[C@H]1CCc2ccccc2C1 ZINC000525328351 388425452 /nfs/dbraw/zinc/42/54/52/388425452.db2.gz QPJJMRUZPBRLDV-KRWDZBQOSA-N 1 0 243.394 3.832 20 30 BHEDRO C=CCC[N@@H+](CCC)[C@@H]1CCc2ccccc2C1 ZINC000525328352 388425962 /nfs/dbraw/zinc/42/59/62/388425962.db2.gz QPJJMRUZPBRLDV-QGZVFWFLSA-N 1 0 243.394 3.832 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000525328416 388425835 /nfs/dbraw/zinc/42/58/35/388425835.db2.gz VPKGOVHJYPFKAH-UHFFFAOYSA-N 1 0 231.383 3.992 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000525328485 388426023 /nfs/dbraw/zinc/42/60/23/388426023.db2.gz ANLYJZBSFGUPBX-CYBMUJFWSA-N 1 0 209.377 3.711 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000525328486 259700938 /nfs/dbraw/zinc/70/09/38/259700938.db2.gz ANLYJZBSFGUPBX-ZDUSSCGKSA-N 1 0 209.377 3.711 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000525328522 388426104 /nfs/dbraw/zinc/42/61/04/388426104.db2.gz ALLAAFIPEOWMOL-INIZCTEOSA-N 1 0 229.367 3.578 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000525328523 388425839 /nfs/dbraw/zinc/42/58/39/388425839.db2.gz ALLAAFIPEOWMOL-MRXNPFEDSA-N 1 0 229.367 3.578 20 30 BHEDRO C=CCC[N@@H+](CCC)CC1CCCCC1 ZINC000525328573 388426626 /nfs/dbraw/zinc/42/66/26/388426626.db2.gz GUSKKHIIRHIALD-UHFFFAOYSA-N 1 0 209.377 3.855 20 30 BHEDRO C=CCC[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000525328703 388427063 /nfs/dbraw/zinc/42/70/63/388427063.db2.gz MCIPXIOHJSEVKW-HNNXBMFYSA-N 1 0 247.407 3.661 20 30 BHEDRO C=CCC[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000525328704 388426285 /nfs/dbraw/zinc/42/62/85/388426285.db2.gz MCIPXIOHJSEVKW-OAHLLOKOSA-N 1 0 247.407 3.661 20 30 BHEDRO C=CCC[NH+]1CCC(c2ccccc2F)CC1 ZINC000525328812 388426490 /nfs/dbraw/zinc/42/64/90/388426490.db2.gz NKPRMCDORKTYNL-UHFFFAOYSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000525328822 388426368 /nfs/dbraw/zinc/42/63/68/388426368.db2.gz NWOWHWYKUUXUET-AWEZNQCLSA-N 1 0 217.356 3.863 20 30 BHEDRO C=CCC[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000525328823 388426674 /nfs/dbraw/zinc/42/66/74/388426674.db2.gz NWOWHWYKUUXUET-CQSZACIVSA-N 1 0 217.356 3.863 20 30 BHEDRO C=CCC[N@H+](C1CC1)C1CCC(CC)CC1 ZINC000525328824 388426950 /nfs/dbraw/zinc/42/69/50/388426950.db2.gz NXLBWSOIYCTCSW-UHFFFAOYSA-N 1 0 221.388 3.996 20 30 BHEDRO C=CCC[N@@H+](CC)Cc1ccccc1Cl ZINC000525328943 388426427 /nfs/dbraw/zinc/42/64/27/388426427.db2.gz QXBJPZGJMMOWND-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000525328952 388426695 /nfs/dbraw/zinc/42/66/95/388426695.db2.gz RNSUCIJZOSONEZ-AWEZNQCLSA-N 1 0 217.356 3.872 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000525328953 388426713 /nfs/dbraw/zinc/42/67/13/388426713.db2.gz RNSUCIJZOSONEZ-CQSZACIVSA-N 1 0 217.356 3.872 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000525329024 388426864 /nfs/dbraw/zinc/42/68/64/388426864.db2.gz XWVIDFGISOVFGL-GFCCVEGCSA-N 1 0 237.774 3.779 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000525329035 259700992 /nfs/dbraw/zinc/70/09/92/259700992.db2.gz XWVIDFGISOVFGL-LBPRGKRZSA-N 1 0 237.774 3.779 20 30 BHEDRO C=CCC[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000525329062 388427043 /nfs/dbraw/zinc/42/70/43/388427043.db2.gz ZMGBFLXWUIBUGJ-GFCCVEGCSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CCC[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000525329066 388426869 /nfs/dbraw/zinc/42/68/69/388426869.db2.gz ZMGBFLXWUIBUGJ-LBPRGKRZSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000525329301 388427037 /nfs/dbraw/zinc/42/70/37/388427037.db2.gz VDNBOTLFIHHTJZ-AWEZNQCLSA-N 1 0 217.356 3.872 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000525329302 388426503 /nfs/dbraw/zinc/42/65/03/388426503.db2.gz VDNBOTLFIHHTJZ-CQSZACIVSA-N 1 0 217.356 3.872 20 30 BHEDRO C=CCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000525329332 388427017 /nfs/dbraw/zinc/42/70/17/388427017.db2.gz WVZCNFHMSMUVRQ-UHFFFAOYSA-N 1 0 247.357 3.656 20 30 BHEDRO C=CCCC[N@@H+](C)CCOC1CCCCCC1 ZINC000525411019 388428611 /nfs/dbraw/zinc/42/86/11/388428611.db2.gz NJEUOOLURZHIAO-UHFFFAOYSA-N 1 0 239.403 3.624 20 30 BHEDRO C=C(C)C[N@H+](CC)CCOC1CCCCCC1 ZINC000525422612 388428441 /nfs/dbraw/zinc/42/84/41/388428441.db2.gz AXEGAZSMAAZHLX-UHFFFAOYSA-N 1 0 239.403 3.624 20 30 BHEDRO C=C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000525423447 383824420 /nfs/dbraw/zinc/82/44/20/383824420.db2.gz YDYCZSKYAWLLNR-UHFFFAOYSA-N 1 0 249.785 3.925 20 30 BHEDRO CC#CC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000525632664 384425227 /nfs/dbraw/zinc/42/52/27/384425227.db2.gz AJDSHIKQWDBQCR-INIZCTEOSA-N 1 0 227.351 3.627 20 30 BHEDRO CC#CC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000525632665 384427106 /nfs/dbraw/zinc/42/71/06/384427106.db2.gz AJDSHIKQWDBQCR-MRXNPFEDSA-N 1 0 227.351 3.627 20 30 BHEDRO CC#CC[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000525633059 384450498 /nfs/dbraw/zinc/45/04/98/384450498.db2.gz FSFZTCZQFBKTHT-CYBMUJFWSA-N 1 0 241.334 3.839 20 30 BHEDRO CC#CC[N@@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000525633060 384451330 /nfs/dbraw/zinc/45/13/30/384451330.db2.gz FSFZTCZQFBKTHT-ZDUSSCGKSA-N 1 0 241.334 3.839 20 30 BHEDRO CC#CC[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000525633228 384461253 /nfs/dbraw/zinc/46/12/53/384461253.db2.gz VKFQMODGOFNPJV-UHFFFAOYSA-N 1 0 249.357 3.809 20 30 BHEDRO C=CCC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000525635830 259353088 /nfs/dbraw/zinc/35/30/88/259353088.db2.gz RZWCVJATAQSNRF-UHFFFAOYSA-N 1 0 233.355 3.990 20 30 BHEDRO C=CCCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000525636205 259352912 /nfs/dbraw/zinc/35/29/12/259352912.db2.gz KKKDIDWPTIGDJK-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO CC#CC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000525641203 323004474 /nfs/dbraw/zinc/00/44/74/323004474.db2.gz ZXAXYIPMTMOBON-INIZCTEOSA-N 1 0 227.351 3.545 20 30 BHEDRO CC#CC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000525641204 323004492 /nfs/dbraw/zinc/00/44/92/323004492.db2.gz ZXAXYIPMTMOBON-MRXNPFEDSA-N 1 0 227.351 3.545 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000525783844 259396099 /nfs/dbraw/zinc/39/60/99/259396099.db2.gz FWRDROAFVBYSOG-DOMZBBRYSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000525783845 259396446 /nfs/dbraw/zinc/39/64/46/259396446.db2.gz FWRDROAFVBYSOG-IUODEOHRSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000525783846 259396368 /nfs/dbraw/zinc/39/63/68/259396368.db2.gz FWRDROAFVBYSOG-SWLSCSKDSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000525783847 259396383 /nfs/dbraw/zinc/39/63/83/259396383.db2.gz FWRDROAFVBYSOG-WFASDCNBSA-N 1 0 233.330 3.785 20 30 BHEDRO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1cccc(C#N)c1 ZINC000525859120 388682966 /nfs/dbraw/zinc/68/29/66/388682966.db2.gz GNAXQKBKGMOAHB-GFCCVEGCSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]CC1CC(C)(C)C1)c1cccc(C#N)c1 ZINC000525859121 388682337 /nfs/dbraw/zinc/68/23/37/388682337.db2.gz GNAXQKBKGMOAHB-LBPRGKRZSA-N 1 0 242.366 3.645 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000525869491 386593400 /nfs/dbraw/zinc/59/34/00/386593400.db2.gz NRLPVDLTLDAXRN-BHYGNILZSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000525869492 386594238 /nfs/dbraw/zinc/59/42/38/386594238.db2.gz NRLPVDLTLDAXRN-UAGQMJEPSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000525869493 259443363 /nfs/dbraw/zinc/44/33/63/259443363.db2.gz NRLPVDLTLDAXRN-USXIJHARSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000525869494 386593223 /nfs/dbraw/zinc/59/32/23/386593223.db2.gz NRLPVDLTLDAXRN-XIRDDKMYSA-N 1 0 243.394 3.952 20 30 BHEDRO C[C@H](C#N)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000525973575 388435463 /nfs/dbraw/zinc/43/54/63/388435463.db2.gz FZTYMPAJDWJNEO-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H](C#N)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000525973576 388435539 /nfs/dbraw/zinc/43/55/39/388435539.db2.gz FZTYMPAJDWJNEO-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000525995938 384253352 /nfs/dbraw/zinc/25/33/52/384253352.db2.gz GFQBORWWKIADAY-KBPBESRZSA-N 1 0 247.382 3.743 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000525995939 262730030 /nfs/dbraw/zinc/73/00/30/262730030.db2.gz GFQBORWWKIADAY-KGLIPLIRSA-N 1 0 247.382 3.743 20 30 BHEDRO C=CCCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000525995940 384254460 /nfs/dbraw/zinc/25/44/60/384254460.db2.gz GFQBORWWKIADAY-UONOGXRCSA-N 1 0 247.382 3.743 20 30 BHEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000525995941 262730193 /nfs/dbraw/zinc/73/01/93/262730193.db2.gz GFQBORWWKIADAY-ZIAGYGMSSA-N 1 0 247.382 3.743 20 30 BHEDRO C=CCOc1ccc(C[N@@H+](C)C(C)(C)CC)cc1 ZINC000525999507 388453853 /nfs/dbraw/zinc/45/38/53/388453853.db2.gz MKTHSIHQZPFFDV-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000526107871 323226489 /nfs/dbraw/zinc/22/64/89/323226489.db2.gz JDTHWFZRYSKNSW-GFCCVEGCSA-N 1 0 242.366 3.645 20 30 BHEDRO C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000526107872 323226750 /nfs/dbraw/zinc/22/67/50/323226750.db2.gz JDTHWFZRYSKNSW-LBPRGKRZSA-N 1 0 242.366 3.645 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCCOc1ccccc1 ZINC000526114299 356226164 /nfs/dbraw/zinc/22/61/64/356226164.db2.gz KIHIIDMHRKIBTO-UHFFFAOYSA-N 1 0 247.382 3.744 20 30 BHEDRO C=CC[N@@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000526116190 356256544 /nfs/dbraw/zinc/25/65/44/356256544.db2.gz SYGABVZJHXMASE-LLVKDONJSA-N 1 0 223.747 3.561 20 30 BHEDRO C=CC[N@@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000526116191 356256470 /nfs/dbraw/zinc/25/64/70/356256470.db2.gz SYGABVZJHXMASE-NSHDSACASA-N 1 0 223.747 3.561 20 30 BHEDRO C=CCCC[N@H+](C)CCCCOc1ccccc1 ZINC000526123428 323233654 /nfs/dbraw/zinc/23/36/54/323233654.db2.gz JALHFNTWWSKDRM-UHFFFAOYSA-N 1 0 247.382 3.744 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1)CC1(F)CC1 ZINC000526990454 386720930 /nfs/dbraw/zinc/72/09/30/386720930.db2.gz ZLOBDRCDQGWYAS-UHFFFAOYSA-N 1 0 233.330 3.567 20 30 BHEDRO C=CCOc1cccc(C[N@@H+](C)C(C)(C)CC)c1 ZINC000526992113 386721362 /nfs/dbraw/zinc/72/13/62/386721362.db2.gz QXEIJVSTWFAFMP-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CC[NH+](CC=C)CCCCOc1ccccc1 ZINC000527106091 387932750 /nfs/dbraw/zinc/93/27/50/387932750.db2.gz FBOVVGJRVINCRZ-UHFFFAOYSA-N 1 0 245.366 3.520 20 30 BHEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(CC#N)CC1 ZINC000527207039 262831800 /nfs/dbraw/zinc/83/18/00/262831800.db2.gz YUNKGWMYVUZWAK-GDBMZVCRSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(CC#N)CC1 ZINC000527207040 387533037 /nfs/dbraw/zinc/53/30/37/387533037.db2.gz YUNKGWMYVUZWAK-GOEBONIOSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000527207041 387534023 /nfs/dbraw/zinc/53/40/23/387534023.db2.gz YUNKGWMYVUZWAK-HOCLYGCPSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000527207042 262831857 /nfs/dbraw/zinc/83/18/57/262831857.db2.gz YUNKGWMYVUZWAK-ZBFHGGJFSA-N 1 0 246.398 3.604 20 30 BHEDRO CC(C)C[C@H](C[NH2+]C[C@H](C)C#N)c1ccccc1 ZINC000527235504 262834743 /nfs/dbraw/zinc/83/47/43/262834743.db2.gz WXWQVBLJLSXWSF-GDBMZVCRSA-N 1 0 244.382 3.566 20 30 BHEDRO CC(C)C[C@H](C[NH2+]C[C@@H](C)C#N)c1ccccc1 ZINC000527235505 262834923 /nfs/dbraw/zinc/83/49/23/262834923.db2.gz WXWQVBLJLSXWSF-GOEBONIOSA-N 1 0 244.382 3.566 20 30 BHEDRO CC(C)C[C@@H](C[NH2+]C[C@@H](C)C#N)c1ccccc1 ZINC000527235506 387543505 /nfs/dbraw/zinc/54/35/05/387543505.db2.gz WXWQVBLJLSXWSF-HOCLYGCPSA-N 1 0 244.382 3.566 20 30 BHEDRO CC(C)C[C@@H](C[NH2+]C[C@H](C)C#N)c1ccccc1 ZINC000527235507 262834614 /nfs/dbraw/zinc/83/46/14/262834614.db2.gz WXWQVBLJLSXWSF-ZBFHGGJFSA-N 1 0 244.382 3.566 20 30 BHEDRO C=CCN(CC=C)Cc1cc(F)ccc1Cl ZINC000527324508 387021609 /nfs/dbraw/zinc/02/16/09/387021609.db2.gz MWFPQZFIPZMVJG-UHFFFAOYSA-N 1 0 239.721 3.653 20 30 BHEDRO C=CCN(Cc1cc(F)ccc1Cl)C1CC1 ZINC000527324676 387021787 /nfs/dbraw/zinc/02/17/87/387021787.db2.gz AWDCFDVXTCPLCU-UHFFFAOYSA-N 1 0 239.721 3.630 20 30 BHEDRO CC1=CCC[C@@H](C)[C@H]1C[N@@H+](CCC#N)C(C)C ZINC000527493060 359658826 /nfs/dbraw/zinc/65/88/26/359658826.db2.gz JRXJPRQEROPWMY-CABCVRRESA-N 1 0 234.387 3.603 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+](CCC#N)C(C)C ZINC000527493061 359658797 /nfs/dbraw/zinc/65/87/97/359658797.db2.gz JRXJPRQEROPWMY-GJZGRUSLSA-N 1 0 234.387 3.603 20 30 BHEDRO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](CCC#N)C(C)C ZINC000527493062 359659003 /nfs/dbraw/zinc/65/90/03/359659003.db2.gz JRXJPRQEROPWMY-HUUCEWRRSA-N 1 0 234.387 3.603 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](CCC#N)C(C)C ZINC000527493063 359658893 /nfs/dbraw/zinc/65/88/93/359658893.db2.gz JRXJPRQEROPWMY-LSDHHAIUSA-N 1 0 234.387 3.603 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000527659643 387664258 /nfs/dbraw/zinc/66/42/58/387664258.db2.gz CHBNPSNKXMLJIU-MRVPVSSYSA-N 1 0 249.301 3.821 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000527659644 387664244 /nfs/dbraw/zinc/66/42/44/387664244.db2.gz CHBNPSNKXMLJIU-QMMMGPOBSA-N 1 0 249.301 3.821 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527660860 262872891 /nfs/dbraw/zinc/87/28/91/262872891.db2.gz JLQIPRWOCGEIRK-MRVPVSSYSA-N 1 0 245.700 3.672 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527660861 387663559 /nfs/dbraw/zinc/66/35/59/387663559.db2.gz JLQIPRWOCGEIRK-QMMMGPOBSA-N 1 0 245.700 3.672 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccsc1C(F)(F)F ZINC000527711244 387669406 /nfs/dbraw/zinc/66/94/06/387669406.db2.gz CHLZDYQCLVINLE-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=CCC1([NH2+]Cc2ccnc(C)c2)CCCCC1 ZINC000527715269 387672622 /nfs/dbraw/zinc/67/26/22/387672622.db2.gz FAOSKDCPAGVVNM-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000527718516 387675229 /nfs/dbraw/zinc/67/52/29/387675229.db2.gz UCAYKFVTHLMTKH-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=CC(C)(C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000527738362 387705109 /nfs/dbraw/zinc/70/51/09/387705109.db2.gz VOPZOKYZVFIPDZ-UHFFFAOYSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC(C)(C)CC[NH2+]C1CCC(F)(F)CC1 ZINC000527738889 387703924 /nfs/dbraw/zinc/70/39/24/387703924.db2.gz YXZHAWHOKSJUBX-UHFFFAOYSA-N 1 0 231.330 3.756 20 30 BHEDRO CC1(C#N)CCC([NH2+]CC[C@H]2CC=CCC2)CC1 ZINC000527791312 387717452 /nfs/dbraw/zinc/71/74/52/387717452.db2.gz TXTULQHYLLEYNO-FHERZECASA-N 1 0 246.398 3.795 20 30 BHEDRO CC1(C#N)CCC([NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000527791313 387717623 /nfs/dbraw/zinc/71/76/23/387717623.db2.gz TXTULQHYLLEYNO-QQFBHYJXSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC12CCC2 ZINC000527923171 323729543 /nfs/dbraw/zinc/72/95/43/323729543.db2.gz CJBFIEXGWRRMLP-GFCCVEGCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC12CCC2 ZINC000527923175 387791396 /nfs/dbraw/zinc/79/13/96/387791396.db2.gz CJBFIEXGWRRMLP-LBPRGKRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCCC12CC2 ZINC000527924230 323730330 /nfs/dbraw/zinc/73/03/30/323730330.db2.gz HUWAWEQAAWQMQZ-GFCCVEGCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H]1CCCC12CC2 ZINC000527924233 387791245 /nfs/dbraw/zinc/79/12/45/387791245.db2.gz HUWAWEQAAWQMQZ-LBPRGKRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000527925073 387791003 /nfs/dbraw/zinc/79/10/03/387791003.db2.gz KIPIQCDHRBIDJP-CYBMUJFWSA-N 1 0 245.366 3.571 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000527925076 323731805 /nfs/dbraw/zinc/73/18/05/323731805.db2.gz KIPIQCDHRBIDJP-ZDUSSCGKSA-N 1 0 245.366 3.571 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H]1CCCc2cccnc21 ZINC000527928006 387792962 /nfs/dbraw/zinc/79/29/62/387792962.db2.gz SQBWZGNPDMLVDD-AWEZNQCLSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000527928007 262895814 /nfs/dbraw/zinc/89/58/14/262895814.db2.gz SQBWZGNPDMLVDD-CQSZACIVSA-N 1 0 244.382 3.651 20 30 BHEDRO CC[C@H]([NH2+]CC1CC=CC1)c1ccc(C#N)cc1 ZINC000527951561 388701711 /nfs/dbraw/zinc/70/17/11/388701711.db2.gz QMMQHZBDLIWENY-INIZCTEOSA-N 1 0 240.350 3.565 20 30 BHEDRO CC[C@@H]([NH2+]CC1CC=CC1)c1ccc(C#N)cc1 ZINC000527951564 388701800 /nfs/dbraw/zinc/70/18/00/388701800.db2.gz QMMQHZBDLIWENY-MRXNPFEDSA-N 1 0 240.350 3.565 20 30 BHEDRO C=CCC[N@@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000528473215 262951052 /nfs/dbraw/zinc/95/10/52/262951052.db2.gz MYVMAHGWMNFGOE-UHFFFAOYSA-N 1 0 246.379 3.613 20 30 BHEDRO C/C(Cl)=C/C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000528525450 388707839 /nfs/dbraw/zinc/70/78/39/388707839.db2.gz KQSXKYROGLPGEN-RDQDRAATSA-N 1 0 248.757 3.694 20 30 BHEDRO C/C(Cl)=C/C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000528525455 262935543 /nfs/dbraw/zinc/93/55/43/262935543.db2.gz KQSXKYROGLPGEN-SEVUFMINSA-N 1 0 248.757 3.694 20 30 BHEDRO C/C(Cl)=C\C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000528525457 388707922 /nfs/dbraw/zinc/70/79/22/388707922.db2.gz KQSXKYROGLPGEN-VNKGSWCUSA-N 1 0 248.757 3.694 20 30 BHEDRO C/C(Cl)=C\C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000528525459 388707859 /nfs/dbraw/zinc/70/78/59/388707859.db2.gz KQSXKYROGLPGEN-YTRUQHMWSA-N 1 0 248.757 3.694 20 30 BHEDRO Cc1ccc(C[N@H+](CCC#N)C(C)(C)C)cc1 ZINC000528595523 388550614 /nfs/dbraw/zinc/55/06/14/388550614.db2.gz VTXCBOSXFZQFRT-UHFFFAOYSA-N 1 0 230.355 3.509 20 30 BHEDRO C=CCC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528606066 384539726 /nfs/dbraw/zinc/53/97/26/384539726.db2.gz ZDIIGJSIWMERAN-UHFFFAOYSA-N 1 0 246.379 3.697 20 30 BHEDRO C=C(C)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528612428 388552675 /nfs/dbraw/zinc/55/26/75/388552675.db2.gz KWQHEUMBYNEKHO-UHFFFAOYSA-N 1 0 246.379 3.697 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(F)cn2)CCCCC1 ZINC000528709781 388561234 /nfs/dbraw/zinc/56/12/34/388561234.db2.gz YDALSJPXUICGRF-UHFFFAOYSA-N 1 0 248.345 3.589 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc2cc[nH]c2c1 ZINC000529517495 324321334 /nfs/dbraw/zinc/32/13/34/324321334.db2.gz PIKHEVMRSOOZTC-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529532058 323182673 /nfs/dbraw/zinc/18/26/73/323182673.db2.gz HSUPPJKLEPBSLH-UHFFFAOYSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000529636856 324367800 /nfs/dbraw/zinc/36/78/00/324367800.db2.gz JOVYKOXUDSXXDH-CYBMUJFWSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H]1CC=C(C)CC1 ZINC000529636857 324368052 /nfs/dbraw/zinc/36/80/52/324368052.db2.gz JOVYKOXUDSXXDH-ZDUSSCGKSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CC(C)(C)CC[NH2+]C1CC2(CCC2)C1 ZINC000529637693 324368871 /nfs/dbraw/zinc/36/88/71/324368871.db2.gz VKXSQLTUUSTAON-UHFFFAOYSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529638050 324368503 /nfs/dbraw/zinc/36/85/03/324368503.db2.gz DZFQBPXXGSWAAX-CYBMUJFWSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529638051 324368749 /nfs/dbraw/zinc/36/87/49/324368749.db2.gz DZFQBPXXGSWAAX-ZDUSSCGKSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000530336969 388650013 /nfs/dbraw/zinc/65/00/13/388650013.db2.gz VZVCXMGHEFADDT-UHFFFAOYSA-N 1 0 239.721 3.630 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000530552983 322861013 /nfs/dbraw/zinc/86/10/13/322861013.db2.gz PIQWNHTYYNCESD-JTQLQIEISA-N 1 0 233.286 3.799 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000530552984 322860782 /nfs/dbraw/zinc/86/07/82/322860782.db2.gz PIQWNHTYYNCESD-SNVBAGLBSA-N 1 0 233.286 3.799 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C2(CC)CCC2)c1 ZINC000530729273 385026800 /nfs/dbraw/zinc/02/68/00/385026800.db2.gz ONFVOOQFVQPKLB-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000530866274 385115651 /nfs/dbraw/zinc/11/56/51/385115651.db2.gz IAJYVYLTMSHGDR-GDBMZVCRSA-N 1 0 229.367 3.516 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000530866275 385114946 /nfs/dbraw/zinc/11/49/46/385114946.db2.gz IAJYVYLTMSHGDR-GOEBONIOSA-N 1 0 229.367 3.516 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000530866276 385114208 /nfs/dbraw/zinc/11/42/08/385114208.db2.gz IAJYVYLTMSHGDR-HOCLYGCPSA-N 1 0 229.367 3.516 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000530866277 385118545 /nfs/dbraw/zinc/11/85/45/385118545.db2.gz IAJYVYLTMSHGDR-ZBFHGGJFSA-N 1 0 229.367 3.516 20 30 BHEDRO C=CCCC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000530902052 385157415 /nfs/dbraw/zinc/15/74/15/385157415.db2.gz BDFHUYTXVAFVLE-CYBMUJFWSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000530902056 385158273 /nfs/dbraw/zinc/15/82/73/385158273.db2.gz BDFHUYTXVAFVLE-ZDUSSCGKSA-N 1 0 215.340 3.572 20 30 BHEDRO CCC(CC)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000531105479 384961126 /nfs/dbraw/zinc/96/11/26/384961126.db2.gz DPNICLBHBXECIT-UHFFFAOYSA-N 1 0 236.403 3.969 20 30 BHEDRO CCC(CC)C[N@@H+](CC=C(C)C)CCC#N ZINC000531143693 323072004 /nfs/dbraw/zinc/07/20/04/323072004.db2.gz TWACLODUAVJYSZ-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000531343388 323087642 /nfs/dbraw/zinc/08/76/42/323087642.db2.gz IXLBCDADVKCERA-DOMZBBRYSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000531343394 323087601 /nfs/dbraw/zinc/08/76/01/323087601.db2.gz IXLBCDADVKCERA-IUODEOHRSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000531343395 323087599 /nfs/dbraw/zinc/08/75/99/323087599.db2.gz IXLBCDADVKCERA-SWLSCSKDSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000531343396 323087652 /nfs/dbraw/zinc/08/76/52/323087652.db2.gz IXLBCDADVKCERA-WFASDCNBSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000531343485 323087636 /nfs/dbraw/zinc/08/76/36/323087636.db2.gz WIPCGONCLQSAQU-UHFFFAOYSA-N 1 0 229.323 3.831 20 30 BHEDRO C=CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000531452773 323091302 /nfs/dbraw/zinc/09/13/02/323091302.db2.gz LDOPUBJSBOBZCW-HNNXBMFYSA-N 1 0 233.330 3.929 20 30 BHEDRO C=CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000531452775 323091311 /nfs/dbraw/zinc/09/13/11/323091311.db2.gz LDOPUBJSBOBZCW-OAHLLOKOSA-N 1 0 233.330 3.929 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000531695423 323111586 /nfs/dbraw/zinc/11/15/86/323111586.db2.gz TUOQJKMMCJKCND-BBRMVZONSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000531695424 323111593 /nfs/dbraw/zinc/11/15/93/323111593.db2.gz TUOQJKMMCJKCND-CJNGLKHVSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000531695425 323111744 /nfs/dbraw/zinc/11/17/44/323111744.db2.gz TUOQJKMMCJKCND-CZUORRHYSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000531695426 323111814 /nfs/dbraw/zinc/11/18/14/323111814.db2.gz TUOQJKMMCJKCND-XJKSGUPXSA-N 1 0 242.366 3.954 20 30 BHEDRO N#CCCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531705066 323111966 /nfs/dbraw/zinc/11/19/66/323111966.db2.gz ZNGTYTPMTGJTGS-AWEZNQCLSA-N 1 0 248.757 3.611 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531705084 323111902 /nfs/dbraw/zinc/11/19/02/323111902.db2.gz ZNGTYTPMTGJTGS-CQSZACIVSA-N 1 0 248.757 3.611 20 30 BHEDRO CCC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000531815961 323114351 /nfs/dbraw/zinc/11/43/51/323114351.db2.gz XYKSCVIUYGCMJG-AWEZNQCLSA-N 1 0 242.366 3.570 20 30 BHEDRO CCC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000531815962 323114399 /nfs/dbraw/zinc/11/43/99/323114399.db2.gz XYKSCVIUYGCMJG-CQSZACIVSA-N 1 0 242.366 3.570 20 30 BHEDRO CCC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000531816288 323114423 /nfs/dbraw/zinc/11/44/23/323114423.db2.gz FQGSNPSIHZSYIM-HNNXBMFYSA-N 1 0 242.366 3.570 20 30 BHEDRO CCC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000531816289 323114377 /nfs/dbraw/zinc/11/43/77/323114377.db2.gz FQGSNPSIHZSYIM-OAHLLOKOSA-N 1 0 242.366 3.570 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000531951133 323157007 /nfs/dbraw/zinc/15/70/07/323157007.db2.gz AOSFMUSSGOSNMR-BFHYXJOUSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000531951134 323156926 /nfs/dbraw/zinc/15/69/26/323156926.db2.gz AOSFMUSSGOSNMR-IHRRRGAJSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000531951135 323156990 /nfs/dbraw/zinc/15/69/90/323156990.db2.gz AOSFMUSSGOSNMR-MELADBBJSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000531951136 323156944 /nfs/dbraw/zinc/15/69/44/323156944.db2.gz AOSFMUSSGOSNMR-MJBXVCDLSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(O)(CCC)CCC ZINC000531968572 323160164 /nfs/dbraw/zinc/16/01/64/323160164.db2.gz QHVHZSGGQCCMMC-KBPBESRZSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(O)(CCC)CCC ZINC000531968573 323160154 /nfs/dbraw/zinc/16/01/54/323160154.db2.gz QHVHZSGGQCCMMC-KGLIPLIRSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(O)(CCC)CCC ZINC000531968574 323160208 /nfs/dbraw/zinc/16/02/08/323160208.db2.gz QHVHZSGGQCCMMC-UONOGXRCSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(O)(CCC)CCC ZINC000531968575 323160267 /nfs/dbraw/zinc/16/02/67/323160267.db2.gz QHVHZSGGQCCMMC-ZIAGYGMSSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CC[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000532048030 323169654 /nfs/dbraw/zinc/16/96/54/323169654.db2.gz YIYWEYJVXPCOEE-AWEZNQCLSA-N 1 0 247.338 3.752 20 30 BHEDRO C=CC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000532048031 323169613 /nfs/dbraw/zinc/16/96/13/323169613.db2.gz YIYWEYJVXPCOEE-CQSZACIVSA-N 1 0 247.338 3.752 20 30 BHEDRO C=CCC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000532059206 323170787 /nfs/dbraw/zinc/17/07/87/323170787.db2.gz OFXZQJDUKVJQFS-UHFFFAOYSA-N 1 0 245.341 3.881 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCc1ccc(C)o1 ZINC000532195855 323208598 /nfs/dbraw/zinc/20/85/98/323208598.db2.gz PZXPEAZTXMSEPV-AWEZNQCLSA-N 1 0 235.371 3.855 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCc1ccc(C)o1 ZINC000532195856 323208681 /nfs/dbraw/zinc/20/86/81/323208681.db2.gz PZXPEAZTXMSEPV-CQSZACIVSA-N 1 0 235.371 3.855 20 30 BHEDRO C=CCC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000532292709 323213398 /nfs/dbraw/zinc/21/33/98/323213398.db2.gz WVSGXZIWDANPQS-UHFFFAOYSA-N 1 0 247.357 3.656 20 30 BHEDRO CCC[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000532326660 323250064 /nfs/dbraw/zinc/25/00/64/323250064.db2.gz CWSCLBORCDOKGS-AWEZNQCLSA-N 1 0 242.366 3.570 20 30 BHEDRO CCC[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000532326661 323250027 /nfs/dbraw/zinc/25/00/27/323250027.db2.gz CWSCLBORCDOKGS-CQSZACIVSA-N 1 0 242.366 3.570 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000532461690 323266389 /nfs/dbraw/zinc/26/63/89/323266389.db2.gz OCRZPHCVXCJIFQ-BFHYXJOUSA-N 1 0 235.371 3.791 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000532461691 323266396 /nfs/dbraw/zinc/26/63/96/323266396.db2.gz OCRZPHCVXCJIFQ-IHRRRGAJSA-N 1 0 235.371 3.791 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000532461692 323266608 /nfs/dbraw/zinc/26/66/08/323266608.db2.gz OCRZPHCVXCJIFQ-MELADBBJSA-N 1 0 235.371 3.791 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000532461694 323266981 /nfs/dbraw/zinc/26/69/81/323266981.db2.gz OCRZPHCVXCJIFQ-MJBXVCDLSA-N 1 0 235.371 3.791 20 30 BHEDRO CC[N@H+](CCC#N)[C@@H](C)c1c(C)cc(C)cc1C ZINC000532566399 323276978 /nfs/dbraw/zinc/27/69/78/323276978.db2.gz MYJMCNIQSGXSPB-HNNXBMFYSA-N 1 0 244.382 3.908 20 30 BHEDRO CC[N@H+](CCC#N)[C@H](C)c1c(C)cc(C)cc1C ZINC000532566530 323277447 /nfs/dbraw/zinc/27/74/47/323277447.db2.gz MYJMCNIQSGXSPB-OAHLLOKOSA-N 1 0 244.382 3.908 20 30 BHEDRO CC[C@@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000532615718 323280046 /nfs/dbraw/zinc/28/00/46/323280046.db2.gz DSLRQLOAZNKHIW-CYBMUJFWSA-N 1 0 249.785 3.669 20 30 BHEDRO CC[C@H](C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000532615719 323280203 /nfs/dbraw/zinc/28/02/03/323280203.db2.gz DSLRQLOAZNKHIW-ZDUSSCGKSA-N 1 0 249.785 3.669 20 30 BHEDRO C=CC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000532622739 323279426 /nfs/dbraw/zinc/27/94/26/323279426.db2.gz CROMGMPEZHBISJ-UHFFFAOYSA-N 1 0 241.334 3.831 20 30 BHEDRO C=CC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000532653085 323286795 /nfs/dbraw/zinc/28/67/95/323286795.db2.gz KYRKBRSRVROVDB-UHFFFAOYSA-N 1 0 233.330 3.756 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000532687539 323290483 /nfs/dbraw/zinc/29/04/83/323290483.db2.gz CVYSIESIRWHSQR-HNNXBMFYSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000532687540 323290698 /nfs/dbraw/zinc/29/06/98/323290698.db2.gz CVYSIESIRWHSQR-OAHLLOKOSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000532698597 323289516 /nfs/dbraw/zinc/28/95/16/323289516.db2.gz NBCZSTJWGUZYHW-UHFFFAOYSA-N 1 0 233.330 3.761 20 30 BHEDRO C[C@H](C#N)C[N@H+](CCCC1CCCC1)C1CC1 ZINC000532817148 323300966 /nfs/dbraw/zinc/30/09/66/323300966.db2.gz ZGDLVBWYVUFOSI-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H](C#N)C[N@H+](CCCC1CCCC1)C1CC1 ZINC000532817152 323300809 /nfs/dbraw/zinc/30/08/09/323300809.db2.gz ZGDLVBWYVUFOSI-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000533001726 387920784 /nfs/dbraw/zinc/92/07/84/387920784.db2.gz LOAJDMFJBLWPSE-CYBMUJFWSA-N 1 0 249.785 3.812 20 30 BHEDRO CCC[C@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000533001743 387919982 /nfs/dbraw/zinc/91/99/82/387919982.db2.gz LOAJDMFJBLWPSE-ZDUSSCGKSA-N 1 0 249.785 3.812 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1cccc(C)c1)C1CC1 ZINC000533037822 387924405 /nfs/dbraw/zinc/92/44/05/387924405.db2.gz COTWKUCQARKXNZ-KRWDZBQOSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1cccc(C)c1)C1CC1 ZINC000533037834 387925568 /nfs/dbraw/zinc/92/55/68/387925568.db2.gz COTWKUCQARKXNZ-QGZVFWFLSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(C1CC1)C1CC1)C1CC1 ZINC000533038226 323815674 /nfs/dbraw/zinc/81/56/74/323815674.db2.gz HPXYNWSFKZOTIO-INIZCTEOSA-N 1 0 233.399 3.757 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(C1CC1)C1CC1)C1CC1 ZINC000533038227 323815423 /nfs/dbraw/zinc/81/54/23/323815423.db2.gz HPXYNWSFKZOTIO-MRXNPFEDSA-N 1 0 233.399 3.757 20 30 BHEDRO CC#CC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000533070548 359702917 /nfs/dbraw/zinc/70/29/17/359702917.db2.gz XSFLVEDCDRUIMP-UHFFFAOYSA-N 1 0 247.341 3.712 20 30 BHEDRO C=C(C)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000533080820 398178504 /nfs/dbraw/zinc/17/85/04/398178504.db2.gz ISRXUZJXWLATJA-UHFFFAOYSA-N 1 0 245.341 3.881 20 30 BHEDRO C[C@@H]([N@H+](C)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000533249657 388724872 /nfs/dbraw/zinc/72/48/72/388724872.db2.gz LBZGPIURAKHXFR-LLVKDONJSA-N 1 0 248.345 3.564 20 30 BHEDRO C[C@H]([N@H+](C)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000533249658 388724834 /nfs/dbraw/zinc/72/48/34/388724834.db2.gz LBZGPIURAKHXFR-NSHDSACASA-N 1 0 248.345 3.564 20 30 BHEDRO Cc1cc(C)c([C@H](C)[N@@H+](C)C[C@H](C)C#N)c(C)c1 ZINC000533267167 388044420 /nfs/dbraw/zinc/04/44/20/388044420.db2.gz BRBANPRTMLUYTA-DOMZBBRYSA-N 1 0 244.382 3.764 20 30 BHEDRO Cc1cc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)C#N)c(C)c1 ZINC000533267168 388044364 /nfs/dbraw/zinc/04/43/64/388044364.db2.gz BRBANPRTMLUYTA-IUODEOHRSA-N 1 0 244.382 3.764 20 30 BHEDRO Cc1cc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)C#N)c(C)c1 ZINC000533267169 388044673 /nfs/dbraw/zinc/04/46/73/388044673.db2.gz BRBANPRTMLUYTA-SWLSCSKDSA-N 1 0 244.382 3.764 20 30 BHEDRO Cc1cc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)C#N)c(C)c1 ZINC000533267170 388045082 /nfs/dbraw/zinc/04/50/82/388045082.db2.gz BRBANPRTMLUYTA-WFASDCNBSA-N 1 0 244.382 3.764 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000533299408 388046549 /nfs/dbraw/zinc/04/65/49/388046549.db2.gz KQUQXYFDUXOSKJ-GFCCVEGCSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000533299409 388046414 /nfs/dbraw/zinc/04/64/14/388046414.db2.gz KQUQXYFDUXOSKJ-LBPRGKRZSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000533302283 388047621 /nfs/dbraw/zinc/04/76/21/388047621.db2.gz PKXDQTRNDONLTK-LLVKDONJSA-N 1 0 239.309 3.924 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000533302284 388048083 /nfs/dbraw/zinc/04/80/83/388048083.db2.gz PKXDQTRNDONLTK-NSHDSACASA-N 1 0 239.309 3.924 20 30 BHEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(C)C ZINC000533322820 359792139 /nfs/dbraw/zinc/79/21/39/359792139.db2.gz KTLHGJCPQMRHFH-AWEZNQCLSA-N 1 0 247.357 3.544 20 30 BHEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)C(C)C ZINC000533322821 359792083 /nfs/dbraw/zinc/79/20/83/359792083.db2.gz KTLHGJCPQMRHFH-CQSZACIVSA-N 1 0 247.357 3.544 20 30 BHEDRO CC#CC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000533350226 388056549 /nfs/dbraw/zinc/05/65/49/388056549.db2.gz JUMTUOMNDWQZPS-AWEZNQCLSA-N 1 0 233.330 3.526 20 30 BHEDRO CC#CC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000533350227 388056811 /nfs/dbraw/zinc/05/68/11/388056811.db2.gz JUMTUOMNDWQZPS-CQSZACIVSA-N 1 0 233.330 3.526 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000533437324 384319396 /nfs/dbraw/zinc/31/93/96/384319396.db2.gz GWUQGVPXPCKMBY-GFCCVEGCSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000533437325 384320383 /nfs/dbraw/zinc/32/03/83/384320383.db2.gz GWUQGVPXPCKMBY-LBPRGKRZSA-N 1 0 221.319 3.785 20 30 BHEDRO CC(C)C[N@H+](CC#Cc1ccc(F)cc1)C(C)C ZINC000533460362 384341461 /nfs/dbraw/zinc/34/14/61/384341461.db2.gz CDZQFHJDAXDFRC-UHFFFAOYSA-N 1 0 247.357 3.544 20 30 BHEDRO C[C@@H]([N@H+](C)CC#Cc1ccc(F)cc1)C(C)(C)C ZINC000533461329 342860844 /nfs/dbraw/zinc/86/08/44/342860844.db2.gz IIJXSKMFELEXSK-CYBMUJFWSA-N 1 0 247.357 3.544 20 30 BHEDRO C[C@H]([N@H+](C)CC#Cc1ccc(F)cc1)C(C)(C)C ZINC000533461330 342860721 /nfs/dbraw/zinc/86/07/21/342860721.db2.gz IIJXSKMFELEXSK-ZDUSSCGKSA-N 1 0 247.357 3.544 20 30 BHEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)CC(C)C ZINC000533462074 342861035 /nfs/dbraw/zinc/86/10/35/342861035.db2.gz PUBUPLFZVKUXAD-UHFFFAOYSA-N 1 0 247.357 3.545 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1cccc(F)c1)C1CC1 ZINC000533498426 342878950 /nfs/dbraw/zinc/87/89/50/342878950.db2.gz CVDKVFKMZBSMKT-INIZCTEOSA-N 1 0 247.357 3.703 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1cccc(F)c1)C1CC1 ZINC000533498427 342878906 /nfs/dbraw/zinc/87/89/06/342878906.db2.gz CVDKVFKMZBSMKT-MRXNPFEDSA-N 1 0 247.357 3.703 20 30 BHEDRO CC(C)(C#N)CC[N@H+](CC1CCCCC1)C1CC1 ZINC000534219332 323114630 /nfs/dbraw/zinc/11/46/30/323114630.db2.gz FSWNKXMDJMQQIR-UHFFFAOYSA-N 1 0 248.414 3.971 20 30 BHEDRO C=CCCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000534692094 323160093 /nfs/dbraw/zinc/16/00/93/323160093.db2.gz OTOGBQKLNVFTTF-UHFFFAOYSA-N 1 0 207.361 3.631 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(CC)s1 ZINC000535062960 323165133 /nfs/dbraw/zinc/16/51/33/323165133.db2.gz JSHRSSZMKSNFPA-UHFFFAOYSA-N 1 0 223.385 3.709 20 30 BHEDRO CC(C)[N@H+](CCC#N)CC1CCCCCC1 ZINC000535073372 323165406 /nfs/dbraw/zinc/16/54/06/323165406.db2.gz ILOZWZOSQJWRBI-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@@H](C[N@H+](CCC#N)C(C)C)c1ccccc1 ZINC000535077191 323165640 /nfs/dbraw/zinc/16/56/40/323165640.db2.gz FJSQLOSHAQVTCY-HNNXBMFYSA-N 1 0 244.382 3.804 20 30 BHEDRO CC[C@H](C[N@H+](CCC#N)C(C)C)c1ccccc1 ZINC000535077195 323165732 /nfs/dbraw/zinc/16/57/32/323165732.db2.gz FJSQLOSHAQVTCY-OAHLLOKOSA-N 1 0 244.382 3.804 20 30 BHEDRO CCC(CC)[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000535080833 323165911 /nfs/dbraw/zinc/16/59/11/323165911.db2.gz DOWLJYPHISJGOM-UHFFFAOYSA-N 1 0 248.395 3.773 20 30 BHEDRO C=CCCC[N@@H+]1CCCC12CCCCC2 ZINC000535380653 323171973 /nfs/dbraw/zinc/17/19/73/323171973.db2.gz ABBVGNAWWNTPEP-UHFFFAOYSA-N 1 0 207.361 3.751 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C1CCCC1 ZINC000535665395 355551754 /nfs/dbraw/zinc/55/17/54/355551754.db2.gz HPTHVKXWTDZIGD-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CC[N@@H+](Cc1ccccc1F)C1CCCC1 ZINC000535666321 355552846 /nfs/dbraw/zinc/55/28/46/355552846.db2.gz RZZASOALXSCZFK-UHFFFAOYSA-N 1 0 233.330 3.756 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000535681955 323188513 /nfs/dbraw/zinc/18/85/13/323188513.db2.gz VUWZPGPBNWTAGL-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CCCC(C)(C)C1 ZINC000535787416 323191609 /nfs/dbraw/zinc/19/16/09/323191609.db2.gz SIKSAUGNHKERRH-KBPBESRZSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCCC(C)(C)C1 ZINC000535787434 323191558 /nfs/dbraw/zinc/19/15/58/323191558.db2.gz SIKSAUGNHKERRH-KGLIPLIRSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CCCC(C)(C)C1 ZINC000535787435 323191494 /nfs/dbraw/zinc/19/14/94/323191494.db2.gz SIKSAUGNHKERRH-UONOGXRCSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCCC(C)(C)C1 ZINC000535787436 323191475 /nfs/dbraw/zinc/19/14/75/323191475.db2.gz SIKSAUGNHKERRH-ZIAGYGMSSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CC[N@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000535792176 323191581 /nfs/dbraw/zinc/19/15/81/323191581.db2.gz NUXYRBUFALHQKA-UHFFFAOYSA-N 1 0 227.351 3.579 20 30 BHEDRO CC(C)(C)C1=CC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000535809949 323192427 /nfs/dbraw/zinc/19/24/27/323192427.db2.gz ROSBILABWZFCFK-UHFFFAOYSA-N 1 0 248.414 3.995 20 30 BHEDRO C=CCOc1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000535820364 323192274 /nfs/dbraw/zinc/19/22/74/323192274.db2.gz SBHSKVDKOJJYHP-KBPBESRZSA-N 1 0 245.366 3.624 20 30 BHEDRO C=CCOc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000535820365 323192434 /nfs/dbraw/zinc/19/24/34/323192434.db2.gz SBHSKVDKOJJYHP-OKILXGFUSA-N 1 0 245.366 3.624 20 30 BHEDRO C=CCOc1ccc(C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000535820366 323192409 /nfs/dbraw/zinc/19/24/09/323192409.db2.gz SBHSKVDKOJJYHP-ZIAGYGMSSA-N 1 0 245.366 3.624 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CCCCC#N)C[C@H]1C ZINC000536302369 384285027 /nfs/dbraw/zinc/28/50/27/384285027.db2.gz MEBSUXOSTRIVKH-ILXRZTDVSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CCCCC#N)C[C@H]1C ZINC000536302373 322909702 /nfs/dbraw/zinc/90/97/02/322909702.db2.gz MEBSUXOSTRIVKH-KFWWJZLASA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CCCCC#N)C[C@@H]1C ZINC000536302374 322909713 /nfs/dbraw/zinc/90/97/13/322909713.db2.gz MEBSUXOSTRIVKH-KKUMJFAQSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CCCCC#N)C[C@@H]1C ZINC000536302375 322909705 /nfs/dbraw/zinc/90/97/05/322909705.db2.gz MEBSUXOSTRIVKH-ZNMIVQPWSA-N 1 0 236.403 3.731 20 30 BHEDRO CC1CCC([N@H+](CCC(C)(C)C#N)C2CC2)CC1 ZINC000536472210 384859933 /nfs/dbraw/zinc/85/99/33/384859933.db2.gz QSDIRVFOVAKKBN-UHFFFAOYSA-N 1 0 248.414 3.969 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1)C1CCCC1 ZINC000536473210 384860684 /nfs/dbraw/zinc/86/06/84/384860684.db2.gz YUGHABVTAXBBAW-UHFFFAOYSA-N 1 0 215.340 3.617 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccnc2ccccc12 ZINC000536622847 323198706 /nfs/dbraw/zinc/19/87/06/323198706.db2.gz DLXSAOCISQMLDA-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccc(OC(C)C)cc1 ZINC000536622904 323198747 /nfs/dbraw/zinc/19/87/47/323198747.db2.gz YKXDQHOCKJYMKC-UHFFFAOYSA-N 1 0 245.366 3.648 20 30 BHEDRO CC(C)[N@H+](CCC#N)C[C@H]1CCCC(C)(C)C1 ZINC000536639845 323199110 /nfs/dbraw/zinc/19/91/10/323199110.db2.gz SODZTLVFXRIIGG-AWEZNQCLSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)[N@H+](CCC#N)C[C@@H]1CCCC(C)(C)C1 ZINC000536639846 323199336 /nfs/dbraw/zinc/19/93/36/323199336.db2.gz SODZTLVFXRIIGG-CQSZACIVSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC(CC)[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000536650204 323199546 /nfs/dbraw/zinc/19/95/46/323199546.db2.gz QHYKLFCMPPVHMB-UHFFFAOYSA-N 1 0 248.395 3.773 20 30 BHEDRO C[C@@H]([N@H+](C)CC(C)(C)CCC#N)C(C)(C)C ZINC000536655623 323199912 /nfs/dbraw/zinc/19/99/12/323199912.db2.gz MLIGUSPFOBAIBQ-GFCCVEGCSA-N 1 0 224.392 3.683 20 30 BHEDRO C[C@H]([N@H+](C)CC(C)(C)CCC#N)C(C)(C)C ZINC000536655624 323200063 /nfs/dbraw/zinc/20/00/63/323200063.db2.gz MLIGUSPFOBAIBQ-LBPRGKRZSA-N 1 0 224.392 3.683 20 30 BHEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000536660293 323199749 /nfs/dbraw/zinc/19/97/49/323199749.db2.gz DNFUAMSOAOILHH-DOMZBBRYSA-N 1 0 246.354 3.552 20 30 BHEDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000536660294 323199816 /nfs/dbraw/zinc/19/98/16/323199816.db2.gz DNFUAMSOAOILHH-IUODEOHRSA-N 1 0 246.354 3.552 20 30 BHEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000536660295 323199715 /nfs/dbraw/zinc/19/97/15/323199715.db2.gz DNFUAMSOAOILHH-SWLSCSKDSA-N 1 0 246.354 3.552 20 30 BHEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000536660296 323199712 /nfs/dbraw/zinc/19/97/12/323199712.db2.gz DNFUAMSOAOILHH-WFASDCNBSA-N 1 0 246.354 3.552 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C)o1 ZINC000536668953 323200260 /nfs/dbraw/zinc/20/02/60/323200260.db2.gz UDVSHFGJCZOFJV-UHFFFAOYSA-N 1 0 221.344 3.766 20 30 BHEDRO C=CC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000536671255 323200578 /nfs/dbraw/zinc/20/05/78/323200578.db2.gz BSLNEYWEAUEJPL-RMKNXTFCSA-N 1 0 227.351 3.598 20 30 BHEDRO C=CC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000536671256 323200482 /nfs/dbraw/zinc/20/04/82/323200482.db2.gz BSLNEYWEAUEJPL-TWGQIWQCSA-N 1 0 227.351 3.598 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000536671892 323200484 /nfs/dbraw/zinc/20/04/84/323200484.db2.gz SWQMOBOGNAVVTJ-UHFFFAOYSA-N 1 0 247.407 3.807 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000536672210 323200589 /nfs/dbraw/zinc/20/05/89/323200589.db2.gz OGBRVFWXMITJNA-UHFFFAOYSA-N 1 0 235.396 3.709 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000536673337 323200603 /nfs/dbraw/zinc/20/06/03/323200603.db2.gz BOAPEMUNBRYFDT-UHFFFAOYSA-N 1 0 233.330 3.532 20 30 BHEDRO C=CC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000536673549 323200735 /nfs/dbraw/zinc/20/07/35/323200735.db2.gz KSULHBQNOIGHBN-ARJAWSKDSA-N 1 0 245.341 3.737 20 30 BHEDRO C=CC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000536673550 323200655 /nfs/dbraw/zinc/20/06/55/323200655.db2.gz KSULHBQNOIGHBN-ONEGZZNKSA-N 1 0 245.341 3.737 20 30 BHEDRO C=CCCC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000536678394 323200672 /nfs/dbraw/zinc/20/06/72/323200672.db2.gz WLQNZNLHCQSIOX-FYWRMAATSA-N 1 0 229.367 3.988 20 30 BHEDRO C=CCCC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000536678395 323200681 /nfs/dbraw/zinc/20/06/81/323200681.db2.gz WLQNZNLHCQSIOX-SQFISAMPSA-N 1 0 229.367 3.988 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000536679686 323200619 /nfs/dbraw/zinc/20/06/19/323200619.db2.gz JEPBZWJCONHGAQ-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000536679716 323200697 /nfs/dbraw/zinc/20/06/97/323200697.db2.gz KBHQNEMMNVDCQJ-CVEARBPZSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000536679717 323200666 /nfs/dbraw/zinc/20/06/66/323200666.db2.gz KBHQNEMMNVDCQJ-HZPDHXFCSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000536679718 323200759 /nfs/dbraw/zinc/20/07/59/323200759.db2.gz KBHQNEMMNVDCQJ-JKSUJKDBSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000536680044 323200863 /nfs/dbraw/zinc/20/08/63/323200863.db2.gz YMJTYWKBFANKPF-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(SC)cc1 ZINC000536680728 323200938 /nfs/dbraw/zinc/20/09/38/323200938.db2.gz BGLXULIQHCWAOT-UHFFFAOYSA-N 1 0 235.396 3.807 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(OCC=C)cc1 ZINC000536681623 323200776 /nfs/dbraw/zinc/20/07/76/323200776.db2.gz NLMPBMFLKZQLGX-UHFFFAOYSA-N 1 0 245.366 3.649 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(C)ccc1F ZINC000536681705 323200909 /nfs/dbraw/zinc/20/09/09/323200909.db2.gz SDNRRBWKXLWKLB-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=CC[N@@H+](Cc1cccc(OC(C)C)c1)C1CC1 ZINC000536742733 323202774 /nfs/dbraw/zinc/20/27/74/323202774.db2.gz XUMMZPLCPRLNNX-UHFFFAOYSA-N 1 0 245.366 3.624 20 30 BHEDRO C=CC[N@@H+](CCCc1ccccc1C)C1CC1 ZINC000536744125 323202838 /nfs/dbraw/zinc/20/28/38/323202838.db2.gz MKJHXOPQZULUPK-UHFFFAOYSA-N 1 0 229.367 3.578 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000536819608 387304559 /nfs/dbraw/zinc/30/45/59/387304559.db2.gz FQDJDOIBJNCJGF-KKUMJFAQSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000536819620 323585942 /nfs/dbraw/zinc/58/59/42/323585942.db2.gz FQDJDOIBJNCJGF-RRFJBIMHSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000536819623 387304164 /nfs/dbraw/zinc/30/41/64/387304164.db2.gz FQDJDOIBJNCJGF-SOUVJXGZSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000536819625 323585738 /nfs/dbraw/zinc/58/57/38/323585738.db2.gz FQDJDOIBJNCJGF-ZNMIVQPWSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000536839594 387528933 /nfs/dbraw/zinc/52/89/33/387528933.db2.gz NSTUHRXBXXOKAU-CVEARBPZSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000536839606 387528948 /nfs/dbraw/zinc/52/89/48/387528948.db2.gz NSTUHRXBXXOKAU-HOTGVXAUSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000536839608 323663334 /nfs/dbraw/zinc/66/33/34/323663334.db2.gz NSTUHRXBXXOKAU-HZPDHXFCSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000536839609 323663238 /nfs/dbraw/zinc/66/32/38/323663238.db2.gz NSTUHRXBXXOKAU-JKSUJKDBSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000536848836 387579581 /nfs/dbraw/zinc/57/95/81/387579581.db2.gz WHJKAKSJCBQHOY-CHWSQXEVSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000536848853 387579627 /nfs/dbraw/zinc/57/96/27/387579627.db2.gz WHJKAKSJCBQHOY-OLZOCXBDSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC1 ZINC000536848855 387579555 /nfs/dbraw/zinc/57/95/55/387579555.db2.gz WHJKAKSJCBQHOY-QWHCGFSZSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC1 ZINC000536848859 387579433 /nfs/dbraw/zinc/57/94/33/387579433.db2.gz WHJKAKSJCBQHOY-STQMWFEESA-N 1 0 243.341 3.899 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000536880337 388054355 /nfs/dbraw/zinc/05/43/55/388054355.db2.gz BKALLNOVNYNVOU-AWEZNQCLSA-N 1 0 217.356 3.954 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000536880369 388054081 /nfs/dbraw/zinc/05/40/81/388054081.db2.gz BKALLNOVNYNVOU-CQSZACIVSA-N 1 0 217.356 3.954 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000536881196 388070104 /nfs/dbraw/zinc/07/01/04/388070104.db2.gz IXXCETYWCYEMCA-CYBMUJFWSA-N 1 0 203.329 3.646 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000536881205 388070773 /nfs/dbraw/zinc/07/07/73/388070773.db2.gz IXXCETYWCYEMCA-ZDUSSCGKSA-N 1 0 203.329 3.646 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000536882039 388070393 /nfs/dbraw/zinc/07/03/93/388070393.db2.gz QOTPGIQZLMPIHZ-HNNXBMFYSA-N 1 0 215.340 3.790 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000536882053 388069406 /nfs/dbraw/zinc/06/94/06/388069406.db2.gz QOTPGIQZLMPIHZ-OAHLLOKOSA-N 1 0 215.340 3.790 20 30 BHEDRO C=C(CC)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000536882184 388070487 /nfs/dbraw/zinc/07/04/87/388070487.db2.gz UFQGYRAPMDAXSL-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000536882835 388072335 /nfs/dbraw/zinc/07/23/35/388072335.db2.gz XJZJRHCGFXWOOK-CYBMUJFWSA-N 1 0 233.355 3.654 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000536882840 388071897 /nfs/dbraw/zinc/07/18/97/388071897.db2.gz XJZJRHCGFXWOOK-ZDUSSCGKSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CC[N@@H+](CC(=C)CC)Cc1ccccc1 ZINC000536882960 388072376 /nfs/dbraw/zinc/07/23/76/388072376.db2.gz YYPSCJJTHVRDFK-UHFFFAOYSA-N 1 0 215.340 3.641 20 30 BHEDRO C=C(CC)C[NH+]1CCC(c2ccccc2)CC1 ZINC000536882977 388072421 /nfs/dbraw/zinc/07/24/21/388072421.db2.gz ZTCJAVGAXAJJMJ-UHFFFAOYSA-N 1 0 229.367 3.832 20 30 BHEDRO C=C(CC)C[N@H+](Cc1cccs1)C(C)C ZINC000536888959 388081762 /nfs/dbraw/zinc/08/17/62/388081762.db2.gz FAMKODBNJRNXFJ-UHFFFAOYSA-N 1 0 223.385 3.925 20 30 BHEDRO C=C(CC)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000536890107 388081168 /nfs/dbraw/zinc/08/11/68/388081168.db2.gz NBHMGVGNPFEQEN-UHFFFAOYSA-N 1 0 245.366 3.538 20 30 BHEDRO C=C(CC)C[N@H+](Cc1ccccc1)C1CC1 ZINC000536891771 388081379 /nfs/dbraw/zinc/08/13/79/388081379.db2.gz UFAMFDNQRRPAQS-UHFFFAOYSA-N 1 0 215.340 3.617 20 30 BHEDRO C=C(CC)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000536891843 388081422 /nfs/dbraw/zinc/08/14/22/388081422.db2.gz YKLLRBDHONDJRO-HNNXBMFYSA-N 1 0 247.407 3.743 20 30 BHEDRO C=C(CC)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000536891844 388081660 /nfs/dbraw/zinc/08/16/60/388081660.db2.gz YKLLRBDHONDJRO-OAHLLOKOSA-N 1 0 247.407 3.743 20 30 BHEDRO C=C(CC)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000536894422 388080040 /nfs/dbraw/zinc/08/00/40/388080040.db2.gz VCJIBFFXDAHJDU-HZSPNIEDSA-N 1 0 207.361 3.606 20 30 BHEDRO C=C(CC)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000536894428 388080132 /nfs/dbraw/zinc/08/01/32/388080132.db2.gz VCJIBFFXDAHJDU-MCIONIFRSA-N 1 0 207.361 3.606 20 30 BHEDRO C=C(CC)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000536894429 388080636 /nfs/dbraw/zinc/08/06/36/388080636.db2.gz VCJIBFFXDAHJDU-MGPQQGTHSA-N 1 0 207.361 3.606 20 30 BHEDRO C=C(CC)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000536894431 388080328 /nfs/dbraw/zinc/08/03/28/388080328.db2.gz VCJIBFFXDAHJDU-RDBSUJKOSA-N 1 0 207.361 3.606 20 30 BHEDRO C=C(CC)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000536904468 388082463 /nfs/dbraw/zinc/08/24/63/388082463.db2.gz LFOOGNDBHSUNQU-UHFFFAOYSA-N 1 0 233.355 3.990 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000536905686 388081971 /nfs/dbraw/zinc/08/19/71/388081971.db2.gz VCWJPKYBASIJOG-GFCCVEGCSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000536905692 388081922 /nfs/dbraw/zinc/08/19/22/388081922.db2.gz VCWJPKYBASIJOG-LBPRGKRZSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(CC)C[NH2+][C@H](c1ncccc1C)C(C)C ZINC000536906960 388082433 /nfs/dbraw/zinc/08/24/33/388082433.db2.gz YVJGINOUYRNFDY-AWEZNQCLSA-N 1 0 232.371 3.643 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000536906964 388082030 /nfs/dbraw/zinc/08/20/30/388082030.db2.gz YVJGINOUYRNFDY-CQSZACIVSA-N 1 0 232.371 3.643 20 30 BHEDRO C=C(CC)C[N@H+](C)CCCc1ccccc1 ZINC000536933951 388095451 /nfs/dbraw/zinc/09/54/51/388095451.db2.gz SVQSDXMNJYEEQQ-UHFFFAOYSA-N 1 0 217.356 3.517 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000536994556 387135913 /nfs/dbraw/zinc/13/59/13/387135913.db2.gz FLQGUTSCMBXLBF-GFCCVEGCSA-N 1 0 235.396 3.851 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000536994557 387136861 /nfs/dbraw/zinc/13/68/61/387136861.db2.gz FLQGUTSCMBXLBF-LBPRGKRZSA-N 1 0 235.396 3.851 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000536995275 387135693 /nfs/dbraw/zinc/13/56/93/387135693.db2.gz ZMXYKVPGBYDUGI-AWEZNQCLSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000536995276 387135659 /nfs/dbraw/zinc/13/56/59/387135659.db2.gz ZMXYKVPGBYDUGI-CQSZACIVSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000537014215 387146367 /nfs/dbraw/zinc/14/63/67/387146367.db2.gz GQGWJTIUEWNLOF-BBRMVZONSA-N 1 0 247.382 3.947 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000537014216 387147353 /nfs/dbraw/zinc/14/73/53/387147353.db2.gz GQGWJTIUEWNLOF-CJNGLKHVSA-N 1 0 247.382 3.947 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000537014217 387147215 /nfs/dbraw/zinc/14/72/15/387147215.db2.gz GQGWJTIUEWNLOF-CZUORRHYSA-N 1 0 247.382 3.947 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000537014218 387146173 /nfs/dbraw/zinc/14/61/73/387146173.db2.gz GQGWJTIUEWNLOF-XJKSGUPXSA-N 1 0 247.382 3.947 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000537017579 387152384 /nfs/dbraw/zinc/15/23/84/387152384.db2.gz DXUSEYZZTYHCLK-GFCCVEGCSA-N 1 0 235.396 3.851 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000537017580 387152244 /nfs/dbraw/zinc/15/22/44/387152244.db2.gz DXUSEYZZTYHCLK-LBPRGKRZSA-N 1 0 235.396 3.851 20 30 BHEDRO C=C(C)C[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000537021808 323978890 /nfs/dbraw/zinc/97/88/90/323978890.db2.gz MWSDXUBANDTPSK-CYBMUJFWSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C(C)C[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000537021809 387176235 /nfs/dbraw/zinc/17/62/35/387176235.db2.gz MWSDXUBANDTPSK-ZDUSSCGKSA-N 1 0 233.355 3.701 20 30 BHEDRO C=C(CC)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000537040310 411267585 /nfs/dbraw/zinc/26/75/85/411267585.db2.gz RWHQIKRRQZSCBY-INIZCTEOSA-N 1 0 247.382 3.948 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000537040311 411267402 /nfs/dbraw/zinc/26/74/02/411267402.db2.gz RWHQIKRRQZSCBY-MRXNPFEDSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CC[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000537125148 324013571 /nfs/dbraw/zinc/01/35/71/324013571.db2.gz ZDRXLPJFTIBXEU-HNNXBMFYSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CC[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000537125149 324013707 /nfs/dbraw/zinc/01/37/07/324013707.db2.gz ZDRXLPJFTIBXEU-OAHLLOKOSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CCCC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000537136347 324016408 /nfs/dbraw/zinc/01/64/08/324016408.db2.gz ZTIGYCIXZJBLAP-UHFFFAOYSA-N 1 0 239.309 3.756 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000537176525 324025739 /nfs/dbraw/zinc/02/57/39/324025739.db2.gz LRSMLZXKYVZDJW-HNNXBMFYSA-N 1 0 247.382 3.948 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000537176526 324026200 /nfs/dbraw/zinc/02/62/00/324026200.db2.gz LRSMLZXKYVZDJW-OAHLLOKOSA-N 1 0 247.382 3.948 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CC)C(C)(C)c1ccccc1 ZINC000537219111 324056793 /nfs/dbraw/zinc/05/67/93/324056793.db2.gz HPHNIHRSNODYNV-HNNXBMFYSA-N 1 0 231.383 3.909 20 30 BHEDRO C=C(C)C[NH2+][C@H](CC)C(C)(C)c1ccccc1 ZINC000537219134 324056589 /nfs/dbraw/zinc/05/65/89/324056589.db2.gz HPHNIHRSNODYNV-OAHLLOKOSA-N 1 0 231.383 3.909 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)C(C)(C)c1ccccc1 ZINC000537224042 324059941 /nfs/dbraw/zinc/05/99/41/324059941.db2.gz JMEKKGCAPYOPGI-HNNXBMFYSA-N 1 0 231.383 3.909 20 30 BHEDRO C=CCC[NH2+][C@H](CC)C(C)(C)c1ccccc1 ZINC000537224044 324060221 /nfs/dbraw/zinc/06/02/21/324060221.db2.gz JMEKKGCAPYOPGI-OAHLLOKOSA-N 1 0 231.383 3.909 20 30 BHEDRO CC(C)(C)C[NH+](CC(C)(C)C)CC1(C#N)CC1 ZINC000537288228 324062688 /nfs/dbraw/zinc/06/26/88/324062688.db2.gz NTQIRKHMSQSYOT-UHFFFAOYSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)C1CCOCC1 ZINC000537309416 324064014 /nfs/dbraw/zinc/06/40/14/324064014.db2.gz XQYRWYQQENCFHB-DZGCQCFKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000537309417 324064099 /nfs/dbraw/zinc/06/40/99/324064099.db2.gz XQYRWYQQENCFHB-HIFRSBDPSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](CC)C1CCOCC1 ZINC000537309418 324063926 /nfs/dbraw/zinc/06/39/26/324063926.db2.gz XQYRWYQQENCFHB-UKRRQHHQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000537309419 324063930 /nfs/dbraw/zinc/06/39/30/324063930.db2.gz XQYRWYQQENCFHB-ZFWWWQNUSA-N 1 0 239.403 3.526 20 30 BHEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000537362184 324067366 /nfs/dbraw/zinc/06/73/66/324067366.db2.gz CVCAKPQLRKMFLQ-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000537362188 324067977 /nfs/dbraw/zinc/06/79/77/324067977.db2.gz CVCAKPQLRKMFLQ-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)[N@H+](CCC(C)(C)C#N)C1CCCCC1 ZINC000537363452 324067781 /nfs/dbraw/zinc/06/77/81/324067781.db2.gz JPEXVZKAHWGEGL-UHFFFAOYSA-N 1 0 236.403 3.969 20 30 BHEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@@H]12 ZINC000537364535 324067390 /nfs/dbraw/zinc/06/73/90/324067390.db2.gz WMIQGLDNGCOZBI-ILXRZTDVSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000537364543 324067524 /nfs/dbraw/zinc/06/75/24/324067524.db2.gz WMIQGLDNGCOZBI-KFWWJZLASA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@@H]12 ZINC000537364546 324067315 /nfs/dbraw/zinc/06/73/15/324067315.db2.gz WMIQGLDNGCOZBI-QLFBSQMISA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@H]12 ZINC000537364547 324067708 /nfs/dbraw/zinc/06/77/08/324067708.db2.gz WMIQGLDNGCOZBI-RBSFLKMASA-N 1 0 248.414 3.827 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000537365110 324067824 /nfs/dbraw/zinc/06/78/24/324067824.db2.gz CXNWQGZJTDPXNM-CHWSQXEVSA-N 1 0 236.403 3.825 20 30 BHEDRO CC[C@@H](C)[C@H](C)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000537365111 324067624 /nfs/dbraw/zinc/06/76/24/324067624.db2.gz CXNWQGZJTDPXNM-OLZOCXBDSA-N 1 0 236.403 3.825 20 30 BHEDRO CC[C@H](C)[C@@H](C)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000537365112 324067374 /nfs/dbraw/zinc/06/73/74/324067374.db2.gz CXNWQGZJTDPXNM-QWHCGFSZSA-N 1 0 236.403 3.825 20 30 BHEDRO CC[C@H](C)[C@H](C)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000537365113 324067966 /nfs/dbraw/zinc/06/79/66/324067966.db2.gz CXNWQGZJTDPXNM-STQMWFEESA-N 1 0 236.403 3.825 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000537366354 324067657 /nfs/dbraw/zinc/06/76/57/324067657.db2.gz OTPCCZVPVCIPMV-HNNXBMFYSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000537366355 324067600 /nfs/dbraw/zinc/06/76/00/324067600.db2.gz OTPCCZVPVCIPMV-OAHLLOKOSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000537368682 324067560 /nfs/dbraw/zinc/06/75/60/324067560.db2.gz MXPJDEIMMMQOOM-AWEZNQCLSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)C[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000537368687 324067578 /nfs/dbraw/zinc/06/75/78/324067578.db2.gz MXPJDEIMMMQOOM-CQSZACIVSA-N 1 0 236.403 3.684 20 30 BHEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000537386509 324069564 /nfs/dbraw/zinc/06/95/64/324069564.db2.gz VXPIOGQWSAARFL-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000537386510 324069448 /nfs/dbraw/zinc/06/94/48/324069448.db2.gz VXPIOGQWSAARFL-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000537386511 324069359 /nfs/dbraw/zinc/06/93/59/324069359.db2.gz VXPIOGQWSAARFL-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000537386513 324069849 /nfs/dbraw/zinc/06/98/49/324069849.db2.gz VXPIOGQWSAARFL-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(C#N)c(F)c1 ZINC000537405765 324068471 /nfs/dbraw/zinc/06/84/71/324068471.db2.gz TXQWOIQCNVIVPG-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H]([NH2+]CCCC1CC1)c1ccc(C#N)c(F)c1 ZINC000537405768 324068861 /nfs/dbraw/zinc/06/88/61/324068861.db2.gz TXQWOIQCNVIVPG-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO CC(C)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000537405841 324068881 /nfs/dbraw/zinc/06/88/81/324068881.db2.gz YNZYLZQMDQFNOL-GFCCVEGCSA-N 1 0 248.345 3.784 20 30 BHEDRO CC(C)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537405842 324068865 /nfs/dbraw/zinc/06/88/65/324068865.db2.gz YNZYLZQMDQFNOL-LBPRGKRZSA-N 1 0 248.345 3.784 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000537421938 324070819 /nfs/dbraw/zinc/07/08/19/324070819.db2.gz DKNQDBXCXGMHQE-KBPBESRZSA-N 1 0 229.367 3.866 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000537421982 324070719 /nfs/dbraw/zinc/07/07/19/324070719.db2.gz DKNQDBXCXGMHQE-KGLIPLIRSA-N 1 0 229.367 3.866 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000537421983 324070834 /nfs/dbraw/zinc/07/08/34/324070834.db2.gz DKNQDBXCXGMHQE-UONOGXRCSA-N 1 0 229.367 3.866 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000537421984 324070778 /nfs/dbraw/zinc/07/07/78/324070778.db2.gz DKNQDBXCXGMHQE-ZIAGYGMSSA-N 1 0 229.367 3.866 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537529038 324077587 /nfs/dbraw/zinc/07/75/87/324077587.db2.gz SUQUTNIXMXICQE-UHFFFAOYSA-N 1 0 243.272 3.502 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000537627282 387251328 /nfs/dbraw/zinc/25/13/28/387251328.db2.gz RXJYQDXQTMZDDY-UHFFFAOYSA-N 1 0 233.330 3.532 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000537627344 387251247 /nfs/dbraw/zinc/25/12/47/387251247.db2.gz PNQYIPJJIFLBIU-UHFFFAOYSA-N 1 0 233.330 3.532 20 30 BHEDRO C=CCCC[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000537633896 324091374 /nfs/dbraw/zinc/09/13/74/324091374.db2.gz QEEBUGOKOWNVLX-SREVYHEPSA-N 1 0 233.330 3.737 20 30 BHEDRO C=CCCC[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000537633897 324091177 /nfs/dbraw/zinc/09/11/77/324091177.db2.gz QEEBUGOKOWNVLX-VOTSOKGWSA-N 1 0 233.330 3.737 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cccc(Cl)c1F ZINC000537634677 324091716 /nfs/dbraw/zinc/09/17/16/324091716.db2.gz QKGCOLIOOISBBM-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccccc1OCC=C ZINC000537635248 324091477 /nfs/dbraw/zinc/09/14/77/324091477.db2.gz HSPWECOKINTYPP-UHFFFAOYSA-N 1 0 245.366 3.649 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000537635395 324091743 /nfs/dbraw/zinc/09/17/43/324091743.db2.gz QRSFSQDIYCVLID-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO C=CC[N@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000537852991 324108852 /nfs/dbraw/zinc/10/88/52/324108852.db2.gz CANVQDAIHDJMQP-UHFFFAOYSA-N 1 0 227.351 3.524 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](CC)C1CCCCC1 ZINC000537952030 343072073 /nfs/dbraw/zinc/07/20/73/343072073.db2.gz NODMTBFTJIMHKB-HNNXBMFYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCOCC[NH2+][C@H](CC)C1CCCCC1 ZINC000537952031 343072306 /nfs/dbraw/zinc/07/23/06/343072306.db2.gz NODMTBFTJIMHKB-OAHLLOKOSA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)COCC[NH2+]C1CCC(C)(CC)CC1 ZINC000537957936 322946348 /nfs/dbraw/zinc/94/63/48/322946348.db2.gz ACQNMMOSZTUBKJ-UHFFFAOYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCc1ccc(O)cc1 ZINC000537964828 324600165 /nfs/dbraw/zinc/60/01/65/324600165.db2.gz GLKYRYPQPOSGQS-HNNXBMFYSA-N 1 0 247.382 3.659 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCc1ccc(O)cc1 ZINC000537964829 324599825 /nfs/dbraw/zinc/59/98/25/324599825.db2.gz GLKYRYPQPOSGQS-OAHLLOKOSA-N 1 0 247.382 3.659 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000537969825 388657073 /nfs/dbraw/zinc/65/70/73/388657073.db2.gz UCCVJBWILGUJSS-KBPBESRZSA-N 1 0 231.383 3.907 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000537969826 324598800 /nfs/dbraw/zinc/59/88/00/324598800.db2.gz UCCVJBWILGUJSS-KGLIPLIRSA-N 1 0 231.383 3.907 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000537969827 324598829 /nfs/dbraw/zinc/59/88/29/324598829.db2.gz UCCVJBWILGUJSS-UONOGXRCSA-N 1 0 231.383 3.907 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000537969828 324599081 /nfs/dbraw/zinc/59/90/81/324599081.db2.gz UCCVJBWILGUJSS-ZIAGYGMSSA-N 1 0 231.383 3.907 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000537992769 388674102 /nfs/dbraw/zinc/67/41/02/388674102.db2.gz BSSCJTXBNJZNBS-GFCCVEGCSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000537992779 388674232 /nfs/dbraw/zinc/67/42/32/388674232.db2.gz BSSCJTXBNJZNBS-LBPRGKRZSA-N 1 0 221.319 3.785 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000537992848 388674779 /nfs/dbraw/zinc/67/47/79/388674779.db2.gz DZOLNEWYLUMXGR-HNNXBMFYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000537992852 388674632 /nfs/dbraw/zinc/67/46/32/388674632.db2.gz DZOLNEWYLUMXGR-OAHLLOKOSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000537993001 388674390 /nfs/dbraw/zinc/67/43/90/388674390.db2.gz HDOISQQGXMYNBN-HNNXBMFYSA-N 1 0 233.330 3.929 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000537993002 388674475 /nfs/dbraw/zinc/67/44/75/388674475.db2.gz HDOISQQGXMYNBN-OAHLLOKOSA-N 1 0 233.330 3.929 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000537993008 388674321 /nfs/dbraw/zinc/67/43/21/388674321.db2.gz FJSSRAKNCHYFTJ-GFCCVEGCSA-N 1 0 221.369 3.851 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000537993019 388674750 /nfs/dbraw/zinc/67/47/50/388674750.db2.gz FJSSRAKNCHYFTJ-LBPRGKRZSA-N 1 0 221.369 3.851 20 30 BHEDRO C=C(CC)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000537993294 388674669 /nfs/dbraw/zinc/67/46/69/388674669.db2.gz QWVVNHUYAGNNEY-UHFFFAOYSA-N 1 0 233.330 3.756 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000537993724 388674415 /nfs/dbraw/zinc/67/44/15/388674415.db2.gz RHTARNAVRGTXSN-INIZCTEOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000537993727 388674613 /nfs/dbraw/zinc/67/46/13/388674613.db2.gz RHTARNAVRGTXSN-MRXNPFEDSA-N 1 0 245.366 3.798 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1ccccc1Cl ZINC000537993938 388674295 /nfs/dbraw/zinc/67/42/95/388674295.db2.gz TUJXAVCZAFAJMG-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000538001307 388675812 /nfs/dbraw/zinc/67/58/12/388675812.db2.gz VVOVXLHOXDCSEZ-HNNXBMFYSA-N 1 0 245.366 3.798 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000538001309 388675442 /nfs/dbraw/zinc/67/54/42/388675442.db2.gz VVOVXLHOXDCSEZ-OAHLLOKOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=C(CC)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000538001534 388675369 /nfs/dbraw/zinc/67/53/69/388675369.db2.gz BLPUSGKIKIHIAG-UHFFFAOYSA-N 1 0 242.366 3.735 20 30 BHEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000538001724 388675460 /nfs/dbraw/zinc/67/54/60/388675460.db2.gz FNPXCQGWOBWNFV-HNNXBMFYSA-N 1 0 232.371 3.518 20 30 BHEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000538001737 388676009 /nfs/dbraw/zinc/67/60/09/388676009.db2.gz FNPXCQGWOBWNFV-OAHLLOKOSA-N 1 0 232.371 3.518 20 30 BHEDRO C=C(CC)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000538002538 384281361 /nfs/dbraw/zinc/28/13/61/384281361.db2.gz OIXNDPMQCWNMRS-DZGCQCFKSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(CC)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000538002541 384280190 /nfs/dbraw/zinc/28/01/90/384280190.db2.gz OIXNDPMQCWNMRS-HIFRSBDPSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(CC)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000538002543 384280961 /nfs/dbraw/zinc/28/09/61/384280961.db2.gz OIXNDPMQCWNMRS-UKRRQHHQSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(CC)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000538002548 384280491 /nfs/dbraw/zinc/28/04/91/384280491.db2.gz OIXNDPMQCWNMRS-ZFWWWQNUSA-N 1 0 215.340 3.646 20 30 BHEDRO C=C(CC)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000538002716 388675801 /nfs/dbraw/zinc/67/58/01/388675801.db2.gz QVKZEFKNZRGGJM-AWEZNQCLSA-N 1 0 242.366 3.907 20 30 BHEDRO C=C(CC)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000538002721 388675843 /nfs/dbraw/zinc/67/58/43/388675843.db2.gz QVKZEFKNZRGGJM-CQSZACIVSA-N 1 0 242.366 3.907 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000538002733 388675860 /nfs/dbraw/zinc/67/58/60/388675860.db2.gz QTCDOCHIGYLPPK-GFCCVEGCSA-N 1 0 233.330 3.711 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000538002737 388674578 /nfs/dbraw/zinc/67/45/78/388674578.db2.gz QTCDOCHIGYLPPK-LBPRGKRZSA-N 1 0 233.330 3.711 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000538002779 388675686 /nfs/dbraw/zinc/67/56/86/388675686.db2.gz QNEXIUWKMLOKLM-UHFFFAOYSA-N 1 0 235.758 3.664 20 30 BHEDRO C=C(CC)C[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000538002792 388675361 /nfs/dbraw/zinc/67/53/61/388675361.db2.gz SIRXQIVVENJUED-CYBMUJFWSA-N 1 0 233.355 3.741 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000538002794 388675666 /nfs/dbraw/zinc/67/56/66/388675666.db2.gz OZKRZOZSUGTLRR-INIZCTEOSA-N 1 0 229.367 3.517 20 30 BHEDRO C=C(CC)C[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000538002796 388675629 /nfs/dbraw/zinc/67/56/29/388675629.db2.gz SIRXQIVVENJUED-ZDUSSCGKSA-N 1 0 233.355 3.741 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000538002802 388675332 /nfs/dbraw/zinc/67/53/32/388675332.db2.gz OZKRZOZSUGTLRR-MRXNPFEDSA-N 1 0 229.367 3.517 20 30 BHEDRO C=C(CC)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000538003201 388676028 /nfs/dbraw/zinc/67/60/28/388676028.db2.gz WWJSMHRDNKEKIH-UHFFFAOYSA-N 1 0 245.366 3.570 20 30 BHEDRO C=C(CC)C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000538003264 388675421 /nfs/dbraw/zinc/67/54/21/388675421.db2.gz XAQUBJGSJCAMTJ-AWEZNQCLSA-N 1 0 217.356 3.688 20 30 BHEDRO C=C(CC)C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000538003267 388675653 /nfs/dbraw/zinc/67/56/53/388675653.db2.gz XAQUBJGSJCAMTJ-CQSZACIVSA-N 1 0 217.356 3.688 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000538003440 388675713 /nfs/dbraw/zinc/67/57/13/388675713.db2.gz WGPJPEBCDSQYQX-CYBMUJFWSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000538003445 388675933 /nfs/dbraw/zinc/67/59/33/388675933.db2.gz WGPJPEBCDSQYQX-ZDUSSCGKSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(CC)C[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000538003535 388675881 /nfs/dbraw/zinc/67/58/81/388675881.db2.gz ZCHKOGNCIAMRIF-HNNXBMFYSA-N 1 0 247.382 3.662 20 30 BHEDRO C=C(CC)C[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000538003536 388675582 /nfs/dbraw/zinc/67/55/82/388675582.db2.gz ZCHKOGNCIAMRIF-OAHLLOKOSA-N 1 0 247.382 3.662 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000538046070 388676988 /nfs/dbraw/zinc/67/69/88/388676988.db2.gz VYBGNYYSDQDWKY-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000538095533 388677953 /nfs/dbraw/zinc/67/79/53/388677953.db2.gz VYELEKIWFPEFRM-AWEZNQCLSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000538095594 388678011 /nfs/dbraw/zinc/67/80/11/388678011.db2.gz VYELEKIWFPEFRM-CQSZACIVSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000538095726 388677978 /nfs/dbraw/zinc/67/79/78/388677978.db2.gz WFCZTYQRBMHDLV-AWEZNQCLSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000538095727 388677898 /nfs/dbraw/zinc/67/78/98/388677898.db2.gz WFCZTYQRBMHDLV-CQSZACIVSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000538096055 388678455 /nfs/dbraw/zinc/67/84/55/388678455.db2.gz RLBGKTPTSOOZSJ-AVGNSLFASA-N 1 0 227.417 3.557 20 30 BHEDRO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000538096056 388678089 /nfs/dbraw/zinc/67/80/89/388678089.db2.gz RLBGKTPTSOOZSJ-RWMBFGLXSA-N 1 0 227.417 3.557 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000538096057 388678038 /nfs/dbraw/zinc/67/80/38/388678038.db2.gz RLBGKTPTSOOZSJ-UPJWGTAASA-N 1 0 227.417 3.557 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000538096058 324655312 /nfs/dbraw/zinc/65/53/12/324655312.db2.gz RLBGKTPTSOOZSJ-YNEHKIRRSA-N 1 0 227.417 3.557 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1sccc1C)C1CC1 ZINC000538117307 388677858 /nfs/dbraw/zinc/67/78/58/388677858.db2.gz WCIMPUQLBSSRHV-AWEZNQCLSA-N 1 0 249.423 3.933 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1sccc1C)C1CC1 ZINC000538117309 324656862 /nfs/dbraw/zinc/65/68/62/324656862.db2.gz WCIMPUQLBSSRHV-CQSZACIVSA-N 1 0 249.423 3.933 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000538131402 388677748 /nfs/dbraw/zinc/67/77/48/388677748.db2.gz HSSBHVJDXYDDGU-LLVKDONJSA-N 1 0 247.304 3.926 20 30 BHEDRO C=CCCC[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000538131404 388678060 /nfs/dbraw/zinc/67/80/60/388678060.db2.gz HSSBHVJDXYDDGU-NSHDSACASA-N 1 0 247.304 3.926 20 30 BHEDRO C=CCCC[C@@H](C)[NH+]1CCC(C=C)CC1 ZINC000538147151 324658083 /nfs/dbraw/zinc/65/80/83/324658083.db2.gz GINVYZWTJQEFAK-CYBMUJFWSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1CCC(C=C)CC1 ZINC000538147152 388679645 /nfs/dbraw/zinc/67/96/45/388679645.db2.gz GINVYZWTJQEFAK-ZDUSSCGKSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1CCC(OC(C)C)CC1 ZINC000538147729 388679614 /nfs/dbraw/zinc/67/96/14/388679614.db2.gz LWIWCFIMWBUJPS-AWEZNQCLSA-N 1 0 239.403 3.621 20 30 BHEDRO C=CCCC[C@@H](C)[NH+]1CCC(OC(C)C)CC1 ZINC000538147730 388678855 /nfs/dbraw/zinc/67/88/55/388678855.db2.gz LWIWCFIMWBUJPS-CQSZACIVSA-N 1 0 239.403 3.621 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000538176685 388679573 /nfs/dbraw/zinc/67/95/73/388679573.db2.gz MAWQSQVSBYJECS-CYBMUJFWSA-N 1 0 233.355 3.702 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000538176688 388679212 /nfs/dbraw/zinc/67/92/12/388679212.db2.gz MAWQSQVSBYJECS-ZDUSSCGKSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000538195783 324661494 /nfs/dbraw/zinc/66/14/94/324661494.db2.gz RPUJHXNGUQIUAC-ILXRZTDVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000538195784 388680624 /nfs/dbraw/zinc/68/06/24/388680624.db2.gz RPUJHXNGUQIUAC-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[C@H]1OC ZINC000538195785 324661464 /nfs/dbraw/zinc/66/14/64/324661464.db2.gz RPUJHXNGUQIUAC-QLFBSQMISA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000538195786 324661454 /nfs/dbraw/zinc/66/14/54/324661454.db2.gz RPUJHXNGUQIUAC-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO CC#CC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000538202406 324661499 /nfs/dbraw/zinc/66/14/99/324661499.db2.gz MOSDMDRCHULZQI-CYBMUJFWSA-N 1 0 247.407 3.861 20 30 BHEDRO CC#CC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000538202412 388680161 /nfs/dbraw/zinc/68/01/61/388680161.db2.gz MOSDMDRCHULZQI-ZDUSSCGKSA-N 1 0 247.407 3.861 20 30 BHEDRO C=CC[NH2+]C(C)(C)c1ccc(OCC(C)C)cc1 ZINC000538217049 388679843 /nfs/dbraw/zinc/67/98/43/388679843.db2.gz XQMJNIVTADSVIF-UHFFFAOYSA-N 1 0 247.382 3.732 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000538224609 388681740 /nfs/dbraw/zinc/68/17/40/388681740.db2.gz GBYISAMTWBZIAD-AWEZNQCLSA-N 1 0 239.309 3.828 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000538224610 388681681 /nfs/dbraw/zinc/68/16/81/388681681.db2.gz GBYISAMTWBZIAD-CQSZACIVSA-N 1 0 239.309 3.828 20 30 BHEDRO C=CC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000538225371 388680971 /nfs/dbraw/zinc/68/09/71/388680971.db2.gz VWGHARMXALTVBG-HNNXBMFYSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000538225374 388681528 /nfs/dbraw/zinc/68/15/28/388681528.db2.gz VWGHARMXALTVBG-OAHLLOKOSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000538225728 324662675 /nfs/dbraw/zinc/66/26/75/324662675.db2.gz JTQQHJZPMUAEBG-AWEZNQCLSA-N 1 0 239.309 3.828 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000538225729 388680978 /nfs/dbraw/zinc/68/09/78/388680978.db2.gz JTQQHJZPMUAEBG-CQSZACIVSA-N 1 0 239.309 3.828 20 30 BHEDRO C=C(CC)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000538235107 388681756 /nfs/dbraw/zinc/68/17/56/388681756.db2.gz XTCYFNXGUDJCCN-UHFFFAOYSA-N 1 0 239.309 3.756 20 30 BHEDRO CCCC1CCC(C[N@H+](C)C[C@@H](C)C#N)CC1 ZINC000538306641 388683503 /nfs/dbraw/zinc/68/35/03/388683503.db2.gz ZXDNJEYSSORYOJ-NFOMZHRRSA-N 1 0 236.403 3.684 20 30 BHEDRO CCCC1CCC(C[N@H+](C)C[C@H](C)C#N)CC1 ZINC000538306642 388683769 /nfs/dbraw/zinc/68/37/69/388683769.db2.gz ZXDNJEYSSORYOJ-WLYUNCDWSA-N 1 0 236.403 3.684 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@H](C)c1ccc(OC)cc1 ZINC000538308555 388684236 /nfs/dbraw/zinc/68/42/36/388684236.db2.gz XIPAOMVXBIADII-AWEZNQCLSA-N 1 0 247.382 3.697 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@@H](C)c1ccc(OC)cc1 ZINC000538308556 388684351 /nfs/dbraw/zinc/68/43/51/388684351.db2.gz XIPAOMVXBIADII-CQSZACIVSA-N 1 0 247.382 3.697 20 30 BHEDRO CCCCC[N@H+](CC1(C#N)CC1)[C@@H](C)CCC ZINC000538350187 388685354 /nfs/dbraw/zinc/68/53/54/388685354.db2.gz DUQJLKOFYYQXIN-AWEZNQCLSA-N 1 0 236.403 3.971 20 30 BHEDRO CCCCC[N@H+](CC1(C#N)CC1)[C@H](C)CCC ZINC000538350191 388684694 /nfs/dbraw/zinc/68/46/94/388684694.db2.gz DUQJLKOFYYQXIN-CQSZACIVSA-N 1 0 236.403 3.971 20 30 BHEDRO CC(C)(C)[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000538353955 324673016 /nfs/dbraw/zinc/67/30/16/324673016.db2.gz OVLSFOWADGGITA-AWEZNQCLSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)(C)[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000538353963 388684797 /nfs/dbraw/zinc/68/47/97/388684797.db2.gz OVLSFOWADGGITA-CQSZACIVSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)CC[NH+](CCC(C)C)CC1(C#N)CC1 ZINC000538360840 324672606 /nfs/dbraw/zinc/67/26/06/324672606.db2.gz ZSCQANPQHHTMTH-UHFFFAOYSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)C(C)(C)C ZINC000538389265 324673702 /nfs/dbraw/zinc/67/37/02/324673702.db2.gz CRGOJTFKTMBSGM-CYBMUJFWSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)C(C)(C)C ZINC000538389283 324673985 /nfs/dbraw/zinc/67/39/85/324673985.db2.gz CRGOJTFKTMBSGM-ZDUSSCGKSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000538390126 324674531 /nfs/dbraw/zinc/67/45/31/324674531.db2.gz OBHWTCCKUXSHEW-AWEZNQCLSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000538390127 384676822 /nfs/dbraw/zinc/67/68/22/384676822.db2.gz OBHWTCCKUXSHEW-CQSZACIVSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000538391435 324674773 /nfs/dbraw/zinc/67/47/73/324674773.db2.gz CBMYKSZHQAXPAU-AWEZNQCLSA-N 1 0 248.345 3.612 20 30 BHEDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000538391436 324674378 /nfs/dbraw/zinc/67/43/78/324674378.db2.gz CBMYKSZHQAXPAU-CQSZACIVSA-N 1 0 248.345 3.612 20 30 BHEDRO CC(C)C[N@H+](CCC(C)(C)C#N)CC(C)(C)C ZINC000538466942 388690923 /nfs/dbraw/zinc/69/09/23/388690923.db2.gz UFNAQSGNNUOKEN-UHFFFAOYSA-N 1 0 238.419 3.930 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCCC12CCCCC2 ZINC000538469327 388690566 /nfs/dbraw/zinc/69/05/66/388690566.db2.gz OILYHQNCUTYKHR-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO CCC[C@@]1(C)CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000538488523 388696871 /nfs/dbraw/zinc/69/68/71/388696871.db2.gz JKJURCGWTFDVHN-HNNXBMFYSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC[C@]1(C)CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000538488524 388697100 /nfs/dbraw/zinc/69/71/00/388697100.db2.gz JKJURCGWTFDVHN-OAHLLOKOSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC(CC)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506774 384699039 /nfs/dbraw/zinc/69/90/39/384699039.db2.gz YKDXVAWCMZMDBA-LLVKDONJSA-N 1 0 248.345 3.784 20 30 BHEDRO CCC(CC)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506775 384699675 /nfs/dbraw/zinc/69/96/75/384699675.db2.gz YKDXVAWCMZMDBA-NSHDSACASA-N 1 0 248.345 3.784 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506849 324707118 /nfs/dbraw/zinc/70/71/18/324707118.db2.gz FUPIUIWNXYMOBN-BXUZGUMPSA-N 1 0 248.345 3.927 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506850 384698371 /nfs/dbraw/zinc/69/83/71/384698371.db2.gz FUPIUIWNXYMOBN-FZMZJTMJSA-N 1 0 248.345 3.927 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506851 324707163 /nfs/dbraw/zinc/70/71/63/324707163.db2.gz FUPIUIWNXYMOBN-RISCZKNCSA-N 1 0 248.345 3.927 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506852 324706926 /nfs/dbraw/zinc/70/69/26/324706926.db2.gz FUPIUIWNXYMOBN-SMDDNHRTSA-N 1 0 248.345 3.927 20 30 BHEDRO C[C@H](C#N)C[N@H+](CC1CCCCCC1)C1CC1 ZINC000538721292 388711703 /nfs/dbraw/zinc/71/17/03/388711703.db2.gz ADGWWOOZVJZBIN-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H](C#N)C[N@H+](CC1CCCCCC1)C1CC1 ZINC000538721293 388711470 /nfs/dbraw/zinc/71/14/70/388711470.db2.gz ADGWWOOZVJZBIN-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H](C#N)C[N@H+](C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725246 388712003 /nfs/dbraw/zinc/71/20/03/388712003.db2.gz IPUIKQGQFCQFFH-KBPBESRZSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@H](C#N)C[N@H+](C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725247 388712539 /nfs/dbraw/zinc/71/25/39/388712539.db2.gz IPUIKQGQFCQFFH-KGLIPLIRSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@@H](C#N)C[N@H+](C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725248 388712606 /nfs/dbraw/zinc/71/26/06/388712606.db2.gz IPUIKQGQFCQFFH-UONOGXRCSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725249 388712405 /nfs/dbraw/zinc/71/24/05/388712405.db2.gz IPUIKQGQFCQFFH-ZIAGYGMSSA-N 1 0 248.414 3.827 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1occc1C ZINC000538727936 388713671 /nfs/dbraw/zinc/71/36/71/388713671.db2.gz JCDWDBSTKBDKEX-UHFFFAOYSA-N 1 0 221.344 3.766 20 30 BHEDRO C=CC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000538728840 324743321 /nfs/dbraw/zinc/74/33/21/324743321.db2.gz BHEBTYHBDFAIFX-UHFFFAOYSA-N 1 0 235.758 3.738 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000538729766 388713832 /nfs/dbraw/zinc/71/38/32/388713832.db2.gz SKEOTQQGHAPYFF-UHFFFAOYSA-N 1 0 241.787 3.800 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000538730418 324744355 /nfs/dbraw/zinc/74/43/55/324744355.db2.gz KBIPNYXMQVYSDF-DOMZBBRYSA-N 1 0 245.366 3.801 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000538730419 388713881 /nfs/dbraw/zinc/71/38/81/388713881.db2.gz KBIPNYXMQVYSDF-IUODEOHRSA-N 1 0 245.366 3.801 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000538730420 388714010 /nfs/dbraw/zinc/71/40/10/388714010.db2.gz KBIPNYXMQVYSDF-SWLSCSKDSA-N 1 0 245.366 3.801 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000538730421 388713546 /nfs/dbraw/zinc/71/35/46/388713546.db2.gz KBIPNYXMQVYSDF-WFASDCNBSA-N 1 0 245.366 3.801 20 30 BHEDRO C=CC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000538730465 324744265 /nfs/dbraw/zinc/74/42/65/324744265.db2.gz NJFOICDIGPLJPC-DLBZAZTESA-N 1 0 241.378 3.688 20 30 BHEDRO C=CC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000538730466 388713557 /nfs/dbraw/zinc/71/35/57/388713557.db2.gz NJFOICDIGPLJPC-IAGOWNOFSA-N 1 0 241.378 3.688 20 30 BHEDRO C=CC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000538730467 388713472 /nfs/dbraw/zinc/71/34/72/388713472.db2.gz NJFOICDIGPLJPC-SJORKVTESA-N 1 0 241.378 3.688 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000538735954 388715067 /nfs/dbraw/zinc/71/50/67/388715067.db2.gz PVTWTSWGQMXDCE-GXTWGEPZSA-N 1 0 233.355 3.801 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000538735955 388715146 /nfs/dbraw/zinc/71/51/46/388715146.db2.gz PVTWTSWGQMXDCE-JSGCOSHPSA-N 1 0 233.355 3.801 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000538735956 388715059 /nfs/dbraw/zinc/71/50/59/388715059.db2.gz PVTWTSWGQMXDCE-OCCSQVGLSA-N 1 0 233.355 3.801 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000538735957 384134653 /nfs/dbraw/zinc/13/46/53/384134653.db2.gz PVTWTSWGQMXDCE-TZMCWYRMSA-N 1 0 233.355 3.801 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(CC)s1 ZINC000538737445 388716310 /nfs/dbraw/zinc/71/63/10/388716310.db2.gz FEUXEYMTMMQYLT-UHFFFAOYSA-N 1 0 223.385 3.709 20 30 BHEDRO C=C(C)C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000538945953 388742739 /nfs/dbraw/zinc/74/27/39/388742739.db2.gz QEEMUTDCSMEXBW-UHFFFAOYSA-N 1 0 227.351 3.660 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1Cl)C1CC1 ZINC000538957290 388742546 /nfs/dbraw/zinc/74/25/46/388742546.db2.gz UXTFDWXYBCKVTN-UHFFFAOYSA-N 1 0 235.758 3.533 20 30 BHEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@H]1CCCC ZINC000539064908 324822987 /nfs/dbraw/zinc/82/29/87/324822987.db2.gz NSJKTLCLFUPQEG-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000539064911 324823107 /nfs/dbraw/zinc/82/31/07/324823107.db2.gz NSJKTLCLFUPQEG-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000539064912 324823089 /nfs/dbraw/zinc/82/30/89/324823089.db2.gz NSJKTLCLFUPQEG-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000539064914 388745849 /nfs/dbraw/zinc/74/58/49/388745849.db2.gz NSJKTLCLFUPQEG-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000539071135 388746980 /nfs/dbraw/zinc/74/69/80/388746980.db2.gz OCEYUQVPEJSQRF-DOMZBBRYSA-N 1 0 229.367 3.963 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000539071141 324822746 /nfs/dbraw/zinc/82/27/46/324822746.db2.gz OCEYUQVPEJSQRF-IUODEOHRSA-N 1 0 229.367 3.963 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000539071143 388747149 /nfs/dbraw/zinc/74/71/49/388747149.db2.gz OCEYUQVPEJSQRF-SWLSCSKDSA-N 1 0 229.367 3.963 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000539071145 324822998 /nfs/dbraw/zinc/82/29/98/324822998.db2.gz OCEYUQVPEJSQRF-WFASDCNBSA-N 1 0 229.367 3.963 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000539072393 388746691 /nfs/dbraw/zinc/74/66/91/388746691.db2.gz YFXSFJHZNOOPPZ-PBHICJAKSA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000539072396 388746803 /nfs/dbraw/zinc/74/68/03/388746803.db2.gz YFXSFJHZNOOPPZ-RHSMWYFYSA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000539072397 322907537 /nfs/dbraw/zinc/90/75/37/322907537.db2.gz YFXSFJHZNOOPPZ-WMLDXEAASA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000539072403 384200205 /nfs/dbraw/zinc/20/02/05/384200205.db2.gz YFXSFJHZNOOPPZ-YOEHRIQHSA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539073592 388746918 /nfs/dbraw/zinc/74/69/18/388746918.db2.gz OJFZPGMZJGDNER-NEPJUHHUSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539073593 324823023 /nfs/dbraw/zinc/82/30/23/324823023.db2.gz OJFZPGMZJGDNER-NWDGAFQWSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539073594 324822983 /nfs/dbraw/zinc/82/29/83/324822983.db2.gz OJFZPGMZJGDNER-RYUDHWBXSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539073595 388747145 /nfs/dbraw/zinc/74/71/45/388747145.db2.gz OJFZPGMZJGDNER-VXGBXAGGSA-N 1 0 248.326 3.518 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000539073653 324822784 /nfs/dbraw/zinc/82/27/84/324822784.db2.gz OUVCSCNTSYMXKD-BBRMVZONSA-N 1 0 249.373 3.947 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000539073658 388747002 /nfs/dbraw/zinc/74/70/02/388747002.db2.gz OUVCSCNTSYMXKD-CJNGLKHVSA-N 1 0 249.373 3.947 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000539073660 324822839 /nfs/dbraw/zinc/82/28/39/324822839.db2.gz OUVCSCNTSYMXKD-CZUORRHYSA-N 1 0 249.373 3.947 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000539073661 324822918 /nfs/dbraw/zinc/82/29/18/324822918.db2.gz OUVCSCNTSYMXKD-XJKSGUPXSA-N 1 0 249.373 3.947 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1cccs1 ZINC000539094684 384215907 /nfs/dbraw/zinc/21/59/07/384215907.db2.gz AFUYOFRMLYVQET-LLVKDONJSA-N 1 0 209.358 3.707 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000539094685 384217079 /nfs/dbraw/zinc/21/70/79/384217079.db2.gz AFUYOFRMLYVQET-NSHDSACASA-N 1 0 209.358 3.707 20 30 BHEDRO C=CC[N@@H+](CC(=C)CC)Cc1cccs1 ZINC000539094686 384215936 /nfs/dbraw/zinc/21/59/36/384215936.db2.gz AHWVYKCOVLKHIG-UHFFFAOYSA-N 1 0 221.369 3.702 20 30 BHEDRO C=C(CC)C[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000539094707 388748417 /nfs/dbraw/zinc/74/84/17/388748417.db2.gz COADYHVZRBKBBT-UHFFFAOYSA-N 1 0 242.366 3.736 20 30 BHEDRO C=C(CC)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000539094728 388747683 /nfs/dbraw/zinc/74/76/83/388747683.db2.gz FLJMDLHXQVTQCA-UHFFFAOYSA-N 1 0 233.330 3.756 20 30 BHEDRO C=C(CC)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000539094746 388748439 /nfs/dbraw/zinc/74/84/39/388748439.db2.gz GVLXPDQHDKMBRD-UHFFFAOYSA-N 1 0 233.330 3.756 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000539095049 388748337 /nfs/dbraw/zinc/74/83/37/388748337.db2.gz BLTUYLFVNZFZNL-LLVKDONJSA-N 1 0 221.369 3.633 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000539095062 388747702 /nfs/dbraw/zinc/74/77/02/388747702.db2.gz BLTUYLFVNZFZNL-NSHDSACASA-N 1 0 221.369 3.633 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000539095065 388748147 /nfs/dbraw/zinc/74/81/47/388748147.db2.gz PAQHHARRMCYIJA-INIZCTEOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000539095066 388748423 /nfs/dbraw/zinc/74/84/23/388748423.db2.gz PAQHHARRMCYIJA-MRXNPFEDSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CC[N@@H+](CC(=C)CC)Cc1cccc(C#N)c1 ZINC000539103099 388747692 /nfs/dbraw/zinc/74/76/92/388747692.db2.gz BMPRGAWEYJLFCH-UHFFFAOYSA-N 1 0 240.350 3.512 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000539103285 388747987 /nfs/dbraw/zinc/74/79/87/388747987.db2.gz BXUJTFOIDUVDHJ-HNNXBMFYSA-N 1 0 233.330 3.929 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000539103286 388747998 /nfs/dbraw/zinc/74/79/98/388747998.db2.gz BXUJTFOIDUVDHJ-OAHLLOKOSA-N 1 0 233.330 3.929 20 30 BHEDRO C=C(CC)C[N@H+](CC)CCc1cccs1 ZINC000539103315 388747896 /nfs/dbraw/zinc/74/78/96/388747896.db2.gz DAKYYOIHTKZCPM-UHFFFAOYSA-N 1 0 223.385 3.579 20 30 BHEDRO C=C(CC)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000539104509 388748297 /nfs/dbraw/zinc/74/82/97/388748297.db2.gz SFUIDPTXBUHTAS-UHFFFAOYSA-N 1 0 235.293 3.617 20 30 BHEDRO C=C(CC)C[N@H+](C)CCCc1ccc(OC)cc1 ZINC000539105165 388747784 /nfs/dbraw/zinc/74/77/84/388747784.db2.gz OGJMKPMOMWUCRF-UHFFFAOYSA-N 1 0 247.382 3.526 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000539116157 388748944 /nfs/dbraw/zinc/74/89/44/388748944.db2.gz OMAGKLXQURCWIC-INIZCTEOSA-N 1 0 244.382 3.529 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000539116158 388749357 /nfs/dbraw/zinc/74/93/57/388749357.db2.gz OMAGKLXQURCWIC-MRXNPFEDSA-N 1 0 244.382 3.529 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000539197107 388749820 /nfs/dbraw/zinc/74/98/20/388749820.db2.gz LKZTVJFCSOZCQF-AWEZNQCLSA-N 1 0 217.356 3.863 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000539197108 388750454 /nfs/dbraw/zinc/75/04/54/388750454.db2.gz LKZTVJFCSOZCQF-CQSZACIVSA-N 1 0 217.356 3.863 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1cccs1 ZINC000539199627 388749849 /nfs/dbraw/zinc/74/98/49/388749849.db2.gz JZSDNQBMCDCCQZ-GFCCVEGCSA-N 1 0 223.385 3.925 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1cccs1 ZINC000539199628 388750188 /nfs/dbraw/zinc/75/01/88/388750188.db2.gz JZSDNQBMCDCCQZ-LBPRGKRZSA-N 1 0 223.385 3.925 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccncc1CC ZINC000539214597 324828764 /nfs/dbraw/zinc/82/87/64/324828764.db2.gz QXIBLGKRIDGSEW-BFHYXJOUSA-N 1 0 246.398 3.895 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccncc1CC ZINC000539214598 388750522 /nfs/dbraw/zinc/75/05/22/388750522.db2.gz QXIBLGKRIDGSEW-IHRRRGAJSA-N 1 0 246.398 3.895 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccncc1CC ZINC000539214599 324828721 /nfs/dbraw/zinc/82/87/21/324828721.db2.gz QXIBLGKRIDGSEW-MELADBBJSA-N 1 0 246.398 3.895 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccncc1CC ZINC000539214600 388749938 /nfs/dbraw/zinc/74/99/38/388749938.db2.gz QXIBLGKRIDGSEW-MJBXVCDLSA-N 1 0 246.398 3.895 20 30 BHEDRO C=CCCC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000539244162 388751703 /nfs/dbraw/zinc/75/17/03/388751703.db2.gz ULZGZIFKBMSMFT-INIZCTEOSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCCC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000539244163 324829527 /nfs/dbraw/zinc/82/95/27/324829527.db2.gz ULZGZIFKBMSMFT-MRXNPFEDSA-N 1 0 247.382 3.948 20 30 BHEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000539249603 324829517 /nfs/dbraw/zinc/82/95/17/324829517.db2.gz VBKHWWJLIBKTKK-LLVKDONJSA-N 1 0 231.330 3.708 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000539249605 324829531 /nfs/dbraw/zinc/82/95/31/324829531.db2.gz VBKHWWJLIBKTKK-NSHDSACASA-N 1 0 231.330 3.708 20 30 BHEDRO CC#CC[NH2+][C@@H](CCCC)c1ccc(OC)cc1 ZINC000539305276 324831330 /nfs/dbraw/zinc/83/13/30/324831330.db2.gz IMMWCOQGQVLYDI-INIZCTEOSA-N 1 0 245.366 3.539 20 30 BHEDRO CC#CC[NH2+][C@H](CCCC)c1ccc(OC)cc1 ZINC000539305278 324831853 /nfs/dbraw/zinc/83/18/53/324831853.db2.gz IMMWCOQGQVLYDI-MRXNPFEDSA-N 1 0 245.366 3.539 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000539310582 324831536 /nfs/dbraw/zinc/83/15/36/324831536.db2.gz ZCRZWKMGEPXJBI-HNNXBMFYSA-N 1 0 233.330 3.833 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000539310583 388752443 /nfs/dbraw/zinc/75/24/43/388752443.db2.gz ZCRZWKMGEPXJBI-OAHLLOKOSA-N 1 0 233.330 3.833 20 30 BHEDRO C=C(C)C[NH2+][C@@H](CCC)c1ccc(F)cc1F ZINC000539325634 324832150 /nfs/dbraw/zinc/83/21/50/324832150.db2.gz XRMNQWJYVCVJBK-AWEZNQCLSA-N 1 0 239.309 3.972 20 30 BHEDRO C=C(C)C[NH2+][C@H](CCC)c1ccc(F)cc1F ZINC000539325637 388753755 /nfs/dbraw/zinc/75/37/55/388753755.db2.gz XRMNQWJYVCVJBK-CQSZACIVSA-N 1 0 239.309 3.972 20 30 BHEDRO CCC[C@@H](C[N@H+](CC)CCC#N)c1ccccc1 ZINC000539406740 388757233 /nfs/dbraw/zinc/75/72/33/388757233.db2.gz GYBPHJZSBMPHCG-INIZCTEOSA-N 1 0 244.382 3.806 20 30 BHEDRO CCC[C@H](C[N@H+](CC)CCC#N)c1ccccc1 ZINC000539406741 388757486 /nfs/dbraw/zinc/75/74/86/388757486.db2.gz GYBPHJZSBMPHCG-MRXNPFEDSA-N 1 0 244.382 3.806 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000539408625 388759129 /nfs/dbraw/zinc/75/91/29/388759129.db2.gz XFDNXTMSKKDHLF-AWEZNQCLSA-N 1 0 247.382 3.697 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000539408626 388758293 /nfs/dbraw/zinc/75/82/93/388758293.db2.gz XFDNXTMSKKDHLF-CQSZACIVSA-N 1 0 247.382 3.697 20 30 BHEDRO CCC[C@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000539409209 388759247 /nfs/dbraw/zinc/75/92/47/388759247.db2.gz VVSYHUSKXGXVMD-GDBMZVCRSA-N 1 0 244.382 3.662 20 30 BHEDRO CCC[C@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000539409211 388758458 /nfs/dbraw/zinc/75/84/58/388758458.db2.gz VVSYHUSKXGXVMD-GOEBONIOSA-N 1 0 244.382 3.662 20 30 BHEDRO CCC[C@@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000539409212 388758989 /nfs/dbraw/zinc/75/89/89/388758989.db2.gz VVSYHUSKXGXVMD-HOCLYGCPSA-N 1 0 244.382 3.662 20 30 BHEDRO CCC[C@@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000539409213 388759264 /nfs/dbraw/zinc/75/92/64/388759264.db2.gz VVSYHUSKXGXVMD-ZBFHGGJFSA-N 1 0 244.382 3.662 20 30 BHEDRO CCC[N@H+](CC1CCCCC1)CC1(C#N)CC1 ZINC000539413488 388758433 /nfs/dbraw/zinc/75/84/33/388758433.db2.gz ODVYGGZVWSNYOR-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000539425817 324837869 /nfs/dbraw/zinc/83/78/69/324837869.db2.gz WNPUKDLJVSOCSA-HNNXBMFYSA-N 1 0 233.330 3.751 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000539425820 388758810 /nfs/dbraw/zinc/75/88/10/388758810.db2.gz WNPUKDLJVSOCSA-OAHLLOKOSA-N 1 0 233.330 3.751 20 30 BHEDRO CCC[N@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000539425966 388758931 /nfs/dbraw/zinc/75/89/31/388758931.db2.gz ZGXMZKOEMPDAKL-UHFFFAOYSA-N 1 0 247.769 3.566 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000539450523 388759629 /nfs/dbraw/zinc/75/96/29/388759629.db2.gz DNFIRUMIWLOLKB-HNNXBMFYSA-N 1 0 246.398 3.725 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000539450533 388759598 /nfs/dbraw/zinc/75/95/98/388759598.db2.gz DNFIRUMIWLOLKB-OAHLLOKOSA-N 1 0 246.398 3.725 20 30 BHEDRO CCC[C@H]([NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000539491930 388761394 /nfs/dbraw/zinc/76/13/94/388761394.db2.gz XAQIMZUPMRDBLE-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC[C@@H]([NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000539491935 324840385 /nfs/dbraw/zinc/84/03/85/324840385.db2.gz XAQIMZUPMRDBLE-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)CC[C@@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC000539493512 324841400 /nfs/dbraw/zinc/84/14/00/324841400.db2.gz UESZMIKYGAJAQB-CYBMUJFWSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CC[C@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC000539493520 388761312 /nfs/dbraw/zinc/76/13/12/388761312.db2.gz UESZMIKYGAJAQB-ZDUSSCGKSA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)(C)C ZINC000539493722 324841195 /nfs/dbraw/zinc/84/11/95/324841195.db2.gz VVSVCZBBZCDWKS-HNNXBMFYSA-N 1 0 247.357 3.592 20 30 BHEDRO CC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)(C)C ZINC000539493723 388762014 /nfs/dbraw/zinc/76/20/14/388762014.db2.gz VVSVCZBBZCDWKS-OAHLLOKOSA-N 1 0 247.357 3.592 20 30 BHEDRO CC(C)C[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000539568352 388766789 /nfs/dbraw/zinc/76/67/89/388766789.db2.gz HKTPEKOXKAROOW-AWEZNQCLSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)C[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000539568386 388766393 /nfs/dbraw/zinc/76/63/93/388766393.db2.gz HKTPEKOXKAROOW-CQSZACIVSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000539568891 388766525 /nfs/dbraw/zinc/76/65/25/388766525.db2.gz GMDOPRVCLDRWFF-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000539568892 388766501 /nfs/dbraw/zinc/76/65/01/388766501.db2.gz GMDOPRVCLDRWFF-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000539587397 388765995 /nfs/dbraw/zinc/76/59/95/388765995.db2.gz CESFJBLZEBJLHM-AWEZNQCLSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)CC[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000539587398 388766585 /nfs/dbraw/zinc/76/65/85/388766585.db2.gz CESFJBLZEBJLHM-CQSZACIVSA-N 1 0 236.403 3.827 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000539588754 388765917 /nfs/dbraw/zinc/76/59/17/388765917.db2.gz SOQYYBOQZOFIPN-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C=CC[N@@H+](CCC(C)(C)C#N)CC1CCCCC1 ZINC000539588899 388766507 /nfs/dbraw/zinc/76/65/07/388766507.db2.gz VPMPDTSJXCHECG-UHFFFAOYSA-N 1 0 248.414 3.995 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000539602336 388766596 /nfs/dbraw/zinc/76/65/96/388766596.db2.gz GBIAWAZKKOTOTD-GXTWGEPZSA-N 1 0 249.373 3.867 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000539602345 324847959 /nfs/dbraw/zinc/84/79/59/324847959.db2.gz GBIAWAZKKOTOTD-JSGCOSHPSA-N 1 0 249.373 3.867 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000539602346 324847740 /nfs/dbraw/zinc/84/77/40/324847740.db2.gz GBIAWAZKKOTOTD-OCCSQVGLSA-N 1 0 249.373 3.867 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000539602348 324847508 /nfs/dbraw/zinc/84/75/08/324847508.db2.gz GBIAWAZKKOTOTD-TZMCWYRMSA-N 1 0 249.373 3.867 20 30 BHEDRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000539610295 384984094 /nfs/dbraw/zinc/98/40/94/384984094.db2.gz UOJOUCYDVZRGFF-LLVKDONJSA-N 1 0 248.345 3.784 20 30 BHEDRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000539610296 384984176 /nfs/dbraw/zinc/98/41/76/384984176.db2.gz UOJOUCYDVZRGFF-NSHDSACASA-N 1 0 248.345 3.784 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cccs1 ZINC000539825514 388782345 /nfs/dbraw/zinc/78/23/45/388782345.db2.gz DFGYZTFLDYUCOE-UHFFFAOYSA-N 1 0 223.385 3.926 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccsc1 ZINC000539827642 388781539 /nfs/dbraw/zinc/78/15/39/388781539.db2.gz OJPJFYIVHIGLKA-UHFFFAOYSA-N 1 0 223.385 3.926 20 30 BHEDRO C=CC1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC000539828200 388782069 /nfs/dbraw/zinc/78/20/69/388782069.db2.gz JJGFIPMPTGUOLZ-UHFFFAOYSA-N 1 0 233.330 3.532 20 30 BHEDRO C=CC[N@@H+](Cc1cccn1C)CC1CCCCC1 ZINC000539830607 388783930 /nfs/dbraw/zinc/78/39/30/388783930.db2.gz IHHBUMYBZJFTAN-UHFFFAOYSA-N 1 0 246.398 3.593 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(F)cc1C ZINC000539834631 388782738 /nfs/dbraw/zinc/78/27/38/388782738.db2.gz AVJPGJSTLBXAGY-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000539836951 388783881 /nfs/dbraw/zinc/78/38/81/388783881.db2.gz PSKKJCRFVGSABY-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000539837438 388783224 /nfs/dbraw/zinc/78/32/24/388783224.db2.gz BXTHSAWQGXGKJV-UHFFFAOYSA-N 1 0 221.319 3.532 20 30 BHEDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000539898868 388787217 /nfs/dbraw/zinc/78/72/17/388787217.db2.gz IKODTYUIPXXAPS-CYBMUJFWSA-N 1 0 246.354 3.696 20 30 BHEDRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000539898869 385023519 /nfs/dbraw/zinc/02/35/19/385023519.db2.gz IKODTYUIPXXAPS-ZDUSSCGKSA-N 1 0 246.354 3.696 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000539968992 324879620 /nfs/dbraw/zinc/87/96/20/324879620.db2.gz MRKCLOZHKXLGHR-ILXRZTDVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000539968993 388790893 /nfs/dbraw/zinc/79/08/93/388790893.db2.gz MRKCLOZHKXLGHR-KFWWJZLASA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000539968994 388791209 /nfs/dbraw/zinc/79/12/09/388791209.db2.gz MRKCLOZHKXLGHR-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000539968996 388790804 /nfs/dbraw/zinc/79/08/04/388790804.db2.gz MRKCLOZHKXLGHR-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000540043992 388793623 /nfs/dbraw/zinc/79/36/23/388793623.db2.gz KIWKEXHLEQBWMY-UHFFFAOYSA-N 1 0 227.351 3.660 20 30 BHEDRO C=CCC[C@@H]([NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000540152411 388797783 /nfs/dbraw/zinc/79/77/83/388797783.db2.gz FKLFPORKEWFTMJ-CYBMUJFWSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CCC[C@H]([NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000540152417 324888924 /nfs/dbraw/zinc/88/89/24/324888924.db2.gz FKLFPORKEWFTMJ-ZDUSSCGKSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C2CC2)CCC1)C1CC1 ZINC000540154117 324889031 /nfs/dbraw/zinc/88/90/31/324889031.db2.gz ODNGCSTVOXEITQ-HNNXBMFYSA-N 1 0 233.399 3.901 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(C2CC2)CCC1)C1CC1 ZINC000540154120 324888737 /nfs/dbraw/zinc/88/87/37/324888737.db2.gz ODNGCSTVOXEITQ-OAHLLOKOSA-N 1 0 233.399 3.901 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](CC)C1CCCCC1 ZINC000540158431 324888804 /nfs/dbraw/zinc/88/88/04/324888804.db2.gz XJBFCJHDVWQMDY-HNNXBMFYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](CC)C1CCCCC1 ZINC000540158434 388797708 /nfs/dbraw/zinc/79/77/08/388797708.db2.gz XJBFCJHDVWQMDY-OAHLLOKOSA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)COCC[NH2+][C@@H](C)CCC1CCCC1 ZINC000540159994 324889027 /nfs/dbraw/zinc/88/90/27/324889027.db2.gz QLUYKIWPHXNVEP-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)COCC[NH2+][C@H](C)CCC1CCCC1 ZINC000540159995 324888680 /nfs/dbraw/zinc/88/86/80/324888680.db2.gz QLUYKIWPHXNVEP-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1ccccc1C)C1CC1 ZINC000540160321 324888783 /nfs/dbraw/zinc/88/87/83/324888783.db2.gz UIFVRQPDSDSGEA-KRWDZBQOSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1ccccc1C)C1CC1 ZINC000540160327 324889007 /nfs/dbraw/zinc/88/90/07/324889007.db2.gz UIFVRQPDSDSGEA-QGZVFWFLSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000540171463 388798758 /nfs/dbraw/zinc/79/87/58/388798758.db2.gz XOWYAWHTHWEMBF-PBHICJAKSA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000540171464 324889473 /nfs/dbraw/zinc/88/94/73/324889473.db2.gz XOWYAWHTHWEMBF-RHSMWYFYSA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000540171465 324889521 /nfs/dbraw/zinc/88/95/21/324889521.db2.gz XOWYAWHTHWEMBF-WMLDXEAASA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000540171466 388798189 /nfs/dbraw/zinc/79/81/89/388798189.db2.gz XOWYAWHTHWEMBF-YOEHRIQHSA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000540171873 388798740 /nfs/dbraw/zinc/79/87/40/388798740.db2.gz FJZUTTIWYSUIKN-JRPNMDOOSA-N 1 0 233.330 3.613 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000540171874 324889835 /nfs/dbraw/zinc/88/98/35/324889835.db2.gz FJZUTTIWYSUIKN-PGUXBMHVSA-N 1 0 233.330 3.613 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000540171875 388798589 /nfs/dbraw/zinc/79/85/89/388798589.db2.gz FJZUTTIWYSUIKN-ZETOZRRWSA-N 1 0 233.330 3.613 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000540171876 388797758 /nfs/dbraw/zinc/79/77/58/388797758.db2.gz FJZUTTIWYSUIKN-ZIBATOQPSA-N 1 0 233.330 3.613 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1ccccc1N(C)C ZINC000540173388 324890276 /nfs/dbraw/zinc/89/02/76/324890276.db2.gz OKXFMKXMBSELNN-HNNXBMFYSA-N 1 0 246.398 3.587 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccccc1N(C)C ZINC000540173389 388798719 /nfs/dbraw/zinc/79/87/19/388798719.db2.gz OKXFMKXMBSELNN-OAHLLOKOSA-N 1 0 246.398 3.587 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1ccc(C)cc1)C1CC1 ZINC000540185594 324891044 /nfs/dbraw/zinc/89/10/44/324891044.db2.gz SZKIZWZAGHAJQC-KRWDZBQOSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1ccc(C)cc1)C1CC1 ZINC000540185595 388797955 /nfs/dbraw/zinc/79/79/55/388797955.db2.gz SZKIZWZAGHAJQC-QGZVFWFLSA-N 1 0 243.394 3.872 20 30 BHEDRO C=C(CC)C[N@@H+](CC)Cc1cccc(F)c1 ZINC000540193224 388799198 /nfs/dbraw/zinc/79/91/98/388799198.db2.gz GVROWGWDSWNPOQ-UHFFFAOYSA-N 1 0 221.319 3.614 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000540193466 388799151 /nfs/dbraw/zinc/79/91/51/388799151.db2.gz KUVCCKPPRUWCCX-UHFFFAOYSA-N 1 0 229.776 3.800 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000540193615 388799773 /nfs/dbraw/zinc/79/97/73/388799773.db2.gz MUMTYRGOMNZHPO-LLVKDONJSA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000540193617 388800623 /nfs/dbraw/zinc/80/06/23/388800623.db2.gz MUMTYRGOMNZHPO-NSHDSACASA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000540193628 388799958 /nfs/dbraw/zinc/79/99/58/388799958.db2.gz AJOFCMYBBRFVMB-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=C(CC)C[N@H+](CC)CCc1ccccc1 ZINC000540193763 388800404 /nfs/dbraw/zinc/80/04/04/388800404.db2.gz DULFXIFDABKQIA-UHFFFAOYSA-N 1 0 217.356 3.517 20 30 BHEDRO C=C(CC)C[N@H+]1CCCC[C@@H](SCC)C1 ZINC000540204099 388799540 /nfs/dbraw/zinc/79/95/40/388799540.db2.gz KCGIJJIEXOOLTF-CYBMUJFWSA-N 1 0 227.417 3.560 20 30 BHEDRO C=C(CC)C[N@H+]1CCCC[C@H](SCC)C1 ZINC000540204101 388799994 /nfs/dbraw/zinc/79/99/94/388799994.db2.gz KCGIJJIEXOOLTF-ZDUSSCGKSA-N 1 0 227.417 3.560 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000540205302 388800036 /nfs/dbraw/zinc/80/00/36/388800036.db2.gz YMEZSMUTFFYKIA-AWEZNQCLSA-N 1 0 247.382 3.524 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC000540205303 388799376 /nfs/dbraw/zinc/79/93/76/388799376.db2.gz YMEZSMUTFFYKIA-CQSZACIVSA-N 1 0 247.382 3.524 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000540216908 388800152 /nfs/dbraw/zinc/80/01/52/388800152.db2.gz BNOFAPKKKKVKGV-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000540218022 388799406 /nfs/dbraw/zinc/79/94/06/388799406.db2.gz ZPNVTVFPBKRFFX-LLVKDONJSA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000540218023 388800687 /nfs/dbraw/zinc/80/06/87/388800687.db2.gz ZPNVTVFPBKRFFX-NSHDSACASA-N 1 0 239.309 3.924 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000540243029 388800707 /nfs/dbraw/zinc/80/07/07/388800707.db2.gz XPQVCHQSPWFMDX-UHFFFAOYSA-N 1 0 235.758 3.664 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+]1CCS[C@H](CC)C1 ZINC000540298194 388801562 /nfs/dbraw/zinc/80/15/62/388801562.db2.gz ZPVBYTQHKLMMIR-CHWSQXEVSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+]1CCS[C@@H](CC)C1 ZINC000540298199 388801141 /nfs/dbraw/zinc/80/11/41/388801141.db2.gz ZPVBYTQHKLMMIR-OLZOCXBDSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[C@H](C)[N@H+]1CCS[C@H](CC)C1 ZINC000540298201 388801820 /nfs/dbraw/zinc/80/18/20/388801820.db2.gz ZPVBYTQHKLMMIR-QWHCGFSZSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[C@H](C)[N@H+]1CCS[C@@H](CC)C1 ZINC000540298203 388802123 /nfs/dbraw/zinc/80/21/23/388802123.db2.gz ZPVBYTQHKLMMIR-STQMWFEESA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000540325877 388803504 /nfs/dbraw/zinc/80/35/04/388803504.db2.gz IMUALGXMHORIMI-CYBMUJFWSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000540325881 324895597 /nfs/dbraw/zinc/89/55/97/324895597.db2.gz IMUALGXMHORIMI-ZDUSSCGKSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000540341114 388804807 /nfs/dbraw/zinc/80/48/07/388804807.db2.gz YWAOTZFVUWQALY-KBPBESRZSA-N 1 0 241.444 3.949 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000540341115 388804320 /nfs/dbraw/zinc/80/43/20/388804320.db2.gz YWAOTZFVUWQALY-KGLIPLIRSA-N 1 0 241.444 3.949 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000540341116 388804239 /nfs/dbraw/zinc/80/42/39/388804239.db2.gz YWAOTZFVUWQALY-UONOGXRCSA-N 1 0 241.444 3.949 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000540341117 388803606 /nfs/dbraw/zinc/80/36/06/388803606.db2.gz YWAOTZFVUWQALY-ZIAGYGMSSA-N 1 0 241.444 3.949 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000540345661 388803551 /nfs/dbraw/zinc/80/35/51/388803551.db2.gz BUNCAJAVASVIAO-GFCCVEGCSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000540345662 388803815 /nfs/dbraw/zinc/80/38/15/388803815.db2.gz BUNCAJAVASVIAO-LBPRGKRZSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000540354924 388804548 /nfs/dbraw/zinc/80/45/48/388804548.db2.gz UJBQXWDMFQDUGL-AWEZNQCLSA-N 1 0 231.383 3.909 20 30 BHEDRO C=CCCC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000540354927 324897156 /nfs/dbraw/zinc/89/71/56/324897156.db2.gz UJBQXWDMFQDUGL-CQSZACIVSA-N 1 0 231.383 3.909 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000540354989 388804289 /nfs/dbraw/zinc/80/42/89/388804289.db2.gz VKFBHGLDZDYDKZ-AWEZNQCLSA-N 1 0 231.383 3.909 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000540354990 388803575 /nfs/dbraw/zinc/80/35/75/388803575.db2.gz VKFBHGLDZDYDKZ-CQSZACIVSA-N 1 0 231.383 3.909 20 30 BHEDRO CC#CC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000540403222 324898495 /nfs/dbraw/zinc/89/84/95/324898495.db2.gz CXLIDNTZMWFWAR-UHFFFAOYSA-N 1 0 249.357 3.563 20 30 BHEDRO C=CC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000540403842 388804592 /nfs/dbraw/zinc/80/45/92/388804592.db2.gz LBNKZJZJBUJASB-UHFFFAOYSA-N 1 0 237.346 3.726 20 30 BHEDRO CC#CC[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000540424323 388805876 /nfs/dbraw/zinc/80/58/76/388805876.db2.gz JXQZQJHZBFHOQQ-AWEZNQCLSA-N 1 0 233.330 3.526 20 30 BHEDRO CC#CC[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000540424324 388805929 /nfs/dbraw/zinc/80/59/29/388805929.db2.gz JXQZQJHZBFHOQQ-CQSZACIVSA-N 1 0 233.330 3.526 20 30 BHEDRO C=CC[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000540424732 388805480 /nfs/dbraw/zinc/80/54/80/388805480.db2.gz WNTQSYYMIIPNQB-CYBMUJFWSA-N 1 0 239.309 3.828 20 30 BHEDRO C=CC[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000540424733 388805789 /nfs/dbraw/zinc/80/57/89/388805789.db2.gz WNTQSYYMIIPNQB-ZDUSSCGKSA-N 1 0 239.309 3.828 20 30 BHEDRO C=CC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000540430325 388806520 /nfs/dbraw/zinc/80/65/20/388806520.db2.gz OKQSSJQQLILEGV-UHFFFAOYSA-N 1 0 237.293 3.510 20 30 BHEDRO C=CCC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000540458422 324901238 /nfs/dbraw/zinc/90/12/38/324901238.db2.gz NNRQVZLIGDSICR-UHFFFAOYSA-N 1 0 237.293 3.510 20 30 BHEDRO CCCC1CCC(CN(CC#N)C2CC2)CC1 ZINC000540506828 388808914 /nfs/dbraw/zinc/80/89/14/388808914.db2.gz VCTIXODXCUXERQ-UHFFFAOYSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CC1(C#N)CC1 ZINC000540550141 388809969 /nfs/dbraw/zinc/80/99/69/388809969.db2.gz QYOFUVWVPFFVMZ-AWEZNQCLSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CC1(C#N)CC1 ZINC000540550145 388809663 /nfs/dbraw/zinc/80/96/63/388809663.db2.gz QYOFUVWVPFFVMZ-CQSZACIVSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000540592188 385181323 /nfs/dbraw/zinc/18/13/23/385181323.db2.gz VCHZWISNBLAGLD-DOMZBBRYSA-N 1 0 246.354 3.600 20 30 BHEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000540592189 324907416 /nfs/dbraw/zinc/90/74/16/324907416.db2.gz VCHZWISNBLAGLD-IUODEOHRSA-N 1 0 246.354 3.600 20 30 BHEDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000540592190 385180221 /nfs/dbraw/zinc/18/02/21/385180221.db2.gz VCHZWISNBLAGLD-SWLSCSKDSA-N 1 0 246.354 3.600 20 30 BHEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000540592191 385180982 /nfs/dbraw/zinc/18/09/82/385180982.db2.gz VCHZWISNBLAGLD-WFASDCNBSA-N 1 0 246.354 3.600 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C(C)(C)C2CC2)c1 ZINC000540627154 388811984 /nfs/dbraw/zinc/81/19/84/388811984.db2.gz FYWHVDWOHIUXLF-UHFFFAOYSA-N 1 0 245.366 3.530 20 30 BHEDRO CC(C)(C#N)CC[N@H+](CC1CC1)C1CCCCC1 ZINC000540665106 388813892 /nfs/dbraw/zinc/81/38/92/388813892.db2.gz VIEPKNHTRSKTNQ-UHFFFAOYSA-N 1 0 248.414 3.971 20 30 BHEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000540665573 388813116 /nfs/dbraw/zinc/81/31/16/388813116.db2.gz RNWPENCXNXNCDG-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000540665574 388813847 /nfs/dbraw/zinc/81/38/47/388813847.db2.gz RNWPENCXNXNCDG-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000540665575 388813586 /nfs/dbraw/zinc/81/35/86/388813586.db2.gz RNWPENCXNXNCDG-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000540665576 388812806 /nfs/dbraw/zinc/81/28/06/388812806.db2.gz RNWPENCXNXNCDG-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[N@H+](CCC1CCCCC1)CCC(C)(C)C#N ZINC000540666238 388813549 /nfs/dbraw/zinc/81/35/49/388813549.db2.gz ANHJQHUXXFICMK-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCC(C)(C)C#N ZINC000540666835 388813889 /nfs/dbraw/zinc/81/38/89/388813889.db2.gz GIDZRJHINIIAKL-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCC(C)(C)C#N ZINC000540667885 388813156 /nfs/dbraw/zinc/81/31/56/388813156.db2.gz PCFQNURPHKMNLW-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCC(C)(C)C#N ZINC000540667888 388812690 /nfs/dbraw/zinc/81/26/90/388812690.db2.gz PCFQNURPHKMNLW-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(C)(C)C#N ZINC000540667890 388812983 /nfs/dbraw/zinc/81/29/83/388812983.db2.gz PCFQNURPHKMNLW-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCC(C)(C)C#N ZINC000540667892 388813905 /nfs/dbraw/zinc/81/39/05/388813905.db2.gz PCFQNURPHKMNLW-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC(CC)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000540668303 388813594 /nfs/dbraw/zinc/81/35/94/388813594.db2.gz WFLZCRUQTMLRQE-UHFFFAOYSA-N 1 0 222.376 3.579 20 30 BHEDRO CCCCC[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000540686444 388815419 /nfs/dbraw/zinc/81/54/19/388815419.db2.gz LZHXOUWYUDFWLC-AWEZNQCLSA-N 1 0 236.403 3.971 20 30 BHEDRO CCCCC[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000540686445 388815794 /nfs/dbraw/zinc/81/57/94/388815794.db2.gz LZHXOUWYUDFWLC-CQSZACIVSA-N 1 0 236.403 3.971 20 30 BHEDRO CC[N@H+](CCC(C)(C)C#N)Cc1ccc(C)cc1 ZINC000540687632 388815464 /nfs/dbraw/zinc/81/54/64/388815464.db2.gz MUZKUOKUFQRJHF-UHFFFAOYSA-N 1 0 244.382 3.757 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540706209 385196795 /nfs/dbraw/zinc/19/67/95/385196795.db2.gz FAFGBLFHJZMZIK-NEPJUHHUSA-N 1 0 248.345 3.783 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540706212 324914278 /nfs/dbraw/zinc/91/42/78/324914278.db2.gz FAFGBLFHJZMZIK-NWDGAFQWSA-N 1 0 248.345 3.783 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540706213 324914394 /nfs/dbraw/zinc/91/43/94/324914394.db2.gz FAFGBLFHJZMZIK-RYUDHWBXSA-N 1 0 248.345 3.783 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540706215 324914319 /nfs/dbraw/zinc/91/43/19/324914319.db2.gz FAFGBLFHJZMZIK-VXGBXAGGSA-N 1 0 248.345 3.783 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540707347 385199462 /nfs/dbraw/zinc/19/94/62/385199462.db2.gz VSXFBWKZZNWPFU-QJPTWQEYSA-N 1 0 248.345 3.783 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540707348 324914399 /nfs/dbraw/zinc/91/43/99/324914399.db2.gz VSXFBWKZZNWPFU-SDDRHHMPSA-N 1 0 248.345 3.783 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540707349 385199504 /nfs/dbraw/zinc/19/95/04/385199504.db2.gz VSXFBWKZZNWPFU-SRVKXCTJSA-N 1 0 248.345 3.783 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540707350 385199084 /nfs/dbraw/zinc/19/90/84/385199084.db2.gz VSXFBWKZZNWPFU-TUAOUCFPSA-N 1 0 248.345 3.783 20 30 BHEDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540709027 385196320 /nfs/dbraw/zinc/19/63/20/385196320.db2.gz XDFOAQIDBSKUHF-NEPJUHHUSA-N 1 0 248.345 3.640 20 30 BHEDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540709028 324914136 /nfs/dbraw/zinc/91/41/36/324914136.db2.gz XDFOAQIDBSKUHF-NWDGAFQWSA-N 1 0 248.345 3.640 20 30 BHEDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540709029 385199037 /nfs/dbraw/zinc/19/90/37/385199037.db2.gz XDFOAQIDBSKUHF-RYUDHWBXSA-N 1 0 248.345 3.640 20 30 BHEDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540709030 324914229 /nfs/dbraw/zinc/91/42/29/324914229.db2.gz XDFOAQIDBSKUHF-VXGBXAGGSA-N 1 0 248.345 3.640 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+]CCC(C)(C)C#N)c1 ZINC000540715713 324914183 /nfs/dbraw/zinc/91/41/83/324914183.db2.gz ZRNQEMVRIQQHKH-AWEZNQCLSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCC(C)(C)C#N)c1 ZINC000540715714 324914232 /nfs/dbraw/zinc/91/42/32/324914232.db2.gz ZRNQEMVRIQQHKH-CQSZACIVSA-N 1 0 244.382 3.894 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000540890114 388821933 /nfs/dbraw/zinc/82/19/33/388821933.db2.gz RCCJGMYKAGAWOP-AWEZNQCLSA-N 1 0 247.357 3.971 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000540890115 388822986 /nfs/dbraw/zinc/82/29/86/388822986.db2.gz RCCJGMYKAGAWOP-CQSZACIVSA-N 1 0 247.357 3.971 20 30 BHEDRO C=CC[N@@H+](CCc1ccco1)CCC(C)(C)C ZINC000540915271 388826054 /nfs/dbraw/zinc/82/60/54/388826054.db2.gz CRBSBEPMPPMEQD-UHFFFAOYSA-N 1 0 235.371 3.746 20 30 BHEDRO C=CCSCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000540977064 324939062 /nfs/dbraw/zinc/93/90/62/324939062.db2.gz LBFDTKKIECZUHB-WYMLVPIESA-N 1 0 247.407 3.599 20 30 BHEDRO N#CCC1CC[NH+](CC2CCCCCC2)CC1 ZINC000540994912 388834848 /nfs/dbraw/zinc/83/48/48/388834848.db2.gz JWPAORGFUGGMFY-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC[C@@H](c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000541023336 324942775 /nfs/dbraw/zinc/94/27/75/324942775.db2.gz PELLWQOLROBGIS-INIZCTEOSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@H](c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000541023342 324942705 /nfs/dbraw/zinc/94/27/05/324942705.db2.gz PELLWQOLROBGIS-MRXNPFEDSA-N 1 0 242.366 3.763 20 30 BHEDRO C=CCCC[N@@H+](C)CCCc1ccsc1 ZINC000541173480 388842557 /nfs/dbraw/zinc/84/25/57/388842557.db2.gz QLNBTOHCXGZGEO-UHFFFAOYSA-N 1 0 223.385 3.579 20 30 BHEDRO C=CC1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000541224023 324951125 /nfs/dbraw/zinc/95/11/25/324951125.db2.gz QOBQMWSFIJIWDS-GFCCVEGCSA-N 1 0 235.396 3.577 20 30 BHEDRO C=CC1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000541224026 388845300 /nfs/dbraw/zinc/84/53/00/388845300.db2.gz QOBQMWSFIJIWDS-LBPRGKRZSA-N 1 0 235.396 3.577 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000541314536 388847611 /nfs/dbraw/zinc/84/76/11/388847611.db2.gz FSMIBPRSRCYYII-AWEZNQCLSA-N 1 0 234.387 3.604 20 30 BHEDRO C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CC=CCC1 ZINC000541314541 388847927 /nfs/dbraw/zinc/84/79/27/388847927.db2.gz FSMIBPRSRCYYII-CQSZACIVSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CCC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000541319998 388848717 /nfs/dbraw/zinc/84/87/17/388848717.db2.gz SKNJBPUKYILKRJ-BBRMVZONSA-N 1 0 245.366 3.654 20 30 BHEDRO C=CCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000541320000 388848434 /nfs/dbraw/zinc/84/84/34/388848434.db2.gz SKNJBPUKYILKRJ-CJNGLKHVSA-N 1 0 245.366 3.654 20 30 BHEDRO C=CCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000541320001 388848219 /nfs/dbraw/zinc/84/82/19/388848219.db2.gz SKNJBPUKYILKRJ-CZUORRHYSA-N 1 0 245.366 3.654 20 30 BHEDRO C=CCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000541320003 388847964 /nfs/dbraw/zinc/84/79/64/388847964.db2.gz SKNJBPUKYILKRJ-XJKSGUPXSA-N 1 0 245.366 3.654 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000541388136 388849933 /nfs/dbraw/zinc/84/99/33/388849933.db2.gz WNRYFMOTDARHCM-HNNXBMFYSA-N 1 0 229.367 3.669 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000541388137 388849689 /nfs/dbraw/zinc/84/96/89/388849689.db2.gz WNRYFMOTDARHCM-OAHLLOKOSA-N 1 0 229.367 3.669 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)CCc1ccccc1O ZINC000541389137 388850499 /nfs/dbraw/zinc/85/04/99/388850499.db2.gz NVIXAYWZIDSMQJ-AWEZNQCLSA-N 1 0 247.382 3.611 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)CCc1ccccc1O ZINC000541389138 388850311 /nfs/dbraw/zinc/85/03/11/388850311.db2.gz NVIXAYWZIDSMQJ-CQSZACIVSA-N 1 0 247.382 3.611 20 30 BHEDRO CC[C@@H]1CCC[C@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000541555723 324964203 /nfs/dbraw/zinc/96/42/03/324964203.db2.gz IFUUUAHNPMXORM-CABCVRRESA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@H]1CCC[C@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000541555724 324964282 /nfs/dbraw/zinc/96/42/82/324964282.db2.gz IFUUUAHNPMXORM-GJZGRUSLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCC[C@@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000541555725 388856773 /nfs/dbraw/zinc/85/67/73/388856773.db2.gz IFUUUAHNPMXORM-HUUCEWRRSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@H]1CCC[C@@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000541555726 388857178 /nfs/dbraw/zinc/85/71/78/388857178.db2.gz IFUUUAHNPMXORM-LSDHHAIUSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000541559671 388857020 /nfs/dbraw/zinc/85/70/20/388857020.db2.gz BPAVLLWINZNVMD-ILXRZTDVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000541559672 388857104 /nfs/dbraw/zinc/85/71/04/388857104.db2.gz BPAVLLWINZNVMD-KFWWJZLASA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000541559673 388856185 /nfs/dbraw/zinc/85/61/85/388856185.db2.gz BPAVLLWINZNVMD-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000541559674 324964956 /nfs/dbraw/zinc/96/49/56/324964956.db2.gz BPAVLLWINZNVMD-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO N#CCCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000541571188 388858910 /nfs/dbraw/zinc/85/89/10/388858910.db2.gz PGHDGEZBNQXOTI-AWEZNQCLSA-N 1 0 248.757 3.611 20 30 BHEDRO N#CCCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000541571193 388858997 /nfs/dbraw/zinc/85/89/97/388858997.db2.gz PGHDGEZBNQXOTI-CQSZACIVSA-N 1 0 248.757 3.611 20 30 BHEDRO C=CCCCCC[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000541576203 388858589 /nfs/dbraw/zinc/85/85/89/388858589.db2.gz CGDKESOJFJVZTC-HNNXBMFYSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCCCCC[N@@H+](C)CC[C@H]1CCCCO1 ZINC000541576204 388858656 /nfs/dbraw/zinc/85/86/56/388858656.db2.gz CGDKESOJFJVZTC-OAHLLOKOSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CC[NH+](CC=C)C[C@@H](C)Cc1ccccc1 ZINC000541589013 324966652 /nfs/dbraw/zinc/96/66/52/324966652.db2.gz UNCLMPMBBACYBO-HNNXBMFYSA-N 1 0 229.367 3.539 20 30 BHEDRO C=CC[NH+](CC=C)C[C@H](C)Cc1ccccc1 ZINC000541589014 388857742 /nfs/dbraw/zinc/85/77/42/388857742.db2.gz UNCLMPMBBACYBO-OAHLLOKOSA-N 1 0 229.367 3.539 20 30 BHEDRO CCCC[C@H]([NH2+]CCC(C)(C)C#N)C1CCC1 ZINC000541594047 324967557 /nfs/dbraw/zinc/96/75/57/324967557.db2.gz NDNYYKYCJKCEHV-AWEZNQCLSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H]([NH2+]CCC(C)(C)C#N)C1CCC1 ZINC000541594048 324967730 /nfs/dbraw/zinc/96/77/30/324967730.db2.gz NDNYYKYCJKCEHV-CQSZACIVSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000541701797 388864438 /nfs/dbraw/zinc/86/44/38/388864438.db2.gz PKNZLWPSYAKYAM-UHFFFAOYSA-N 1 0 229.367 3.708 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC000541764689 324978911 /nfs/dbraw/zinc/97/89/11/324978911.db2.gz JYQJBBVRGNQQFE-NFOMZHRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC000541764690 324979104 /nfs/dbraw/zinc/97/91/04/324979104.db2.gz JYQJBBVRGNQQFE-WLYUNCDWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000541772161 388867650 /nfs/dbraw/zinc/86/76/50/388867650.db2.gz UPVQJKGRLSOMQW-KKUMJFAQSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000541772162 324978867 /nfs/dbraw/zinc/97/88/67/324978867.db2.gz UPVQJKGRLSOMQW-RRFJBIMHSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000541772163 324978956 /nfs/dbraw/zinc/97/89/56/324978956.db2.gz UPVQJKGRLSOMQW-SOUVJXGZSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000541772164 388867426 /nfs/dbraw/zinc/86/74/26/388867426.db2.gz UPVQJKGRLSOMQW-ZNMIVQPWSA-N 1 0 239.403 3.524 20 30 BHEDRO C[C@@H](C#N)C[N@@H+](C)C[C@@H](C)CC1CCCCC1 ZINC000541774960 388867636 /nfs/dbraw/zinc/86/76/36/388867636.db2.gz NQDHWXVJGAEJKG-KBPBESRZSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H](C#N)C[N@@H+](C)C[C@H](C)CC1CCCCC1 ZINC000541774962 388866793 /nfs/dbraw/zinc/86/67/93/388866793.db2.gz NQDHWXVJGAEJKG-KGLIPLIRSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H](C#N)C[N@@H+](C)C[C@@H](C)CC1CCCCC1 ZINC000541774964 388866810 /nfs/dbraw/zinc/86/68/10/388866810.db2.gz NQDHWXVJGAEJKG-UONOGXRCSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H](CC1CCCCC1)C[N@H+](C)C[C@H](C)C#N ZINC000541774966 388867169 /nfs/dbraw/zinc/86/71/69/388867169.db2.gz NQDHWXVJGAEJKG-ZIAGYGMSSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000541872769 388871601 /nfs/dbraw/zinc/87/16/01/388871601.db2.gz IHFFODGUDLSPOI-JNSOCZORSA-N 1 0 227.351 3.740 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000541872770 388871501 /nfs/dbraw/zinc/87/15/01/388871501.db2.gz IHFFODGUDLSPOI-LPQFERQCSA-N 1 0 227.351 3.740 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000541872771 388872429 /nfs/dbraw/zinc/87/24/29/388872429.db2.gz IHFFODGUDLSPOI-PCUGXKRQSA-N 1 0 227.351 3.740 20 30 BHEDRO C=CCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000541872772 388871864 /nfs/dbraw/zinc/87/18/64/388871864.db2.gz IHFFODGUDLSPOI-YUQCYMQKSA-N 1 0 227.351 3.740 20 30 BHEDRO CC1(C)CCC[C@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000541881077 323160116 /nfs/dbraw/zinc/16/01/16/323160116.db2.gz BOFRGTOHCYTNTF-AWEZNQCLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC[C@@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000541881078 323160120 /nfs/dbraw/zinc/16/01/20/323160120.db2.gz BOFRGTOHCYTNTF-CQSZACIVSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000541904729 323162858 /nfs/dbraw/zinc/16/28/58/323162858.db2.gz AAXSCBPFPCGZEH-GFCCVEGCSA-N 1 0 248.345 3.784 20 30 BHEDRO CC(C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000541904730 323162815 /nfs/dbraw/zinc/16/28/15/323162815.db2.gz AAXSCBPFPCGZEH-LBPRGKRZSA-N 1 0 248.345 3.784 20 30 BHEDRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(C#N)cc1F ZINC000541904732 324993323 /nfs/dbraw/zinc/99/33/23/324993323.db2.gz AXPBFMZKTMZBQM-LLVKDONJSA-N 1 0 248.345 3.784 20 30 BHEDRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc(C#N)cc1F ZINC000541904733 324993259 /nfs/dbraw/zinc/99/32/59/324993259.db2.gz AXPBFMZKTMZBQM-NSHDSACASA-N 1 0 248.345 3.784 20 30 BHEDRO CC1(C)CCC[C@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000541921217 388877751 /nfs/dbraw/zinc/87/77/51/388877751.db2.gz YCGOATUGCOVDNV-HNNXBMFYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC[C@@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000541921218 388877365 /nfs/dbraw/zinc/87/73/65/388877365.db2.gz YCGOATUGCOVDNV-OAHLLOKOSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)CC(CC)(CC)CC ZINC000542019771 325004449 /nfs/dbraw/zinc/00/44/49/325004449.db2.gz HKCCTHRKDLYDMK-CYBMUJFWSA-N 1 0 224.392 3.684 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)CC(CC)(CC)CC ZINC000542019775 325004485 /nfs/dbraw/zinc/00/44/85/325004485.db2.gz HKCCTHRKDLYDMK-ZDUSSCGKSA-N 1 0 224.392 3.684 20 30 BHEDRO CCC(CC)(CC)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000542020244 325004688 /nfs/dbraw/zinc/00/46/88/325004688.db2.gz VSTYONKNWHDKPP-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO CCC(CC)(CC)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000542020245 325004658 /nfs/dbraw/zinc/00/46/58/325004658.db2.gz VSTYONKNWHDKPP-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCc1ccsc1 ZINC000542091482 325008495 /nfs/dbraw/zinc/00/84/95/325008495.db2.gz FYVUQZNTCIZRNS-UHFFFAOYSA-N 1 0 223.385 3.579 20 30 BHEDRO C=C1CC[NH+](CCCc2ccc(C)cc2)CC1 ZINC000542278866 325018644 /nfs/dbraw/zinc/01/86/44/325018644.db2.gz TYDNJZOLAOMZOE-UHFFFAOYSA-N 1 0 229.367 3.580 20 30 BHEDRO C=C1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542282724 325018854 /nfs/dbraw/zinc/01/88/54/325018854.db2.gz YVNPKAPBAKOZCB-HNNXBMFYSA-N 1 0 247.769 3.979 20 30 BHEDRO C=C1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542282725 325018824 /nfs/dbraw/zinc/01/88/24/325018824.db2.gz YVNPKAPBAKOZCB-OAHLLOKOSA-N 1 0 247.769 3.979 20 30 BHEDRO CCCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542317185 325019286 /nfs/dbraw/zinc/01/92/86/325019286.db2.gz CLOWTWUKQIPUQO-UHFFFAOYSA-N 1 0 242.366 3.713 20 30 BHEDRO CC[C@@H]1CCC[C@H](C[N@H+](CC)C[C@H](C)C#N)C1 ZINC000542464386 325028052 /nfs/dbraw/zinc/02/80/52/325028052.db2.gz GKZOHQZLFGBZFA-KFWWJZLASA-N 1 0 236.403 3.684 20 30 BHEDRO CC[C@@H]1CCC[C@@H](C[N@H+](CC)C[C@H](C)C#N)C1 ZINC000542464387 325028414 /nfs/dbraw/zinc/02/84/14/325028414.db2.gz GKZOHQZLFGBZFA-RBSFLKMASA-N 1 0 236.403 3.684 20 30 BHEDRO CC[C@@H]1CCC[C@@H](C[N@H+](CC)C[C@@H](C)C#N)C1 ZINC000542464388 325028067 /nfs/dbraw/zinc/02/80/67/325028067.db2.gz GKZOHQZLFGBZFA-RRFJBIMHSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[C@@H]1CCC[C@H](C[N@H+](CC)C[C@@H](C)C#N)C1 ZINC000542464389 325029161 /nfs/dbraw/zinc/02/91/61/325029161.db2.gz GKZOHQZLFGBZFA-ZNMIVQPWSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[C@@H]1CCC[C@@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000542486936 325030594 /nfs/dbraw/zinc/03/05/94/325030594.db2.gz WFNSAEJHFXKUFU-GDBMZVCRSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@H]1CCC[C@@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000542486937 325030622 /nfs/dbraw/zinc/03/06/22/325030622.db2.gz WFNSAEJHFXKUFU-GOEBONIOSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@H]1CCC[C@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000542486938 325030162 /nfs/dbraw/zinc/03/01/62/325030162.db2.gz WFNSAEJHFXKUFU-HOCLYGCPSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCC[C@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000542486940 325030551 /nfs/dbraw/zinc/03/05/51/325030551.db2.gz WFNSAEJHFXKUFU-ZBFHGGJFSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCCOCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000542494106 325030976 /nfs/dbraw/zinc/03/09/76/325030976.db2.gz ITLNHLMCGRXOHN-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCOCC[NH2+][C@H](C)C1CCCCCC1 ZINC000542494107 325031364 /nfs/dbraw/zinc/03/13/64/325031364.db2.gz ITLNHLMCGRXOHN-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO CCCCc1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000542499074 325031276 /nfs/dbraw/zinc/03/12/76/325031276.db2.gz NVBYSIBEHRGXDG-AWEZNQCLSA-N 1 0 244.382 3.984 20 30 BHEDRO CCCCc1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000542499075 325031441 /nfs/dbraw/zinc/03/14/41/325031441.db2.gz NVBYSIBEHRGXDG-CQSZACIVSA-N 1 0 244.382 3.984 20 30 BHEDRO CC(C)(C#N)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000542512495 325032699 /nfs/dbraw/zinc/03/26/99/325032699.db2.gz PXIBXOMXEARBGO-CYBMUJFWSA-N 1 0 248.395 3.729 20 30 BHEDRO CC(C)(C#N)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000542512496 325032445 /nfs/dbraw/zinc/03/24/45/325032445.db2.gz PXIBXOMXEARBGO-ZDUSSCGKSA-N 1 0 248.395 3.729 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000542538347 325034156 /nfs/dbraw/zinc/03/41/56/325034156.db2.gz OPDCBADOIWYWTC-CHWSQXEVSA-N 1 0 249.785 3.716 20 30 BHEDRO CC[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000542538360 325034054 /nfs/dbraw/zinc/03/40/54/325034054.db2.gz OPDCBADOIWYWTC-OLZOCXBDSA-N 1 0 249.785 3.716 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000542538361 325031599 /nfs/dbraw/zinc/03/15/99/325031599.db2.gz OPDCBADOIWYWTC-QWHCGFSZSA-N 1 0 249.785 3.716 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000542538363 325031801 /nfs/dbraw/zinc/03/18/01/325031801.db2.gz OPDCBADOIWYWTC-STQMWFEESA-N 1 0 249.785 3.716 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000542542051 325034170 /nfs/dbraw/zinc/03/41/70/325034170.db2.gz MKRJFJDOHFECLK-CHWSQXEVSA-N 1 0 249.785 3.716 20 30 BHEDRO CC[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000542542052 325034214 /nfs/dbraw/zinc/03/42/14/325034214.db2.gz MKRJFJDOHFECLK-OLZOCXBDSA-N 1 0 249.785 3.716 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000542542053 325034149 /nfs/dbraw/zinc/03/41/49/325034149.db2.gz MKRJFJDOHFECLK-QWHCGFSZSA-N 1 0 249.785 3.716 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000542542054 325033895 /nfs/dbraw/zinc/03/38/95/325033895.db2.gz MKRJFJDOHFECLK-STQMWFEESA-N 1 0 249.785 3.716 20 30 BHEDRO C=CCC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000542546934 325034943 /nfs/dbraw/zinc/03/49/43/325034943.db2.gz NXSSMOOHPRGIMV-HNNXBMFYSA-N 1 0 235.346 3.559 20 30 BHEDRO C=CCC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000542546935 325034765 /nfs/dbraw/zinc/03/47/65/325034765.db2.gz NXSSMOOHPRGIMV-OAHLLOKOSA-N 1 0 235.346 3.559 20 30 BHEDRO C=CC[N@@H+]([C@H](C)CCc1cccc(F)c1)C1CC1 ZINC000542693778 325042588 /nfs/dbraw/zinc/04/25/88/325042588.db2.gz WQBIWYAECRVKJY-CYBMUJFWSA-N 1 0 247.357 3.797 20 30 BHEDRO C=CC[N@@H+]([C@@H](C)CCc1cccc(F)c1)C1CC1 ZINC000542693779 325042143 /nfs/dbraw/zinc/04/21/43/325042143.db2.gz WQBIWYAECRVKJY-ZDUSSCGKSA-N 1 0 247.357 3.797 20 30 BHEDRO N#CCC1CC[NH+](CCCC2CCCC2)CC1 ZINC000542879205 325060243 /nfs/dbraw/zinc/06/02/43/325060243.db2.gz LOGRFPYFAPWDDL-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=C(C)C[N@@H+]1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000542919808 325062940 /nfs/dbraw/zinc/06/29/40/325062940.db2.gz MEPYFKBJNSAYKP-STQMWFEESA-N 1 0 245.366 3.579 20 30 BHEDRO C=CC1CC[NH+](CCCc2ccsc2)CC1 ZINC000543033169 325068614 /nfs/dbraw/zinc/06/86/14/325068614.db2.gz FDAOEVMWCNBRBN-UHFFFAOYSA-N 1 0 235.396 3.579 20 30 BHEDRO C=CC[NH+](CC=C)[C@@H](C)CCc1cccc(F)c1 ZINC000543058866 325069662 /nfs/dbraw/zinc/06/96/62/325069662.db2.gz QVOIVBPIYYRJCB-AWEZNQCLSA-N 1 0 247.357 3.821 20 30 BHEDRO C=CC[NH+](CC=C)[C@H](C)CCc1cccc(F)c1 ZINC000543058867 325069704 /nfs/dbraw/zinc/06/97/04/325069704.db2.gz QVOIVBPIYYRJCB-CQSZACIVSA-N 1 0 247.357 3.821 20 30 BHEDRO C=C1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000543088609 325071104 /nfs/dbraw/zinc/07/11/04/325071104.db2.gz NFMSMESSMNNKEV-AWEZNQCLSA-N 1 0 247.357 3.799 20 30 BHEDRO C=C1CC[NH+]([C@H](C)CCc2cccc(F)c2)CC1 ZINC000543088610 325071006 /nfs/dbraw/zinc/07/10/06/325071006.db2.gz NFMSMESSMNNKEV-CQSZACIVSA-N 1 0 247.357 3.799 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000543253615 325078799 /nfs/dbraw/zinc/07/87/99/325078799.db2.gz QNGGUYQUUNYAHF-INIZCTEOSA-N 1 0 229.367 3.751 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000543253616 325078663 /nfs/dbraw/zinc/07/86/63/325078663.db2.gz QNGGUYQUUNYAHF-MRXNPFEDSA-N 1 0 229.367 3.751 20 30 BHEDRO CC[C@@H]1CCC[C@H](C[N@H+](CCC#N)C(C)C)C1 ZINC000543395148 325085910 /nfs/dbraw/zinc/08/59/10/325085910.db2.gz UDOKDSAYRASDPD-CABCVRRESA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@H]1CCC[C@H](C[N@H+](CCC#N)C(C)C)C1 ZINC000543395149 325086034 /nfs/dbraw/zinc/08/60/34/325086034.db2.gz UDOKDSAYRASDPD-GJZGRUSLSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H]1CCC[C@@H](C[N@H+](CCC#N)C(C)C)C1 ZINC000543395150 325085831 /nfs/dbraw/zinc/08/58/31/325085831.db2.gz UDOKDSAYRASDPD-HUUCEWRRSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@H]1CCC[C@@H](C[N@H+](CCC#N)C(C)C)C1 ZINC000543395152 325086137 /nfs/dbraw/zinc/08/61/37/325086137.db2.gz UDOKDSAYRASDPD-LSDHHAIUSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[C@@H]1CCC[C@H](C[N@H+](C[C@H](C)C#N)C2CC2)C1 ZINC000543395658 325085966 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C[C@H](CC1CCCCC1)C[N@H+](C)[C@@H](C)CC#N ZINC000544606405 325152008 /nfs/dbraw/zinc/15/20/08/325152008.db2.gz RNSNDRQYHMFLIS-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H](CC#N)[N@@H+](C)C[C@@H](C)CC1CCCCC1 ZINC000544606406 325151882 /nfs/dbraw/zinc/15/18/82/325151882.db2.gz RNSNDRQYHMFLIS-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H](CC1CCCCC1)C[N@H+](C)[C@H](C)CC#N ZINC000544606407 325151614 /nfs/dbraw/zinc/15/16/14/325151614.db2.gz RNSNDRQYHMFLIS-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000544616002 325152613 /nfs/dbraw/zinc/15/26/13/325152613.db2.gz UGOQGKMUESZLGN-CYBMUJFWSA-N 1 0 245.366 3.629 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000544616013 325152466 /nfs/dbraw/zinc/15/24/66/325152466.db2.gz UGOQGKMUESZLGN-ZDUSSCGKSA-N 1 0 245.366 3.629 20 30 BHEDRO CCC[C@@H](CCc1ccccc1)[NH2+]CCCC#N ZINC000545192144 325187545 /nfs/dbraw/zinc/18/75/45/325187545.db2.gz UNKCSHXDFSPALH-INIZCTEOSA-N 1 0 244.382 3.681 20 30 BHEDRO CCC[C@H](CCc1ccccc1)[NH2+]CCCC#N ZINC000545192145 325187604 /nfs/dbraw/zinc/18/76/04/325187604.db2.gz UNKCSHXDFSPALH-MRXNPFEDSA-N 1 0 244.382 3.681 20 30 BHEDRO CCC[C@H](CCc1ccccc1)[NH2+]C[C@H](C)C#N ZINC000545192267 325187528 /nfs/dbraw/zinc/18/75/28/325187528.db2.gz VRBFBBXTAAOQAT-GDBMZVCRSA-N 1 0 244.382 3.537 20 30 BHEDRO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)C#N ZINC000545192268 325187782 /nfs/dbraw/zinc/18/77/82/325187782.db2.gz VRBFBBXTAAOQAT-GOEBONIOSA-N 1 0 244.382 3.537 20 30 BHEDRO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)C#N ZINC000545192269 325187682 /nfs/dbraw/zinc/18/76/82/325187682.db2.gz VRBFBBXTAAOQAT-HOCLYGCPSA-N 1 0 244.382 3.537 20 30 BHEDRO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)C#N ZINC000545192270 325187661 /nfs/dbraw/zinc/18/76/61/325187661.db2.gz VRBFBBXTAAOQAT-ZBFHGGJFSA-N 1 0 244.382 3.537 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000545330675 325214545 /nfs/dbraw/zinc/21/45/45/325214545.db2.gz JZAZHAUWWGSXNI-LLVKDONJSA-N 1 0 223.747 3.909 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000545330676 325214421 /nfs/dbraw/zinc/21/44/21/325214421.db2.gz JZAZHAUWWGSXNI-NSHDSACASA-N 1 0 223.747 3.909 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000545875631 325240954 /nfs/dbraw/zinc/24/09/54/325240954.db2.gz NHBFCVDYVVONCC-DZGCQCFKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000545875642 325240968 /nfs/dbraw/zinc/24/09/68/325240968.db2.gz NHBFCVDYVVONCC-HIFRSBDPSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000545875643 325241166 /nfs/dbraw/zinc/24/11/66/325241166.db2.gz NHBFCVDYVVONCC-UKRRQHHQSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000545875644 325241181 /nfs/dbraw/zinc/24/11/81/325241181.db2.gz NHBFCVDYVVONCC-ZFWWWQNUSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C1(CC)CCOCC1 ZINC000545898881 325244492 /nfs/dbraw/zinc/24/44/92/325244492.db2.gz JNCTWHJOMXAPHY-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C1(CC)CCOCC1 ZINC000545898882 325244409 /nfs/dbraw/zinc/24/44/09/325244409.db2.gz JNCTWHJOMXAPHY-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO Cc1cccc(C)c1[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000546227015 325272037 /nfs/dbraw/zinc/27/20/37/325272037.db2.gz MUSLMIUMMSQBHD-AWEZNQCLSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000546227016 325272075 /nfs/dbraw/zinc/27/20/75/325272075.db2.gz MUSLMIUMMSQBHD-CQSZACIVSA-N 1 0 244.382 3.894 20 30 BHEDRO CCC1(C[NH2+]Cc2ccc(C#N)o2)CCCCC1 ZINC000546578080 325288546 /nfs/dbraw/zinc/28/85/46/325288546.db2.gz DGTZUHDTCRZESF-UHFFFAOYSA-N 1 0 246.354 3.601 20 30 BHEDRO CCCC1CCC(C[NH2+][C@@H](CC)CC#N)CC1 ZINC000546582305 325288557 /nfs/dbraw/zinc/28/85/57/325288557.db2.gz SVHHZARIDFCAEM-NRXISQOPSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC1CCC(C[NH2+][C@H](CC)CC#N)CC1 ZINC000546582306 325288450 /nfs/dbraw/zinc/28/84/50/325288450.db2.gz SVHHZARIDFCAEM-YMAMQOFZSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCC[N@@H+](CCC)CCc1cccs1 ZINC000546630732 325296077 /nfs/dbraw/zinc/29/60/77/325296077.db2.gz BJZLQRXBTQDWDA-UHFFFAOYSA-N 1 0 223.385 3.579 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000546743432 323171013 /nfs/dbraw/zinc/17/10/13/323171013.db2.gz BFGMVIGUTONTEZ-UHFFFAOYSA-N 1 0 225.335 3.848 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)CC1(C)C ZINC000546831559 325314642 /nfs/dbraw/zinc/31/46/42/325314642.db2.gz PYVRNQIDPDHMFV-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)CC1(C)C ZINC000546831562 325314269 /nfs/dbraw/zinc/31/42/69/325314269.db2.gz PYVRNQIDPDHMFV-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO CCCC[C@H](CC)C[N@H+](CCC#N)CC1CC1 ZINC000546934540 325319369 /nfs/dbraw/zinc/31/93/69/325319369.db2.gz ATLIBPPFGREBMH-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO CCCC[C@@H](CC)C[N@H+](CCC#N)CC1CC1 ZINC000546934541 325319283 /nfs/dbraw/zinc/31/92/83/325319283.db2.gz ATLIBPPFGREBMH-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000547288391 325335787 /nfs/dbraw/zinc/33/57/87/325335787.db2.gz VNHWCYSDVOCYJI-GBJTYRQASA-N 1 0 236.403 3.729 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000547288392 325335828 /nfs/dbraw/zinc/33/58/28/325335828.db2.gz VNHWCYSDVOCYJI-KBUPBQIOSA-N 1 0 236.403 3.729 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000547288393 325335673 /nfs/dbraw/zinc/33/56/73/325335673.db2.gz VNHWCYSDVOCYJI-TUVASFSCSA-N 1 0 236.403 3.729 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000547288394 325335862 /nfs/dbraw/zinc/33/58/62/325335862.db2.gz VNHWCYSDVOCYJI-YJNKXOJESA-N 1 0 236.403 3.729 20 30 BHEDRO CC(C)(C#N)CC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000547345114 325345373 /nfs/dbraw/zinc/34/53/73/325345373.db2.gz RFZXUPXGKLINIL-UHFFFAOYSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000547347690 325346020 /nfs/dbraw/zinc/34/60/20/325346020.db2.gz GYEMBIRMZWJHIT-INIZCTEOSA-N 1 0 229.367 3.660 20 30 BHEDRO C=CCC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000547347691 325345732 /nfs/dbraw/zinc/34/57/32/325345732.db2.gz GYEMBIRMZWJHIT-MRXNPFEDSA-N 1 0 229.367 3.660 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000547395908 325350816 /nfs/dbraw/zinc/35/08/16/325350816.db2.gz SSJLQDQESSZCAB-IUDNXUCKSA-N 1 0 229.367 3.877 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000547395909 323196209 /nfs/dbraw/zinc/19/62/09/323196209.db2.gz SSJLQDQESSZCAB-JEYLPNPQSA-N 1 0 229.367 3.877 20 30 BHEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000547509679 325366598 /nfs/dbraw/zinc/36/65/98/325366598.db2.gz QEYSGIMBKBOBCE-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000547509680 325366424 /nfs/dbraw/zinc/36/64/24/325366424.db2.gz QEYSGIMBKBOBCE-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000547509681 325366365 /nfs/dbraw/zinc/36/63/65/325366365.db2.gz QEYSGIMBKBOBCE-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000547509682 325366606 /nfs/dbraw/zinc/36/66/06/325366606.db2.gz QEYSGIMBKBOBCE-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[N@H+](CCC(C)(C)C#N)[C@H]1CCCC[C@H]1C ZINC000547747760 325391165 /nfs/dbraw/zinc/39/11/65/325391165.db2.gz BSCCZHHWLKAMHM-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO CC[N@H+](CCC(C)(C)C#N)[C@@H]1CCCC[C@H]1C ZINC000547747761 325391147 /nfs/dbraw/zinc/39/11/47/325391147.db2.gz BSCCZHHWLKAMHM-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000547771155 325395388 /nfs/dbraw/zinc/39/53/88/325395388.db2.gz HOCLTZQBXNTMIS-HNNXBMFYSA-N 1 0 229.367 3.669 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000547771156 325395539 /nfs/dbraw/zinc/39/55/39/325395539.db2.gz HOCLTZQBXNTMIS-OAHLLOKOSA-N 1 0 229.367 3.669 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000547970893 388499396 /nfs/dbraw/zinc/49/93/96/388499396.db2.gz OJJWARKNMXWGIK-AWEZNQCLSA-N 1 0 217.356 3.791 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000547970894 388499380 /nfs/dbraw/zinc/49/93/80/388499380.db2.gz OJJWARKNMXWGIK-CQSZACIVSA-N 1 0 217.356 3.791 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000548101239 388511662 /nfs/dbraw/zinc/51/16/62/388511662.db2.gz BMSGUJCVEXOQGL-INIZCTEOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000548101240 388511863 /nfs/dbraw/zinc/51/18/63/388511863.db2.gz BMSGUJCVEXOQGL-MRXNPFEDSA-N 1 0 245.366 3.798 20 30 BHEDRO CCCc1cccc(CN(CCC#N)C(C)C)c1 ZINC000548171819 388519702 /nfs/dbraw/zinc/51/97/02/388519702.db2.gz SFLXVYYEQNAYES-UHFFFAOYSA-N 1 0 244.382 3.763 20 30 BHEDRO C=CC[N@@H+](C)[C@H](CC)c1ccc(Cl)cc1 ZINC000548298590 388527065 /nfs/dbraw/zinc/52/70/65/388527065.db2.gz QDBFZIVTCPAECA-CYBMUJFWSA-N 1 0 223.747 3.909 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](CC)c1ccc(Cl)cc1 ZINC000548298591 388527196 /nfs/dbraw/zinc/52/71/96/388527196.db2.gz QDBFZIVTCPAECA-ZDUSSCGKSA-N 1 0 223.747 3.909 20 30 BHEDRO C=CC[N@@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000548298664 388526613 /nfs/dbraw/zinc/52/66/13/388526613.db2.gz HICORMOEDCZAEG-CYBMUJFWSA-N 1 0 217.356 3.989 20 30 BHEDRO C=CC[N@@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000548298667 388526686 /nfs/dbraw/zinc/52/66/86/388526686.db2.gz HICORMOEDCZAEG-ZDUSSCGKSA-N 1 0 217.356 3.989 20 30 BHEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@H]1CCC ZINC000548423345 388535588 /nfs/dbraw/zinc/53/55/88/388535588.db2.gz DZFNVYRACPULLF-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@@H]1CCC ZINC000548423346 388535541 /nfs/dbraw/zinc/53/55/41/388535541.db2.gz DZFNVYRACPULLF-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@H]1CCC ZINC000548423347 325455579 /nfs/dbraw/zinc/45/55/79/325455579.db2.gz DZFNVYRACPULLF-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@@H]1CCC ZINC000548423348 388535483 /nfs/dbraw/zinc/53/54/83/388535483.db2.gz DZFNVYRACPULLF-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[NH2+][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000548491321 325463969 /nfs/dbraw/zinc/46/39/69/325463969.db2.gz PENWRADQFSNEHW-AWEZNQCLSA-N 1 0 237.293 3.748 20 30 BHEDRO C=CCC[NH2+][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000548491322 388544773 /nfs/dbraw/zinc/54/47/73/388544773.db2.gz PENWRADQFSNEHW-CQSZACIVSA-N 1 0 237.293 3.748 20 30 BHEDRO C=CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000548496336 388544465 /nfs/dbraw/zinc/54/44/65/388544465.db2.gz MBDNHODXNUWBPI-AWEZNQCLSA-N 1 0 229.367 3.663 20 30 BHEDRO C=CC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000548496337 388544457 /nfs/dbraw/zinc/54/44/57/388544457.db2.gz MBDNHODXNUWBPI-CQSZACIVSA-N 1 0 229.367 3.663 20 30 BHEDRO CC(C)C1(C)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000548634529 325470363 /nfs/dbraw/zinc/47/03/63/325470363.db2.gz GUFDGTXOWQGZJP-UHFFFAOYSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H](C1CCCCC1)[N@H+](C)CCC(C)(C)C#N ZINC000548929358 388569643 /nfs/dbraw/zinc/56/96/43/388569643.db2.gz SGEIKNALCUFERF-CYBMUJFWSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H](C1CCCCC1)[N@H+](C)CCC(C)(C)C#N ZINC000548929359 388569072 /nfs/dbraw/zinc/56/90/72/388569072.db2.gz SGEIKNALCUFERF-ZDUSSCGKSA-N 1 0 236.403 3.827 20 30 BHEDRO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548930622 388569587 /nfs/dbraw/zinc/56/95/87/388569587.db2.gz UICRWQTXQBJAKH-BJWYYQGGSA-N 1 0 241.378 3.973 20 30 BHEDRO C=CCC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000549037304 388570070 /nfs/dbraw/zinc/57/00/70/388570070.db2.gz LJFSXZPEMMBXMP-GDBMZVCRSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CCC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000549037305 388570269 /nfs/dbraw/zinc/57/02/69/388570269.db2.gz LJFSXZPEMMBXMP-GOEBONIOSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CCC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000549037306 388570485 /nfs/dbraw/zinc/57/04/85/388570485.db2.gz LJFSXZPEMMBXMP-HOCLYGCPSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CCC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000549037307 388571875 /nfs/dbraw/zinc/57/18/75/388571875.db2.gz LJFSXZPEMMBXMP-ZBFHGGJFSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000549040468 388571812 /nfs/dbraw/zinc/57/18/12/388571812.db2.gz CLMZOXZZFOJBBR-CYBMUJFWSA-N 1 0 215.340 3.788 20 30 BHEDRO C=CCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000549040469 388571584 /nfs/dbraw/zinc/57/15/84/388571584.db2.gz CLMZOXZZFOJBBR-ZDUSSCGKSA-N 1 0 215.340 3.788 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000549040729 388571425 /nfs/dbraw/zinc/57/14/25/388571425.db2.gz NZYJQMKDPFPQAW-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C[C@H](C#N)C[N@H+](CCC1CCCCC1)C1CC1 ZINC000549158870 487724122 /nfs/dbraw/zinc/72/41/22/487724122.db2.gz NKTZTAZZZWUXDQ-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H](C#N)C[N@H+](CCC1CCCCC1)C1CC1 ZINC000549158871 487723915 /nfs/dbraw/zinc/72/39/15/487723915.db2.gz NKTZTAZZZWUXDQ-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549173600 388574592 /nfs/dbraw/zinc/57/45/92/388574592.db2.gz YPDGKWBSNSDSAB-MUJYYYPQSA-N 1 0 227.351 3.583 20 30 BHEDRO C=CCC[N@@H+](C)Cc1csc2ccccc12 ZINC000549350447 388577397 /nfs/dbraw/zinc/57/73/97/388577397.db2.gz WXTNYKSNIDCYLE-UHFFFAOYSA-N 1 0 231.364 3.909 20 30 BHEDRO C=CCOCC[NH2+][C@@H](CCC)C1CCCCC1 ZINC000549541385 388584241 /nfs/dbraw/zinc/58/42/41/388584241.db2.gz QECWHIBGQXYFGH-HNNXBMFYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOCC[NH2+][C@H](CCC)C1CCCCC1 ZINC000549541386 325506927 /nfs/dbraw/zinc/50/69/27/325506927.db2.gz QECWHIBGQXYFGH-OAHLLOKOSA-N 1 0 239.403 3.528 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H](C)C1CCCCC1 ZINC000549545504 325507565 /nfs/dbraw/zinc/50/75/65/325507565.db2.gz XDOSPIIEZDIQHO-HLPPOEQASA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000549545505 325507042 /nfs/dbraw/zinc/50/70/42/325507042.db2.gz XDOSPIIEZDIQHO-TTZDDIAXSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000549611411 388585482 /nfs/dbraw/zinc/58/54/82/388585482.db2.gz VSBRGSYOUDXVEW-GYSYKLTISA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000549611424 325510198 /nfs/dbraw/zinc/51/01/98/325510198.db2.gz VSBRGSYOUDXVEW-JTNHKYCSSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000549611425 388585583 /nfs/dbraw/zinc/58/55/83/388585583.db2.gz VSBRGSYOUDXVEW-SUNKGSAMSA-N 1 0 248.757 3.683 20 30 BHEDRO CC(C)CC1(C)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000549717884 388588315 /nfs/dbraw/zinc/58/83/15/388588315.db2.gz JPEGWPOYVKPQSX-CABCVRRESA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)CC1(C)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000549717885 388588679 /nfs/dbraw/zinc/58/86/79/388588679.db2.gz JPEGWPOYVKPQSX-GJZGRUSLSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)CC1(C)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000549717886 388588391 /nfs/dbraw/zinc/58/83/91/388588391.db2.gz JPEGWPOYVKPQSX-HUUCEWRRSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)CC1(C)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000549717887 388588788 /nfs/dbraw/zinc/58/87/88/388588788.db2.gz JPEGWPOYVKPQSX-LSDHHAIUSA-N 1 0 248.414 3.827 20 30 BHEDRO C=CCOCC[N@@H+](CC)[C@@H](CC)c1ccccc1 ZINC000549796608 388591654 /nfs/dbraw/zinc/59/16/54/388591654.db2.gz FNKDGIDXQOALNB-INIZCTEOSA-N 1 0 247.382 3.662 20 30 BHEDRO C=CCOCC[N@@H+](CC)[C@H](CC)c1ccccc1 ZINC000549796609 388591393 /nfs/dbraw/zinc/59/13/93/388591393.db2.gz FNKDGIDXQOALNB-MRXNPFEDSA-N 1 0 247.382 3.662 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000549829941 388592574 /nfs/dbraw/zinc/59/25/74/388592574.db2.gz CVQWXSWJFAFYET-CVEARBPZSA-N 1 0 243.394 3.982 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000549829958 388592856 /nfs/dbraw/zinc/59/28/56/388592856.db2.gz CVQWXSWJFAFYET-HOTGVXAUSA-N 1 0 243.394 3.982 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000549829960 325516753 /nfs/dbraw/zinc/51/67/53/325516753.db2.gz CVQWXSWJFAFYET-HZPDHXFCSA-N 1 0 243.394 3.982 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000549829961 325516884 /nfs/dbraw/zinc/51/68/84/325516884.db2.gz CVQWXSWJFAFYET-JKSUJKDBSA-N 1 0 243.394 3.982 20 30 BHEDRO C=CCOCC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000549844364 388592954 /nfs/dbraw/zinc/59/29/54/388592954.db2.gz PTVMOWRWNNKXTD-INIZCTEOSA-N 1 0 247.382 3.518 20 30 BHEDRO C=CCOCC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000549844365 388592345 /nfs/dbraw/zinc/59/23/45/388592345.db2.gz PTVMOWRWNNKXTD-MRXNPFEDSA-N 1 0 247.382 3.518 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccc(CC)cn1 ZINC000549860533 388593766 /nfs/dbraw/zinc/59/37/66/388593766.db2.gz NMRHZVXRPJPZKO-UHFFFAOYSA-N 1 0 246.398 3.822 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C2(C(C)C)CC2)c1 ZINC000549871705 388593931 /nfs/dbraw/zinc/59/39/31/388593931.db2.gz PYHZMWDBKQGICC-UHFFFAOYSA-N 1 0 245.366 3.530 20 30 BHEDRO CC(C)(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000550251268 384712177 /nfs/dbraw/zinc/71/21/77/384712177.db2.gz BBJOTBLBZVJYTM-UHFFFAOYSA-N 1 0 248.395 3.534 20 30 BHEDRO CCCC[C@H](C)[N@H+](CCCC)CCCC#N ZINC000550370671 388606922 /nfs/dbraw/zinc/60/69/22/388606922.db2.gz UMIPMXNGJWYDDV-AWEZNQCLSA-N 1 0 224.392 3.971 20 30 BHEDRO CCCC[C@@H](C)[N@H+](CCCC)CCCC#N ZINC000550370672 388606933 /nfs/dbraw/zinc/60/69/33/388606933.db2.gz UMIPMXNGJWYDDV-CQSZACIVSA-N 1 0 224.392 3.971 20 30 BHEDRO CCCC[N@H+](CC1(C#N)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000550382892 388607594 /nfs/dbraw/zinc/60/75/94/388607594.db2.gz VGVQMJFTCNAZOA-CABCVRRESA-N 1 0 248.414 3.971 20 30 BHEDRO CCCC[N@H+](CC1(C#N)CC1)[C@H]1CCC[C@H](C)C1 ZINC000550382893 388607281 /nfs/dbraw/zinc/60/72/81/388607281.db2.gz VGVQMJFTCNAZOA-GJZGRUSLSA-N 1 0 248.414 3.971 20 30 BHEDRO CCCC[N@H+](CC1(C#N)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000550382894 388608052 /nfs/dbraw/zinc/60/80/52/388608052.db2.gz VGVQMJFTCNAZOA-HUUCEWRRSA-N 1 0 248.414 3.971 20 30 BHEDRO CCCC[N@H+](CC1(C#N)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000550382895 388607478 /nfs/dbraw/zinc/60/74/78/388607478.db2.gz VGVQMJFTCNAZOA-LSDHHAIUSA-N 1 0 248.414 3.971 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000550860492 325541468 /nfs/dbraw/zinc/54/14/68/325541468.db2.gz KDYIJAOEVTTYBO-GXTWGEPZSA-N 1 0 248.370 3.573 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000550860493 325541179 /nfs/dbraw/zinc/54/11/79/325541179.db2.gz KDYIJAOEVTTYBO-JSGCOSHPSA-N 1 0 248.370 3.573 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000550860494 325541408 /nfs/dbraw/zinc/54/14/08/325541408.db2.gz KDYIJAOEVTTYBO-OCCSQVGLSA-N 1 0 248.370 3.573 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000550860495 325541181 /nfs/dbraw/zinc/54/11/81/325541181.db2.gz KDYIJAOEVTTYBO-TZMCWYRMSA-N 1 0 248.370 3.573 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1(OCC)CCCC1 ZINC000550881695 325542179 /nfs/dbraw/zinc/54/21/79/325542179.db2.gz BJHYJGZAKRFISO-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1(OCC)CCCC1 ZINC000550881696 325542187 /nfs/dbraw/zinc/54/21/87/325542187.db2.gz BJHYJGZAKRFISO-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551271958 325551998 /nfs/dbraw/zinc/55/19/98/325551998.db2.gz HHPNVDSCNBDNFY-BPUTZDHNSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551271963 325552109 /nfs/dbraw/zinc/55/21/09/325552109.db2.gz HHPNVDSCNBDNFY-KBMXLJTQSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551273950 388624329 /nfs/dbraw/zinc/62/43/29/388624329.db2.gz GVYUGBMNYAVNGS-FSDCSDTHSA-N 1 0 243.394 3.980 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551273951 388624856 /nfs/dbraw/zinc/62/48/56/388624856.db2.gz GVYUGBMNYAVNGS-JHNDHUHGSA-N 1 0 243.394 3.980 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551273952 388624962 /nfs/dbraw/zinc/62/49/62/388624962.db2.gz GVYUGBMNYAVNGS-OHFALNGGSA-N 1 0 243.394 3.980 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551273953 325552151 /nfs/dbraw/zinc/55/21/51/325552151.db2.gz GVYUGBMNYAVNGS-OTRWWLKZSA-N 1 0 243.394 3.980 20 30 BHEDRO C=CC[N@@H+](CCCCCF)Cc1ccccc1 ZINC000551376788 388627931 /nfs/dbraw/zinc/62/79/31/388627931.db2.gz GOXKVAMHUVSHOT-UHFFFAOYSA-N 1 0 235.346 3.814 20 30 BHEDRO C=CC[N@H+](CCCCCF)CCc1ccccc1 ZINC000551382346 388627428 /nfs/dbraw/zinc/62/74/28/388627428.db2.gz UNKJQTZDCBPJHF-UHFFFAOYSA-N 1 0 249.373 3.857 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)C1CCCC1 ZINC000551403594 384994170 /nfs/dbraw/zinc/99/41/70/384994170.db2.gz JVMSNLBITOZNJF-UHFFFAOYSA-N 1 0 242.366 3.631 20 30 BHEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCC(C)(C)C#N ZINC000551528138 388632368 /nfs/dbraw/zinc/63/23/68/388632368.db2.gz BFEBGNUKVGZHGK-HZSPNIEDSA-N 1 0 234.387 3.579 20 30 BHEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCC(C)(C)C#N ZINC000551528139 388632160 /nfs/dbraw/zinc/63/21/60/388632160.db2.gz BFEBGNUKVGZHGK-MGPQQGTHSA-N 1 0 234.387 3.579 20 30 BHEDRO CC(C)C(C[NH+]1CCC(CC#N)CC1)C(C)C ZINC000551552621 388633531 /nfs/dbraw/zinc/63/35/31/388633531.db2.gz ONUSCOUEKBEJCH-UHFFFAOYSA-N 1 0 236.403 3.540 20 30 BHEDRO C=CCCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000551711242 388637455 /nfs/dbraw/zinc/63/74/55/388637455.db2.gz ODUIHBGCVNCGDC-UHFFFAOYSA-N 1 0 227.351 3.742 20 30 BHEDRO C=CCOc1ccccc1C[NH2+]C1CC(CC)C1 ZINC000551789894 388640899 /nfs/dbraw/zinc/64/08/99/388640899.db2.gz UPTKJQZHDMWSEX-UHFFFAOYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000551968017 384553413 /nfs/dbraw/zinc/55/34/13/384553413.db2.gz AQXOONYXHAGFMY-INIZCTEOSA-N 1 0 229.367 3.751 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000551968018 384554519 /nfs/dbraw/zinc/55/45/19/384554519.db2.gz AQXOONYXHAGFMY-MRXNPFEDSA-N 1 0 229.367 3.751 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CC=CCC1)c1ccco1 ZINC000552061640 325592824 /nfs/dbraw/zinc/59/28/24/325592824.db2.gz UGARJQVUWKFPEF-KBPBESRZSA-N 1 0 231.339 3.985 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccco1 ZINC000552061641 325592900 /nfs/dbraw/zinc/59/29/00/325592900.db2.gz UGARJQVUWKFPEF-KGLIPLIRSA-N 1 0 231.339 3.985 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccco1 ZINC000552061642 388665426 /nfs/dbraw/zinc/66/54/26/388665426.db2.gz UGARJQVUWKFPEF-UONOGXRCSA-N 1 0 231.339 3.985 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccco1 ZINC000552061643 388665209 /nfs/dbraw/zinc/66/52/09/388665209.db2.gz UGARJQVUWKFPEF-ZIAGYGMSSA-N 1 0 231.339 3.985 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000552063931 325593173 /nfs/dbraw/zinc/59/31/73/325593173.db2.gz RXIYKKSFVMOEFE-KBPBESRZSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000552063932 325593379 /nfs/dbraw/zinc/59/33/79/325593379.db2.gz RXIYKKSFVMOEFE-KGLIPLIRSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000552063933 388664691 /nfs/dbraw/zinc/66/46/91/388664691.db2.gz RXIYKKSFVMOEFE-UONOGXRCSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000552063934 325593383 /nfs/dbraw/zinc/59/33/83/325593383.db2.gz RXIYKKSFVMOEFE-ZIAGYGMSSA-N 1 0 232.371 3.785 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000552072574 325594248 /nfs/dbraw/zinc/59/42/48/325594248.db2.gz QCPZXYIDCUMDAY-AULYBMBSSA-N 1 0 248.395 3.678 20 30 BHEDRO C[N@H+](CCCC1CCCCC1)CC(C)(C)C#N ZINC000552084831 388668704 /nfs/dbraw/zinc/66/87/04/388668704.db2.gz AUEGXZPMSINTPN-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C[N@H+](CC1CCC(C)(C)CC1)CC(C)(C)C#N ZINC000552085313 388668574 /nfs/dbraw/zinc/66/85/74/388668574.db2.gz YYYWYPHPLWFGRF-UHFFFAOYSA-N 1 0 236.403 3.684 20 30 BHEDRO CC[C@@H](C[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000552085794 388668752 /nfs/dbraw/zinc/66/87/52/388668752.db2.gz MZGJPVZUQMDPAJ-AWEZNQCLSA-N 1 0 244.382 3.662 20 30 BHEDRO CC[C@H](C[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000552085795 388668771 /nfs/dbraw/zinc/66/87/71/388668771.db2.gz MZGJPVZUQMDPAJ-CQSZACIVSA-N 1 0 244.382 3.662 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000552086130 388668024 /nfs/dbraw/zinc/66/80/24/388668024.db2.gz YPXSMWYNCPABNI-CYBMUJFWSA-N 1 0 245.366 3.629 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000552086131 388668855 /nfs/dbraw/zinc/66/88/55/388668855.db2.gz YPXSMWYNCPABNI-ZDUSSCGKSA-N 1 0 245.366 3.629 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)C1CC1 ZINC000552099951 325596341 /nfs/dbraw/zinc/59/63/41/325596341.db2.gz YACXDRVOPOUNBC-LLVKDONJSA-N 1 0 247.304 3.663 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C(F)(F)F)CC1)C1CC1 ZINC000552099952 325596726 /nfs/dbraw/zinc/59/67/26/325596726.db2.gz YACXDRVOPOUNBC-NSHDSACASA-N 1 0 247.304 3.663 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000552138410 388673196 /nfs/dbraw/zinc/67/31/96/388673196.db2.gz PKUGQXOOXLFRMC-KBPBESRZSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000552138415 388672725 /nfs/dbraw/zinc/67/27/25/388672725.db2.gz PKUGQXOOXLFRMC-KGLIPLIRSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000552138416 388672597 /nfs/dbraw/zinc/67/25/97/388672597.db2.gz PKUGQXOOXLFRMC-UONOGXRCSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000552138417 388673454 /nfs/dbraw/zinc/67/34/54/388673454.db2.gz PKUGQXOOXLFRMC-ZIAGYGMSSA-N 1 0 248.414 3.827 20 30 BHEDRO C=CCC[C@H]([NH2+]CCC(F)(F)F)c1ccco1 ZINC000552243747 388684982 /nfs/dbraw/zinc/68/49/82/388684982.db2.gz ITJWVSNVRWHMFY-JTQLQIEISA-N 1 0 247.260 3.829 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCC(F)(F)F)c1ccco1 ZINC000552243748 325614121 /nfs/dbraw/zinc/61/41/21/325614121.db2.gz ITJWVSNVRWHMFY-SNVBAGLBSA-N 1 0 247.260 3.829 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cccc(OCC=C)c1 ZINC000552290292 388689422 /nfs/dbraw/zinc/68/94/22/388689422.db2.gz GJJHPOPYRUIMOA-UHFFFAOYSA-N 1 0 245.366 3.649 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000552292765 325617724 /nfs/dbraw/zinc/61/77/24/325617724.db2.gz GWHGPIWNUPBYTJ-SAZUREKKSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000552292883 325617834 /nfs/dbraw/zinc/61/78/34/325617834.db2.gz HUDFWBLUYVXXHJ-SAZUREKKSA-N 1 0 242.366 3.617 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(Cl)s1)C1CCC1 ZINC000552584399 388729730 /nfs/dbraw/zinc/72/97/30/388729730.db2.gz DEWGRAXABCTHEN-UHFFFAOYSA-N 1 0 241.787 3.942 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000552599569 388732115 /nfs/dbraw/zinc/73/21/15/388732115.db2.gz IBJBVVCXFPJIDI-CYBMUJFWSA-N 1 0 233.355 3.617 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000552599570 325658789 /nfs/dbraw/zinc/65/87/89/325658789.db2.gz IBJBVVCXFPJIDI-ZDUSSCGKSA-N 1 0 233.355 3.617 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000552828606 388738095 /nfs/dbraw/zinc/73/80/95/388738095.db2.gz XNWHRPGIVROKQO-CYBMUJFWSA-N 1 0 233.355 3.569 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000552828607 388737508 /nfs/dbraw/zinc/73/75/08/388737508.db2.gz XNWHRPGIVROKQO-ZDUSSCGKSA-N 1 0 233.355 3.569 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000552950256 388741229 /nfs/dbraw/zinc/74/12/29/388741229.db2.gz IXEFGUGAXPPDSE-AWEZNQCLSA-N 1 0 233.330 3.581 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000552950257 388741062 /nfs/dbraw/zinc/74/10/62/388741062.db2.gz IXEFGUGAXPPDSE-CQSZACIVSA-N 1 0 233.330 3.581 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000552956565 388741602 /nfs/dbraw/zinc/74/16/02/388741602.db2.gz FGBQXJFSRRBMFI-SECBINFHSA-N 1 0 243.272 3.721 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000552956566 325670544 /nfs/dbraw/zinc/67/05/44/325670544.db2.gz FGBQXJFSRRBMFI-VIFPVBQESA-N 1 0 243.272 3.721 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000553102908 388748042 /nfs/dbraw/zinc/74/80/42/388748042.db2.gz MPXKEFDXXZMDHQ-AWEZNQCLSA-N 1 0 243.394 3.878 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000553102909 325677040 /nfs/dbraw/zinc/67/70/40/325677040.db2.gz MPXKEFDXXZMDHQ-CQSZACIVSA-N 1 0 243.394 3.878 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000553103941 388748083 /nfs/dbraw/zinc/74/80/83/388748083.db2.gz DXAIEUAULGJYPA-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000553103942 325676900 /nfs/dbraw/zinc/67/69/00/325676900.db2.gz DXAIEUAULGJYPA-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000553103943 325677054 /nfs/dbraw/zinc/67/70/54/325677054.db2.gz DXAIEUAULGJYPA-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000553103944 388747898 /nfs/dbraw/zinc/74/78/98/388747898.db2.gz DXAIEUAULGJYPA-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000553103999 325677070 /nfs/dbraw/zinc/67/70/70/325677070.db2.gz GZSNKHODCWZSID-KBPBESRZSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000553104000 388747931 /nfs/dbraw/zinc/74/79/31/388747931.db2.gz GZSNKHODCWZSID-KGLIPLIRSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000553104001 325677039 /nfs/dbraw/zinc/67/70/39/325677039.db2.gz GZSNKHODCWZSID-UONOGXRCSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000553104002 325677085 /nfs/dbraw/zinc/67/70/85/325677085.db2.gz GZSNKHODCWZSID-ZIAGYGMSSA-N 1 0 249.402 3.689 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000553284052 325684729 /nfs/dbraw/zinc/68/47/29/325684729.db2.gz LWWRBDQBVZVLGY-HNNXBMFYSA-N 1 0 233.330 3.751 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000553284053 388760588 /nfs/dbraw/zinc/76/05/88/388760588.db2.gz LWWRBDQBVZVLGY-OAHLLOKOSA-N 1 0 233.330 3.751 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccccc1OC ZINC000553612371 388785191 /nfs/dbraw/zinc/78/51/91/388785191.db2.gz YUHZZRDSIIACTC-AWEZNQCLSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000553612373 325696680 /nfs/dbraw/zinc/69/66/80/325696680.db2.gz YUHZZRDSIIACTC-CQSZACIVSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)CCC ZINC000553653374 388784186 /nfs/dbraw/zinc/78/41/86/388784186.db2.gz USJLSADYZMLYHY-HNNXBMFYSA-N 1 0 231.383 3.906 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)CCC ZINC000553653379 388785004 /nfs/dbraw/zinc/78/50/04/388785004.db2.gz USJLSADYZMLYHY-OAHLLOKOSA-N 1 0 231.383 3.906 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000553833753 388791310 /nfs/dbraw/zinc/79/13/10/388791310.db2.gz VPEQFMYONJMFJU-INIZCTEOSA-N 1 0 245.366 3.581 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000553833754 388791107 /nfs/dbraw/zinc/79/11/07/388791107.db2.gz VPEQFMYONJMFJU-MRXNPFEDSA-N 1 0 245.366 3.581 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)cc1C ZINC000553835954 388791277 /nfs/dbraw/zinc/79/12/77/388791277.db2.gz DHPUVRKJLIVAPJ-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](CC)c1ccccc1OC ZINC000553986753 388795790 /nfs/dbraw/zinc/79/57/90/388795790.db2.gz FASONYVDRBFKGY-AWEZNQCLSA-N 1 0 233.355 3.654 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](CC)c1ccccc1OC ZINC000553986767 388796698 /nfs/dbraw/zinc/79/66/98/388796698.db2.gz FASONYVDRBFKGY-CQSZACIVSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](CC)c1ccccc1OC ZINC000553991938 388795950 /nfs/dbraw/zinc/79/59/50/388795950.db2.gz NQIPXAXPWNTMDI-AWEZNQCLSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](CC)c1ccccc1OC ZINC000553991939 388796764 /nfs/dbraw/zinc/79/67/64/388796764.db2.gz NQIPXAXPWNTMDI-CQSZACIVSA-N 1 0 233.355 3.654 20 30 BHEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000554074082 388798176 /nfs/dbraw/zinc/79/81/76/388798176.db2.gz UFJYKBCWLBOHBC-KBPBESRZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000554074086 388797945 /nfs/dbraw/zinc/79/79/45/388797945.db2.gz UFJYKBCWLBOHBC-KGLIPLIRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000554074087 388797866 /nfs/dbraw/zinc/79/78/66/388797866.db2.gz UFJYKBCWLBOHBC-UONOGXRCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000554074089 388797871 /nfs/dbraw/zinc/79/78/71/388797871.db2.gz UFJYKBCWLBOHBC-ZIAGYGMSSA-N 1 0 236.403 3.731 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccco1 ZINC000554096965 388801069 /nfs/dbraw/zinc/80/10/69/388801069.db2.gz SUAYPPANAVQRFX-AXFHLTTASA-N 1 0 241.281 3.530 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccco1 ZINC000554096966 388800884 /nfs/dbraw/zinc/80/08/84/388800884.db2.gz SUAYPPANAVQRFX-DCAQKATOSA-N 1 0 241.281 3.530 20 30 BHEDRO C=CC[C@@H]1[N@H+](CCC(C)(C)C#N)CCCC1(C)C ZINC000554264960 388806874 /nfs/dbraw/zinc/80/68/74/388806874.db2.gz XABBZDCYWUXDNG-AWEZNQCLSA-N 1 0 248.414 3.993 20 30 BHEDRO C=CC[C@H]1[N@H+](CCC(C)(C)C#N)CCCC1(C)C ZINC000554264961 388807441 /nfs/dbraw/zinc/80/74/41/388807441.db2.gz XABBZDCYWUXDNG-CQSZACIVSA-N 1 0 248.414 3.993 20 30 BHEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000554265743 388805080 /nfs/dbraw/zinc/80/50/80/388805080.db2.gz RJUNITCXDXQBBN-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000554265749 325711458 /nfs/dbraw/zinc/71/14/58/325711458.db2.gz RJUNITCXDXQBBN-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000554265750 325711185 /nfs/dbraw/zinc/71/11/85/325711185.db2.gz RJUNITCXDXQBBN-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000554265757 388805468 /nfs/dbraw/zinc/80/54/68/388805468.db2.gz RJUNITCXDXQBBN-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]1CC ZINC000554361131 388811632 /nfs/dbraw/zinc/81/16/32/388811632.db2.gz RDDGRSSCEXDZBU-DZGCQCFKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC[C@H]1CC ZINC000554361132 325716037 /nfs/dbraw/zinc/71/60/37/325716037.db2.gz RDDGRSSCEXDZBU-HIFRSBDPSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]1CC ZINC000554361133 325715821 /nfs/dbraw/zinc/71/58/21/325715821.db2.gz RDDGRSSCEXDZBU-UKRRQHHQSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC[C@@H]1CC ZINC000554361134 325715867 /nfs/dbraw/zinc/71/58/67/325715867.db2.gz RDDGRSSCEXDZBU-ZFWWWQNUSA-N 1 0 245.366 3.530 20 30 BHEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000554377597 325717416 /nfs/dbraw/zinc/71/74/16/325717416.db2.gz QWOSEDATAJAAPG-CVSAEHQPSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000554377598 388811531 /nfs/dbraw/zinc/81/15/31/388811531.db2.gz QWOSEDATAJAAPG-NEXFUWMNSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000554377599 325716246 /nfs/dbraw/zinc/71/62/46/325716246.db2.gz QWOSEDATAJAAPG-PFSRBDOWSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000554377600 325716276 /nfs/dbraw/zinc/71/62/76/325716276.db2.gz QWOSEDATAJAAPG-WUCCLRPBSA-N 1 0 248.414 3.731 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000554834946 388832323 /nfs/dbraw/zinc/83/23/23/388832323.db2.gz NRXQSHDPSZGPEL-CYBMUJFWSA-N 1 0 209.377 3.853 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000554840958 388833251 /nfs/dbraw/zinc/83/32/51/388833251.db2.gz KOYUSBGTUCBACT-CABCVRRESA-N 1 0 249.398 3.519 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000554840959 388833338 /nfs/dbraw/zinc/83/33/38/388833338.db2.gz KOYUSBGTUCBACT-GJZGRUSLSA-N 1 0 249.398 3.519 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000554840960 388833350 /nfs/dbraw/zinc/83/33/50/388833350.db2.gz KOYUSBGTUCBACT-HUUCEWRRSA-N 1 0 249.398 3.519 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000554840961 388832726 /nfs/dbraw/zinc/83/27/26/388832726.db2.gz KOYUSBGTUCBACT-LSDHHAIUSA-N 1 0 249.398 3.519 20 30 BHEDRO C[C@H](C#N)C[N@H+](CC[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000554847115 388832936 /nfs/dbraw/zinc/83/29/36/388832936.db2.gz QPLHREONPUMWPP-KFWWJZLASA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@H](C#N)C[N@H+](CC[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000554847116 388832563 /nfs/dbraw/zinc/83/25/63/388832563.db2.gz QPLHREONPUMWPP-RBSFLKMASA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@H](C#N)C[N@H+](CC[C@H]1CCC[C@H](C)C1)C1CC1 ZINC000554847118 388833668 /nfs/dbraw/zinc/83/36/68/388833668.db2.gz QPLHREONPUMWPP-RRFJBIMHSA-N 1 0 248.414 3.827 20 30 BHEDRO C[C@H](C#N)C[N@H+](CC[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC000554847120 388833944 /nfs/dbraw/zinc/83/39/44/388833944.db2.gz QPLHREONPUMWPP-ZNMIVQPWSA-N 1 0 248.414 3.827 20 30 BHEDRO N#CC1CC[NH+](CCCC2CCCCC2)CC1 ZINC000554855635 325738197 /nfs/dbraw/zinc/73/81/97/325738197.db2.gz UXXGLBDGWXVNJD-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=CCCC[NH+]1CCC2(CCCC2)CC1 ZINC000554888372 397975004 /nfs/dbraw/zinc/97/50/04/397975004.db2.gz DAPFKYHZWAGOQF-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO CC(C)(C)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000554989211 325741578 /nfs/dbraw/zinc/74/15/78/325741578.db2.gz YKUBAOKTZBVFAL-HNNXBMFYSA-N 1 0 242.366 3.571 20 30 BHEDRO CC(C)(C)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000554989212 388684126 /nfs/dbraw/zinc/68/41/26/388684126.db2.gz YKUBAOKTZBVFAL-OAHLLOKOSA-N 1 0 242.366 3.571 20 30 BHEDRO C=CCC[N@@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000555006838 397987561 /nfs/dbraw/zinc/98/75/61/397987561.db2.gz XYAQJKJTLTZNES-INIZCTEOSA-N 1 0 245.366 3.581 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000555006839 397987395 /nfs/dbraw/zinc/98/73/95/397987395.db2.gz XYAQJKJTLTZNES-MRXNPFEDSA-N 1 0 245.366 3.581 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000555014774 397988169 /nfs/dbraw/zinc/98/81/69/397988169.db2.gz MTCJZQAGTROXCT-CYBMUJFWSA-N 1 0 221.731 3.663 20 30 BHEDRO C=CCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000555014786 397988672 /nfs/dbraw/zinc/98/86/72/397988672.db2.gz MTCJZQAGTROXCT-ZDUSSCGKSA-N 1 0 221.731 3.663 20 30 BHEDRO C=CC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000555016173 397989365 /nfs/dbraw/zinc/98/93/65/397989365.db2.gz UYPPWBOJIVOYBP-UHFFFAOYSA-N 1 0 241.787 3.800 20 30 BHEDRO C=CCC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000555016508 325742978 /nfs/dbraw/zinc/74/29/78/325742978.db2.gz PBEIUZKAMYWXFN-UHFFFAOYSA-N 1 0 233.330 3.523 20 30 BHEDRO C=CCC[N@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000555016520 397989576 /nfs/dbraw/zinc/98/95/76/397989576.db2.gz PEAOUUCSWXRCIY-INIZCTEOSA-N 1 0 229.367 3.535 20 30 BHEDRO C=CCC[N@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000555016521 397989488 /nfs/dbraw/zinc/98/94/88/397989488.db2.gz PEAOUUCSWXRCIY-MRXNPFEDSA-N 1 0 229.367 3.535 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(SC)s1 ZINC000555092737 397992935 /nfs/dbraw/zinc/99/29/35/397992935.db2.gz RZOMKRCUJCIRGM-UHFFFAOYSA-N 1 0 241.425 3.868 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000555104369 487770276 /nfs/dbraw/zinc/77/02/76/487770276.db2.gz WQUOKYDBKWUBQO-AWEZNQCLSA-N 1 0 243.394 3.736 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000555104374 325746979 /nfs/dbraw/zinc/74/69/79/325746979.db2.gz WQUOKYDBKWUBQO-CQSZACIVSA-N 1 0 243.394 3.736 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555225887 325750324 /nfs/dbraw/zinc/75/03/24/325750324.db2.gz PNLFVGGOHLJXOC-BPUTZDHNSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555225888 388843413 /nfs/dbraw/zinc/84/34/13/388843413.db2.gz PNLFVGGOHLJXOC-KBMXLJTQSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000555226201 388843277 /nfs/dbraw/zinc/84/32/77/388843277.db2.gz UEVYWXNEEZXGGR-APIJFGDWSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000555226202 325750351 /nfs/dbraw/zinc/75/03/51/325750351.db2.gz UEVYWXNEEZXGGR-BFHYXJOUSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000555226203 325749453 /nfs/dbraw/zinc/74/94/53/325749453.db2.gz UEVYWXNEEZXGGR-IHRRRGAJSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000555226204 325749207 /nfs/dbraw/zinc/74/92/07/325749207.db2.gz UEVYWXNEEZXGGR-XQLPTFJDSA-N 1 0 239.403 3.524 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(C)C)nc1C ZINC000555294982 388844987 /nfs/dbraw/zinc/84/49/87/388844987.db2.gz LRWXOLXMWXDALH-UHFFFAOYSA-N 1 0 246.398 3.911 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cccc(F)c1Cl ZINC000555364109 388847041 /nfs/dbraw/zinc/84/70/41/388847041.db2.gz AOAXSIQJBSDARN-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO CCC[C@]1(C)CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000555377704 388849531 /nfs/dbraw/zinc/84/95/31/388849531.db2.gz SIPYDWAHBUSUFN-QLFBSQMISA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@]1(C)CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000555377705 388849184 /nfs/dbraw/zinc/84/91/84/388849184.db2.gz SIPYDWAHBUSUFN-RBSFLKMASA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@]1(C)CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000555377706 388849416 /nfs/dbraw/zinc/84/94/16/388849416.db2.gz SIPYDWAHBUSUFN-RRFJBIMHSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC[C@]1(C)CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000555377707 388848337 /nfs/dbraw/zinc/84/83/37/388848337.db2.gz SIPYDWAHBUSUFN-SOUVJXGZSA-N 1 0 234.387 3.581 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000555425101 325757660 /nfs/dbraw/zinc/75/76/60/325757660.db2.gz XXGDVWVRGDNKMD-KBXIAJHMSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000555425104 388850613 /nfs/dbraw/zinc/85/06/13/388850613.db2.gz XXGDVWVRGDNKMD-TUVASFSCSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000555425105 388850787 /nfs/dbraw/zinc/85/07/87/388850787.db2.gz XXGDVWVRGDNKMD-XGUBFFRZSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000555460988 325757880 /nfs/dbraw/zinc/75/78/80/325757880.db2.gz GREGSLVVMTWMML-QXSJWSMHSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000555460992 325758272 /nfs/dbraw/zinc/75/82/72/325758272.db2.gz GREGSLVVMTWMML-UGUYLWEFSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000555460994 325758312 /nfs/dbraw/zinc/75/83/12/325758312.db2.gz GREGSLVVMTWMML-VGWMRTNUSA-N 1 0 248.414 3.873 20 30 BHEDRO Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)ccc1C#N ZINC000555515747 388785843 /nfs/dbraw/zinc/78/58/43/388785843.db2.gz KORGDDSMSLKEQH-CYBMUJFWSA-N 1 0 244.382 3.733 20 30 BHEDRO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)ccc1C#N ZINC000555515749 388785140 /nfs/dbraw/zinc/78/51/40/388785140.db2.gz KORGDDSMSLKEQH-ZDUSSCGKSA-N 1 0 244.382 3.733 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cnccc1C ZINC000555541159 388852972 /nfs/dbraw/zinc/85/29/72/388852972.db2.gz BZZLFKRCAIXGIQ-AWEZNQCLSA-N 1 0 232.371 3.787 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cnccc1C ZINC000555541166 325760604 /nfs/dbraw/zinc/76/06/04/325760604.db2.gz BZZLFKRCAIXGIQ-CQSZACIVSA-N 1 0 232.371 3.787 20 30 BHEDRO C[C@H](C[N@H+](C)CC(C)(C)C#N)C1CCCCC1 ZINC000555545875 388853914 /nfs/dbraw/zinc/85/39/14/388853914.db2.gz MVVKDHJAOABQGP-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@@H](C[N@H+](C)CC(C)(C)C#N)C1CCCCC1 ZINC000555545877 388853657 /nfs/dbraw/zinc/85/36/57/388853657.db2.gz MVVKDHJAOABQGP-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000555583129 388854490 /nfs/dbraw/zinc/85/44/90/388854490.db2.gz PPIBCCSEADCNOC-CYBMUJFWSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555583130 388854867 /nfs/dbraw/zinc/85/48/67/388854867.db2.gz PPIBCCSEADCNOC-ZDUSSCGKSA-N 1 0 233.330 3.581 20 30 BHEDRO CCCC[C@@H](C)[N@@H+](CCC#N)CCCC ZINC000555673750 388858047 /nfs/dbraw/zinc/85/80/47/388858047.db2.gz ULCHOMPICGRBBJ-CYBMUJFWSA-N 1 0 210.365 3.581 20 30 BHEDRO CCCC[C@H](C)[N@@H+](CCC#N)CCCC ZINC000555673751 388859012 /nfs/dbraw/zinc/85/90/12/388859012.db2.gz ULCHOMPICGRBBJ-ZDUSSCGKSA-N 1 0 210.365 3.581 20 30 BHEDRO CC(C)[N@H+](CCC#N)CC[C@H](C)c1ccccc1 ZINC000556082248 388866772 /nfs/dbraw/zinc/86/67/72/388866772.db2.gz NJMCSAOEIKTONH-HNNXBMFYSA-N 1 0 244.382 3.804 20 30 BHEDRO CC(C)[N@H+](CCC#N)CC[C@@H](C)c1ccccc1 ZINC000556082252 388866518 /nfs/dbraw/zinc/86/65/18/388866518.db2.gz NJMCSAOEIKTONH-OAHLLOKOSA-N 1 0 244.382 3.804 20 30 BHEDRO C=CCCC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000556091837 325777792 /nfs/dbraw/zinc/77/77/92/325777792.db2.gz TVQAYMJBAATWFU-AATRIKPKSA-N 1 0 237.293 3.534 20 30 BHEDRO C=CCCC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000556091976 388867051 /nfs/dbraw/zinc/86/70/51/388867051.db2.gz TVQAYMJBAATWFU-WAYWQWQTSA-N 1 0 237.293 3.534 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000556179597 388869889 /nfs/dbraw/zinc/86/98/89/388869889.db2.gz TXSRFUVFKVYFMV-KFWWJZLASA-N 1 0 246.398 3.771 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000556179603 388869328 /nfs/dbraw/zinc/86/93/28/388869328.db2.gz TXSRFUVFKVYFMV-RBSFLKMASA-N 1 0 246.398 3.771 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ncccc1CC ZINC000556217552 325784991 /nfs/dbraw/zinc/78/49/91/325784991.db2.gz MXDUCOOZOZFNME-CYBMUJFWSA-N 1 0 246.398 3.897 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ncccc1CC ZINC000556217554 325785023 /nfs/dbraw/zinc/78/50/23/325785023.db2.gz MXDUCOOZOZFNME-ZDUSSCGKSA-N 1 0 246.398 3.897 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000556218052 388870507 /nfs/dbraw/zinc/87/05/07/388870507.db2.gz QKYGJGXDZNNJQP-GFCCVEGCSA-N 1 0 229.323 3.877 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000556218063 388870402 /nfs/dbraw/zinc/87/04/02/388870402.db2.gz QKYGJGXDZNNJQP-LBPRGKRZSA-N 1 0 229.323 3.877 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCC1(OC)CCC1 ZINC000556225813 388871525 /nfs/dbraw/zinc/87/15/25/388871525.db2.gz RGOVDJFWNQXGIH-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCC1(OC)CCC1 ZINC000556225814 325785781 /nfs/dbraw/zinc/78/57/81/325785781.db2.gz RGOVDJFWNQXGIH-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(OCC)CCCC1 ZINC000556232396 325785785 /nfs/dbraw/zinc/78/57/85/325785785.db2.gz JFTHNWRUQGTGPV-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(OCC)CCCC1 ZINC000556232397 388872529 /nfs/dbraw/zinc/87/25/29/388872529.db2.gz JFTHNWRUQGTGPV-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(OCC)CCCC1 ZINC000556232398 325785714 /nfs/dbraw/zinc/78/57/14/325785714.db2.gz JFTHNWRUQGTGPV-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(OCC)CCCC1 ZINC000556232399 388872237 /nfs/dbraw/zinc/87/22/37/388872237.db2.gz JFTHNWRUQGTGPV-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000556247795 388871602 /nfs/dbraw/zinc/87/16/02/388871602.db2.gz BOKPZIIVGJRNGM-HNNXBMFYSA-N 1 0 232.371 3.821 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000556247796 388872517 /nfs/dbraw/zinc/87/25/17/388872517.db2.gz BOKPZIIVGJRNGM-OAHLLOKOSA-N 1 0 232.371 3.821 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000556258537 325788132 /nfs/dbraw/zinc/78/81/32/325788132.db2.gz CRAWEKONGUAWIO-GFCCVEGCSA-N 1 0 243.354 3.570 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000556258540 388872756 /nfs/dbraw/zinc/87/27/56/388872756.db2.gz CRAWEKONGUAWIO-LBPRGKRZSA-N 1 0 243.354 3.570 20 30 BHEDRO C=CCCCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000556258974 388872929 /nfs/dbraw/zinc/87/29/29/388872929.db2.gz GTGHQSRMVZYMGM-UHFFFAOYSA-N 1 0 231.330 3.852 20 30 BHEDRO CC(C)C(C[N@H+](CCC#N)C(C)C)C(C)C ZINC000556602664 384436099 /nfs/dbraw/zinc/43/60/99/384436099.db2.gz VCYZNORYIOIXCE-UHFFFAOYSA-N 1 0 224.392 3.539 20 30 BHEDRO CC(C)C(C[NH+]1CCC(C)(C#N)CC1)C(C)C ZINC000556604003 384435644 /nfs/dbraw/zinc/43/56/44/384435644.db2.gz SCVMPYFVCRICEK-UHFFFAOYSA-N 1 0 236.403 3.540 20 30 BHEDRO CCCC[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556605999 322916719 /nfs/dbraw/zinc/91/67/19/322916719.db2.gz OSLBTDLMNDHXBZ-CYBMUJFWSA-N 1 0 242.366 3.716 20 30 BHEDRO CCCC[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556606000 388366097 /nfs/dbraw/zinc/36/60/97/388366097.db2.gz OSLBTDLMNDHXBZ-ZDUSSCGKSA-N 1 0 242.366 3.716 20 30 BHEDRO CCC(CC)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556628924 388367575 /nfs/dbraw/zinc/36/75/75/388367575.db2.gz KJIASMOIGREHTR-UHFFFAOYSA-N 1 0 242.366 3.573 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000556899206 384627238 /nfs/dbraw/zinc/62/72/38/384627238.db2.gz YLOGCSVHLMJWNK-GFCCVEGCSA-N 1 0 242.366 3.921 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000556899207 322930743 /nfs/dbraw/zinc/93/07/43/322930743.db2.gz YLOGCSVHLMJWNK-LBPRGKRZSA-N 1 0 242.366 3.921 20 30 BHEDRO C=CCC(C)(C)C[NH2+]CC1Cc2ccccc2C1 ZINC000556907269 322931015 /nfs/dbraw/zinc/93/10/15/322931015.db2.gz QHQSTOMAILXAGV-UHFFFAOYSA-N 1 0 243.394 3.593 20 30 BHEDRO CCCc1cccc(CN(C)CC(C)(C)C#N)c1 ZINC000556909780 384643062 /nfs/dbraw/zinc/64/30/62/384643062.db2.gz LJVHZYHNLMLDDA-UHFFFAOYSA-N 1 0 244.382 3.621 20 30 BHEDRO C=CC[N@H+](CC1CCCCC1)C1CCC1 ZINC000557047734 384775529 /nfs/dbraw/zinc/77/55/29/384775529.db2.gz CVICUUDNYNHPTH-UHFFFAOYSA-N 1 0 207.361 3.607 20 30 BHEDRO C=C(C)C[N@H+](CC)CCCC(=O)c1ccccc1 ZINC000557047764 384774561 /nfs/dbraw/zinc/77/45/61/384774561.db2.gz FCXSVPSPSJWJTM-UHFFFAOYSA-N 1 0 245.366 3.548 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000557290974 384904220 /nfs/dbraw/zinc/90/42/20/384904220.db2.gz FINGEUSHQNRROP-AWEZNQCLSA-N 1 0 233.330 3.581 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000557290975 384903969 /nfs/dbraw/zinc/90/39/69/384903969.db2.gz FINGEUSHQNRROP-CQSZACIVSA-N 1 0 233.330 3.581 20 30 BHEDRO C=C(CC)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000557291628 384905874 /nfs/dbraw/zinc/90/58/74/384905874.db2.gz KJINTXFUSMVZEK-UHFFFAOYSA-N 1 0 229.323 3.831 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000557384689 384923572 /nfs/dbraw/zinc/92/35/72/384923572.db2.gz CXVBOWGVZZYBCU-KKUMJFAQSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000557384690 384925398 /nfs/dbraw/zinc/92/53/98/384925398.db2.gz CXVBOWGVZZYBCU-RRFJBIMHSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000557384691 384924202 /nfs/dbraw/zinc/92/42/02/384924202.db2.gz CXVBOWGVZZYBCU-SOUVJXGZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000557384692 384923360 /nfs/dbraw/zinc/92/33/60/384923360.db2.gz CXVBOWGVZZYBCU-ZNMIVQPWSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000557384813 322936779 /nfs/dbraw/zinc/93/67/79/322936779.db2.gz JALVWMKKCQFSOP-KBPBESRZSA-N 1 0 241.419 3.915 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000557384814 384925489 /nfs/dbraw/zinc/92/54/89/384925489.db2.gz JALVWMKKCQFSOP-KGLIPLIRSA-N 1 0 241.419 3.915 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000557384815 384924958 /nfs/dbraw/zinc/92/49/58/384924958.db2.gz JALVWMKKCQFSOP-UONOGXRCSA-N 1 0 241.419 3.915 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000557384816 384925443 /nfs/dbraw/zinc/92/54/43/384925443.db2.gz JALVWMKKCQFSOP-ZIAGYGMSSA-N 1 0 241.419 3.915 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000557508070 322938405 /nfs/dbraw/zinc/93/84/05/322938405.db2.gz JHHTYEQQUDXZBY-SECBINFHSA-N 1 0 243.272 3.721 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000557508073 384990404 /nfs/dbraw/zinc/99/04/04/384990404.db2.gz JHHTYEQQUDXZBY-VIFPVBQESA-N 1 0 243.272 3.721 20 30 BHEDRO CC(C)C1CCC(C[N@H+](C)[C@@H](C)CC#N)CC1 ZINC000557521254 384998894 /nfs/dbraw/zinc/99/88/94/384998894.db2.gz RYEZOBSMXCXEKT-NFOMZHRRSA-N 1 0 236.403 3.683 20 30 BHEDRO CC(C)C1CCC(C[N@H+](C)[C@H](C)CC#N)CC1 ZINC000557521256 384998425 /nfs/dbraw/zinc/99/84/25/384998425.db2.gz RYEZOBSMXCXEKT-WLYUNCDWSA-N 1 0 236.403 3.683 20 30 BHEDRO N#CCCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000557539937 385010567 /nfs/dbraw/zinc/01/05/67/385010567.db2.gz VEDLFHDNJYVQNT-INIZCTEOSA-N 1 0 242.366 3.811 20 30 BHEDRO N#CCCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000557539938 322939031 /nfs/dbraw/zinc/93/90/31/322939031.db2.gz VEDLFHDNJYVQNT-MRXNPFEDSA-N 1 0 242.366 3.811 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000557885864 385227038 /nfs/dbraw/zinc/22/70/38/385227038.db2.gz DJMUSJJNTIMGRL-AWEZNQCLSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000557885867 385227298 /nfs/dbraw/zinc/22/72/98/385227298.db2.gz DJMUSJJNTIMGRL-CQSZACIVSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000557886327 385227742 /nfs/dbraw/zinc/22/77/42/385227742.db2.gz GSYXOYLBJPULCS-AWEZNQCLSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000557886328 385228671 /nfs/dbraw/zinc/22/86/71/385228671.db2.gz GSYXOYLBJPULCS-CQSZACIVSA-N 1 0 247.382 3.920 20 30 BHEDRO C=C(C)C[N@@H+](CCCC)C1CCCCC1 ZINC000558062609 385295417 /nfs/dbraw/zinc/29/54/17/385295417.db2.gz GBPJPAGUBWIKLX-UHFFFAOYSA-N 1 0 209.377 3.997 20 30 BHEDRO C=CCC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000558178852 383833218 /nfs/dbraw/zinc/83/32/18/383833218.db2.gz AMNKUVABINGXPO-GFCCVEGCSA-N 1 0 221.369 3.707 20 30 BHEDRO C=CCC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000558178853 383831485 /nfs/dbraw/zinc/83/14/85/383831485.db2.gz AMNKUVABINGXPO-LBPRGKRZSA-N 1 0 221.369 3.707 20 30 BHEDRO CC#CCC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000558185847 383828724 /nfs/dbraw/zinc/82/87/24/383828724.db2.gz XVSHOAFKVAUUTP-CYBMUJFWSA-N 1 0 233.380 3.544 20 30 BHEDRO CC#CCC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000558185852 383829845 /nfs/dbraw/zinc/82/98/45/383829845.db2.gz XVSHOAFKVAUUTP-ZDUSSCGKSA-N 1 0 233.380 3.544 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2CC)cc1 ZINC000558255979 322948073 /nfs/dbraw/zinc/94/80/73/322948073.db2.gz QAFXKCVXTMDGSE-GDBMZVCRSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2CC)cc1 ZINC000558255981 322948070 /nfs/dbraw/zinc/94/80/70/322948070.db2.gz QAFXKCVXTMDGSE-GOEBONIOSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H]2CC)cc1 ZINC000558255983 322947979 /nfs/dbraw/zinc/94/79/79/322947979.db2.gz QAFXKCVXTMDGSE-HOCLYGCPSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@H]2CC)cc1 ZINC000558255986 383881822 /nfs/dbraw/zinc/88/18/22/383881822.db2.gz QAFXKCVXTMDGSE-ZBFHGGJFSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCC(C)(C)COC ZINC000558257586 322948279 /nfs/dbraw/zinc/94/82/79/322948279.db2.gz MRJCBRTYJIIOGT-KBPBESRZSA-N 1 0 241.419 3.630 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCC(C)(C)COC ZINC000558257588 322948276 /nfs/dbraw/zinc/94/82/76/322948276.db2.gz MRJCBRTYJIIOGT-KGLIPLIRSA-N 1 0 241.419 3.630 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCC(C)(C)COC ZINC000558257590 322948278 /nfs/dbraw/zinc/94/82/78/322948278.db2.gz MRJCBRTYJIIOGT-UONOGXRCSA-N 1 0 241.419 3.630 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCC(C)(C)COC ZINC000558257593 322948257 /nfs/dbraw/zinc/94/82/57/322948257.db2.gz MRJCBRTYJIIOGT-ZIAGYGMSSA-N 1 0 241.419 3.630 20 30 BHEDRO C=CCC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)C1CC1 ZINC000558294618 383911645 /nfs/dbraw/zinc/91/16/45/383911645.db2.gz FKCYNZBTCDWOJG-HTAVTVPLSA-N 1 0 247.304 3.662 20 30 BHEDRO C=CCC[C@H]([NH2+]C1CC(C(F)(F)F)C1)C1CC1 ZINC000558294621 383912922 /nfs/dbraw/zinc/91/29/22/383912922.db2.gz FKCYNZBTCDWOJG-MCIGGMRASA-N 1 0 247.304 3.662 20 30 BHEDRO C=CC[N@@H+](C/C=C\c1ccc(F)c(F)c1)C1CC1 ZINC000558406956 383986660 /nfs/dbraw/zinc/98/66/60/383986660.db2.gz WPQAYQXNVSXGTK-ARJAWSKDSA-N 1 0 249.304 3.628 20 30 BHEDRO C=CC[N@@H+](C/C=C/c1ccc(F)c(F)c1)C1CC1 ZINC000558406957 383986238 /nfs/dbraw/zinc/98/62/38/383986238.db2.gz WPQAYQXNVSXGTK-ONEGZZNKSA-N 1 0 249.304 3.628 20 30 BHEDRO CC(C)C[C@H](C)C[NH2+]CC1CCC(C#N)CC1 ZINC000558407114 383987329 /nfs/dbraw/zinc/98/73/29/383987329.db2.gz DERIXNDZUGFOSX-NFOMZHRRSA-N 1 0 236.403 3.588 20 30 BHEDRO CC(C)C[C@@H](C)C[NH2+]CC1CCC(C#N)CC1 ZINC000558407115 383986779 /nfs/dbraw/zinc/98/67/79/383986779.db2.gz DERIXNDZUGFOSX-WLYUNCDWSA-N 1 0 236.403 3.588 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(SC)s1 ZINC000558566570 384189341 /nfs/dbraw/zinc/18/93/41/384189341.db2.gz QBIKOXTZQMZKMX-UHFFFAOYSA-N 1 0 241.425 3.868 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1ccncc1F ZINC000558735039 384267470 /nfs/dbraw/zinc/26/74/70/384267470.db2.gz YYJVEJNNTODNRN-GFCCVEGCSA-N 1 0 236.334 3.618 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1ccncc1F ZINC000558735046 322954694 /nfs/dbraw/zinc/95/46/94/322954694.db2.gz YYJVEJNNTODNRN-LBPRGKRZSA-N 1 0 236.334 3.618 20 30 BHEDRO C=CCCC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000558736243 646656418 /nfs/dbraw/zinc/65/64/18/646656418.db2.gz JZGSNLZCTZIQCQ-UHFFFAOYSA-N 1 0 231.339 3.725 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000558740064 384266496 /nfs/dbraw/zinc/26/64/96/384266496.db2.gz UDKBDMSLCTYTAJ-LLVKDONJSA-N 1 0 247.304 3.617 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000558740065 384267689 /nfs/dbraw/zinc/26/76/89/384267689.db2.gz UDKBDMSLCTYTAJ-NSHDSACASA-N 1 0 247.304 3.617 20 30 BHEDRO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558742630 384269696 /nfs/dbraw/zinc/26/96/96/384269696.db2.gz PIORSIHYFBZLEM-BJWYYQGGSA-N 1 0 241.378 3.973 20 30 BHEDRO CC(C)CCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000558782910 322955071 /nfs/dbraw/zinc/95/50/71/322955071.db2.gz SGBZBDPKUMGOOB-UHFFFAOYSA-N 1 0 242.366 3.573 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1sccc1Cl ZINC000558827251 398215695 /nfs/dbraw/zinc/21/56/95/398215695.db2.gz UQPFZCPFQSADDV-JTQLQIEISA-N 1 0 241.787 3.942 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1sccc1Cl ZINC000558827252 398215737 /nfs/dbraw/zinc/21/57/37/398215737.db2.gz UQPFZCPFQSADDV-SNVBAGLBSA-N 1 0 241.787 3.942 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000558830777 398216970 /nfs/dbraw/zinc/21/69/70/398216970.db2.gz BVIFQBCVOXUCNC-HUUCEWRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000558831246 384319835 /nfs/dbraw/zinc/31/98/35/384319835.db2.gz IIZVSAGOWRKANG-OWBHPGMISA-N 1 0 215.340 3.598 20 30 BHEDRO C=CCC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000558831247 384320056 /nfs/dbraw/zinc/32/00/56/384320056.db2.gz IIZVSAGOWRKANG-WYMLVPIESA-N 1 0 215.340 3.598 20 30 BHEDRO C=CCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000558831251 384320315 /nfs/dbraw/zinc/32/03/15/384320315.db2.gz IQRCYZGUDUCTHN-HNNXBMFYSA-N 1 0 215.340 3.790 20 30 BHEDRO C=CCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000558831252 384320029 /nfs/dbraw/zinc/32/00/29/384320029.db2.gz IQRCYZGUDUCTHN-OAHLLOKOSA-N 1 0 215.340 3.790 20 30 BHEDRO C=CCC[N@H+]1CCCC(C)(C)[C@H]1CC=C ZINC000558832286 384321061 /nfs/dbraw/zinc/32/10/61/384321061.db2.gz YNEZLRNPIHJKHI-CYBMUJFWSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CCC[N@H+]1CCCC(C)(C)[C@@H]1CC=C ZINC000558832290 384321037 /nfs/dbraw/zinc/32/10/37/384321037.db2.gz YNEZLRNPIHJKHI-ZDUSSCGKSA-N 1 0 207.361 3.629 20 30 BHEDRO C=CCCCCC[NH+]1CCC(OC(C)C)CC1 ZINC000558978396 384449144 /nfs/dbraw/zinc/44/91/44/384449144.db2.gz SMFSYQMXQFLVBZ-UHFFFAOYSA-N 1 0 239.403 3.622 20 30 BHEDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000559071585 397928889 /nfs/dbraw/zinc/92/88/89/397928889.db2.gz DUVHSYGQSIMEEK-GFCCVEGCSA-N 1 0 246.354 3.552 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCC1(OC)CCC1 ZINC000559106433 384553203 /nfs/dbraw/zinc/55/32/03/384553203.db2.gz QZLMJGIONSHRBD-UHFFFAOYSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCOCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000559130951 384592931 /nfs/dbraw/zinc/59/29/31/384592931.db2.gz VGWWHCIPOHHGIZ-HNNXBMFYSA-N 1 0 247.382 3.566 20 30 BHEDRO C=CCOCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000559130952 384594028 /nfs/dbraw/zinc/59/40/28/384594028.db2.gz VGWWHCIPOHHGIZ-OAHLLOKOSA-N 1 0 247.382 3.566 20 30 BHEDRO CCCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCC1 ZINC000559150361 398266865 /nfs/dbraw/zinc/26/68/65/398266865.db2.gz UKZGKRSTCZFGFF-CFVMTHIKSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCC1 ZINC000559150365 398266721 /nfs/dbraw/zinc/26/67/21/398266721.db2.gz UKZGKRSTCZFGFF-QEJZJMRPSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCC1 ZINC000559150366 322959149 /nfs/dbraw/zinc/95/91/49/322959149.db2.gz UKZGKRSTCZFGFF-SNPRPXQTSA-N 1 0 234.387 3.627 20 30 BHEDRO CCCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCC1 ZINC000559150368 322959097 /nfs/dbraw/zinc/95/90/97/322959097.db2.gz UKZGKRSTCZFGFF-YUELXQCFSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CCOCC[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000559248671 384877711 /nfs/dbraw/zinc/87/77/11/384877711.db2.gz XYERFSSEIUFSHW-HNNXBMFYSA-N 1 0 247.382 3.661 20 30 BHEDRO C=CCOCC[N@@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000559248672 384875510 /nfs/dbraw/zinc/87/55/10/384875510.db2.gz XYERFSSEIUFSHW-OAHLLOKOSA-N 1 0 247.382 3.661 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000559410699 384898921 /nfs/dbraw/zinc/89/89/21/384898921.db2.gz UCAINXITFMVPAB-HNNXBMFYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000559410700 384898695 /nfs/dbraw/zinc/89/86/95/384898695.db2.gz UCAINXITFMVPAB-OAHLLOKOSA-N 1 0 248.414 3.828 20 30 BHEDRO CC#CC[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC000559458825 490396149 /nfs/dbraw/zinc/39/61/49/490396149.db2.gz MGGFVRYUTJBESV-UHFFFAOYSA-N 1 0 249.357 3.731 20 30 BHEDRO C=CC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000559845110 385192895 /nfs/dbraw/zinc/19/28/95/385192895.db2.gz RFYPCZPFYAWYOC-LLVKDONJSA-N 1 0 229.298 3.816 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000559845111 322980342 /nfs/dbraw/zinc/98/03/42/322980342.db2.gz RFYPCZPFYAWYOC-NSHDSACASA-N 1 0 229.298 3.816 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000559877400 385210313 /nfs/dbraw/zinc/21/03/13/385210313.db2.gz LNPCVPPLTFLWDR-HNNXBMFYSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000559877401 322980698 /nfs/dbraw/zinc/98/06/98/322980698.db2.gz LNPCVPPLTFLWDR-OAHLLOKOSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1OCC(C)C ZINC000559894853 322980792 /nfs/dbraw/zinc/98/07/92/322980792.db2.gz SNJRTDGACDXDHW-AWEZNQCLSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1OCC(C)C ZINC000559894854 385221544 /nfs/dbraw/zinc/22/15/44/385221544.db2.gz SNJRTDGACDXDHW-CQSZACIVSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CCCC[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000560024232 322982064 /nfs/dbraw/zinc/98/20/64/322982064.db2.gz CXFARDRXUOYKCU-UHFFFAOYSA-N 1 0 240.350 3.599 20 30 BHEDRO CCC[C@@H](C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560072451 322982546 /nfs/dbraw/zinc/98/25/46/322982546.db2.gz VLSPICUWXQLXPM-CYBMUJFWSA-N 1 0 242.366 3.573 20 30 BHEDRO CCC[C@H](C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560072459 385270032 /nfs/dbraw/zinc/27/00/32/385270032.db2.gz VLSPICUWXQLXPM-ZDUSSCGKSA-N 1 0 242.366 3.573 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000560140065 322983205 /nfs/dbraw/zinc/98/32/05/322983205.db2.gz VLYHPHOXXLQCDP-CHWSQXEVSA-N 1 0 248.370 3.573 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000560140066 383926624 /nfs/dbraw/zinc/92/66/24/383926624.db2.gz VLYHPHOXXLQCDP-OLZOCXBDSA-N 1 0 248.370 3.573 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000560140067 322983140 /nfs/dbraw/zinc/98/31/40/322983140.db2.gz VLYHPHOXXLQCDP-QWHCGFSZSA-N 1 0 248.370 3.573 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000560140068 383926517 /nfs/dbraw/zinc/92/65/17/383926517.db2.gz VLYHPHOXXLQCDP-STQMWFEESA-N 1 0 248.370 3.573 20 30 BHEDRO CC(C)(C)CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560165571 322983531 /nfs/dbraw/zinc/98/35/31/322983531.db2.gz FKFUBIOXVOWTCL-UHFFFAOYSA-N 1 0 242.366 3.573 20 30 BHEDRO C=C(C)CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000560169894 322983522 /nfs/dbraw/zinc/98/35/22/322983522.db2.gz BXDFVBJUMHTHRQ-UHFFFAOYSA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000560186299 383957809 /nfs/dbraw/zinc/95/78/09/383957809.db2.gz CBYQKQZYQCGJMY-LLVKDONJSA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000560186300 383958220 /nfs/dbraw/zinc/95/82/20/383958220.db2.gz CBYQKQZYQCGJMY-NSHDSACASA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000560220392 383981324 /nfs/dbraw/zinc/98/13/24/383981324.db2.gz FACLHSHJIRXCPE-AWEZNQCLSA-N 1 0 247.382 3.611 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000560220394 383981215 /nfs/dbraw/zinc/98/12/15/383981215.db2.gz FACLHSHJIRXCPE-CQSZACIVSA-N 1 0 247.382 3.611 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@H](OCCC)CC1 ZINC000560220412 383979452 /nfs/dbraw/zinc/97/94/52/383979452.db2.gz HIMSNMXGCJYXSL-HNNXBMFYSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@@H](OCCC)CC1 ZINC000560220416 383979004 /nfs/dbraw/zinc/97/90/04/383979004.db2.gz HIMSNMXGCJYXSL-OAHLLOKOSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCCC[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000560235280 383999518 /nfs/dbraw/zinc/99/95/18/383999518.db2.gz GUAORZLXAFDXSW-KRWDZBQOSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCCC[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000560235281 383999198 /nfs/dbraw/zinc/99/91/98/383999198.db2.gz GUAORZLXAFDXSW-QGZVFWFLSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCCCC[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000560239275 322984514 /nfs/dbraw/zinc/98/45/14/322984514.db2.gz GKLRNDKIXAFFRC-UHFFFAOYSA-N 1 0 245.366 3.630 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000560246023 384014934 /nfs/dbraw/zinc/01/49/34/384014934.db2.gz YNCFAZMGRBYXGG-PBHICJAKSA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000560246024 384014558 /nfs/dbraw/zinc/01/45/58/384014558.db2.gz YNCFAZMGRBYXGG-RHSMWYFYSA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000560246025 384015019 /nfs/dbraw/zinc/01/50/19/384015019.db2.gz YNCFAZMGRBYXGG-WMLDXEAASA-N 1 0 243.394 3.870 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000560246026 322984621 /nfs/dbraw/zinc/98/46/21/322984621.db2.gz YNCFAZMGRBYXGG-YOEHRIQHSA-N 1 0 243.394 3.870 20 30 BHEDRO CC(C)C(C[N@H+](CCC#N)CC1CC1)C(C)C ZINC000560256689 344683149 /nfs/dbraw/zinc/68/31/49/344683149.db2.gz GXGWMHYBQOHZCC-UHFFFAOYSA-N 1 0 236.403 3.540 20 30 BHEDRO CC(C)C(C[N@H+](C[C@H](C)C#N)C1CC1)C(C)C ZINC000560258422 384026871 /nfs/dbraw/zinc/02/68/71/384026871.db2.gz ZABFVLHVGOTDKU-CYBMUJFWSA-N 1 0 236.403 3.539 20 30 BHEDRO CC(C)C(C[N@H+](C[C@@H](C)C#N)C1CC1)C(C)C ZINC000560258424 384026174 /nfs/dbraw/zinc/02/61/74/384026174.db2.gz ZABFVLHVGOTDKU-ZDUSSCGKSA-N 1 0 236.403 3.539 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560265560 383900865 /nfs/dbraw/zinc/90/08/65/383900865.db2.gz HKSQXWCLLRCYCP-CHWSQXEVSA-N 1 0 242.366 3.572 20 30 BHEDRO CC[C@@H](C)[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560265561 322985062 /nfs/dbraw/zinc/98/50/62/322985062.db2.gz HKSQXWCLLRCYCP-OLZOCXBDSA-N 1 0 242.366 3.572 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560265562 383900846 /nfs/dbraw/zinc/90/08/46/383900846.db2.gz HKSQXWCLLRCYCP-QWHCGFSZSA-N 1 0 242.366 3.572 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560265563 322985139 /nfs/dbraw/zinc/98/51/39/322985139.db2.gz HKSQXWCLLRCYCP-STQMWFEESA-N 1 0 242.366 3.572 20 30 BHEDRO CCC[C@H](CC)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560270201 383901183 /nfs/dbraw/zinc/90/11/83/383901183.db2.gz KJLBAGMAANRCPD-HNNXBMFYSA-N 1 0 242.366 3.716 20 30 BHEDRO CCC[C@@H](CC)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560270203 322985160 /nfs/dbraw/zinc/98/51/60/322985160.db2.gz KJLBAGMAANRCPD-OAHLLOKOSA-N 1 0 242.366 3.716 20 30 BHEDRO C=C1CC[NH+](Cc2ccc(OCCC)cc2)CC1 ZINC000560406654 322986984 /nfs/dbraw/zinc/98/69/84/322986984.db2.gz NWFYEXKPEWMVMK-UHFFFAOYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000560466245 384152823 /nfs/dbraw/zinc/15/28/23/384152823.db2.gz NVFLKOOUTDNLRN-INIZCTEOSA-N 1 0 229.367 3.962 20 30 BHEDRO C=C(C)CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000560466246 384152310 /nfs/dbraw/zinc/15/23/10/384152310.db2.gz NVFLKOOUTDNLRN-MRXNPFEDSA-N 1 0 229.367 3.962 20 30 BHEDRO C=C(C)CC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000560469073 384156159 /nfs/dbraw/zinc/15/61/59/384156159.db2.gz TZETZKFDAJQUFN-GFCCVEGCSA-N 1 0 233.330 3.711 20 30 BHEDRO C=C(C)CC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000560469074 384154204 /nfs/dbraw/zinc/15/42/04/384154204.db2.gz TZETZKFDAJQUFN-LBPRGKRZSA-N 1 0 233.330 3.711 20 30 BHEDRO C[N@H+](C[C@@H]1CCCC(C)(C)C1)CC(C)(C)C#N ZINC000560569712 384228186 /nfs/dbraw/zinc/22/81/86/384228186.db2.gz QFCGUJSAWUOEBI-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO C[N@H+](C[C@H]1CCCC(C)(C)C1)CC(C)(C)C#N ZINC000560569713 384225969 /nfs/dbraw/zinc/22/59/69/384225969.db2.gz QFCGUJSAWUOEBI-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO C[N@H+](CCC1CCCCCC1)CC(C)(C)C#N ZINC000560569993 384231648 /nfs/dbraw/zinc/23/16/48/384231648.db2.gz ZKCFVXUEXIIKHQ-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(OCC=C)cc1 ZINC000560573222 384232909 /nfs/dbraw/zinc/23/29/09/384232909.db2.gz GRKHDWLRCFWGNX-AWEZNQCLSA-N 1 0 245.366 3.696 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(OCC=C)cc1 ZINC000560573223 384234159 /nfs/dbraw/zinc/23/41/59/384234159.db2.gz GRKHDWLRCFWGNX-CQSZACIVSA-N 1 0 245.366 3.696 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(C#N)cc1Cl ZINC000560573391 322989812 /nfs/dbraw/zinc/98/98/12/322989812.db2.gz YEARMRBVTWNZNF-BFVZDQMLSA-N 1 0 248.757 3.661 20 30 BHEDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000560573394 322989773 /nfs/dbraw/zinc/98/97/73/322989773.db2.gz YEARMRBVTWNZNF-BHDSKKPTSA-N 1 0 248.757 3.661 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(C#N)cc1Cl ZINC000560573395 384234189 /nfs/dbraw/zinc/23/41/89/384234189.db2.gz YEARMRBVTWNZNF-ISTVAULSSA-N 1 0 248.757 3.661 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000560573396 384232994 /nfs/dbraw/zinc/23/29/94/384232994.db2.gz YEARMRBVTWNZNF-PKFCDNJMSA-N 1 0 248.757 3.661 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C2CC(CC)C2)cc1 ZINC000560573891 384233641 /nfs/dbraw/zinc/23/36/41/384233641.db2.gz MLOUADSTAVOJDR-UHFFFAOYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(CSC)cc1 ZINC000560585045 322989981 /nfs/dbraw/zinc/98/99/81/322989981.db2.gz PLISKFPDJIBOMJ-CYBMUJFWSA-N 1 0 249.423 3.994 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(CSC)cc1 ZINC000560585046 322989905 /nfs/dbraw/zinc/98/99/05/322989905.db2.gz PLISKFPDJIBOMJ-ZDUSSCGKSA-N 1 0 249.423 3.994 20 30 BHEDRO C=CC[NH+](CC=C)[C@H](C)c1ccc(F)cc1 ZINC000560692385 384308159 /nfs/dbraw/zinc/30/81/59/384308159.db2.gz AECYNYOABVQRSR-GFCCVEGCSA-N 1 0 219.303 3.561 20 30 BHEDRO C=CC[NH+](CC=C)[C@@H](C)c1ccc(F)cc1 ZINC000560692386 322991704 /nfs/dbraw/zinc/99/17/04/322991704.db2.gz AECYNYOABVQRSR-LBPRGKRZSA-N 1 0 219.303 3.561 20 30 BHEDRO CCCc1ccc([C@@H]([NH2+]CCC#N)C(C)C)cc1 ZINC000560832961 384376257 /nfs/dbraw/zinc/37/62/57/384376257.db2.gz MZGBEHNTCJEGHC-INIZCTEOSA-N 1 0 244.382 3.839 20 30 BHEDRO CCCc1ccc([C@H]([NH2+]CCC#N)C(C)C)cc1 ZINC000560832963 384376290 /nfs/dbraw/zinc/37/62/90/384376290.db2.gz MZGBEHNTCJEGHC-MRXNPFEDSA-N 1 0 244.382 3.839 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000560925051 322993543 /nfs/dbraw/zinc/99/35/43/322993543.db2.gz QMBZQGHJKFBEBG-AWEZNQCLSA-N 1 0 242.366 3.783 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000560925055 322993426 /nfs/dbraw/zinc/99/34/26/322993426.db2.gz QMBZQGHJKFBEBG-CQSZACIVSA-N 1 0 242.366 3.783 20 30 BHEDRO C=CC[N@@H+](CC(=C)CC)Cc1ccc(OC)cc1 ZINC000560927441 384412341 /nfs/dbraw/zinc/41/23/41/384412341.db2.gz MRFLOADYMFCOPJ-UHFFFAOYSA-N 1 0 245.366 3.649 20 30 BHEDRO CCC[C@@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000561253973 385160609 /nfs/dbraw/zinc/16/06/09/385160609.db2.gz FZQAEEFHOQHVJM-GFCCVEGCSA-N 1 0 248.345 3.565 20 30 BHEDRO CCC[C@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000561253976 385160076 /nfs/dbraw/zinc/16/00/76/385160076.db2.gz FZQAEEFHOQHVJM-LBPRGKRZSA-N 1 0 248.345 3.565 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000561348705 323000157 /nfs/dbraw/zinc/00/01/57/323000157.db2.gz PZZUPVHKIIAEGJ-INIZCTEOSA-N 1 0 244.382 3.965 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000561348714 323000106 /nfs/dbraw/zinc/00/01/06/323000106.db2.gz PZZUPVHKIIAEGJ-MRXNPFEDSA-N 1 0 244.382 3.965 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C(C)(C)C(C)C)c1 ZINC000561476245 323002469 /nfs/dbraw/zinc/00/24/69/323002469.db2.gz SFZWXBDJMLYZBW-UHFFFAOYSA-N 1 0 247.382 3.776 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)CC ZINC000561635642 345167974 /nfs/dbraw/zinc/16/79/74/345167974.db2.gz VGUUSXOWNOODFW-AWEZNQCLSA-N 1 0 217.356 3.516 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)CC ZINC000561635643 345167767 /nfs/dbraw/zinc/16/77/67/345167767.db2.gz VGUUSXOWNOODFW-CQSZACIVSA-N 1 0 217.356 3.516 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000561784200 323007010 /nfs/dbraw/zinc/00/70/10/323007010.db2.gz IXXUKFSIYVLRFW-HNNXBMFYSA-N 1 0 233.355 3.654 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000561784204 323007082 /nfs/dbraw/zinc/00/70/82/323007082.db2.gz IXXUKFSIYVLRFW-OAHLLOKOSA-N 1 0 233.355 3.654 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccc(C#N)cc1F ZINC000561788406 323006997 /nfs/dbraw/zinc/00/69/97/323006997.db2.gz YMOXQPJBMYAEDX-UHFFFAOYSA-N 1 0 248.345 3.708 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1cccc(C#N)c1F ZINC000561788535 323006942 /nfs/dbraw/zinc/00/69/42/323006942.db2.gz ZLOHJQNOEOQZLX-UHFFFAOYSA-N 1 0 248.345 3.708 20 30 BHEDRO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCC ZINC000561821879 323007635 /nfs/dbraw/zinc/00/76/35/323007635.db2.gz NWZJVCHDYWGMHE-AWEZNQCLSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCC ZINC000561821880 323007603 /nfs/dbraw/zinc/00/76/03/323007603.db2.gz NWZJVCHDYWGMHE-CQSZACIVSA-N 1 0 247.382 3.872 20 30 BHEDRO C=C(C)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561957093 323009423 /nfs/dbraw/zinc/00/94/23/323009423.db2.gz LIINHWSKDVNXAA-GFCCVEGCSA-N 1 0 221.369 3.707 20 30 BHEDRO C=C(C)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561957099 323009370 /nfs/dbraw/zinc/00/93/70/323009370.db2.gz LIINHWSKDVNXAA-LBPRGKRZSA-N 1 0 221.369 3.707 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCc1cccs1 ZINC000562040419 323010861 /nfs/dbraw/zinc/01/08/61/323010861.db2.gz MQKWSMOMDCDQLI-UHFFFAOYSA-N 1 0 237.412 3.969 20 30 BHEDRO C=C(C)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000562047077 323010963 /nfs/dbraw/zinc/01/09/63/323010963.db2.gz OZNIFMZOFVNNDB-UHFFFAOYSA-N 1 0 247.357 3.656 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000562056152 345276157 /nfs/dbraw/zinc/27/61/57/345276157.db2.gz CICLRKRKQRHVES-FIXISWKDSA-N 1 0 249.329 3.592 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000562056153 345276135 /nfs/dbraw/zinc/27/61/35/345276135.db2.gz CICLRKRKQRHVES-PGUXBMHVSA-N 1 0 249.329 3.592 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000562056154 345275906 /nfs/dbraw/zinc/27/59/06/345275906.db2.gz CICLRKRKQRHVES-RWSFTLGLSA-N 1 0 249.329 3.592 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1c2ccc(F)cc2O[C@H]1C ZINC000562056155 345276178 /nfs/dbraw/zinc/27/61/78/345276178.db2.gz CICLRKRKQRHVES-ZIBATOQPSA-N 1 0 249.329 3.592 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000562330355 323016716 /nfs/dbraw/zinc/01/67/16/323016716.db2.gz GZHZYTYBYDXRTL-AWEZNQCLSA-N 1 0 249.402 3.861 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000562330358 323016718 /nfs/dbraw/zinc/01/67/18/323016718.db2.gz GZHZYTYBYDXRTL-CQSZACIVSA-N 1 0 249.402 3.861 20 30 BHEDRO CC[N@H+](CC1(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000562364534 323017917 /nfs/dbraw/zinc/01/79/17/323017917.db2.gz IBWIALPNBKWDBZ-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[N@H+](CC1(C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000562364535 323017956 /nfs/dbraw/zinc/01/79/56/323017956.db2.gz IBWIALPNBKWDBZ-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO C=CC[N@@H+](CCC#N)C[C@H]1CCCC(C)(C)C1 ZINC000562375828 323018523 /nfs/dbraw/zinc/01/85/23/323018523.db2.gz IIOIZUMMDOAKBR-AWEZNQCLSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[N@@H+](CCC#N)C[C@@H]1CCCC(C)(C)C1 ZINC000562375829 323018468 /nfs/dbraw/zinc/01/84/68/323018468.db2.gz IIOIZUMMDOAKBR-CQSZACIVSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)(C)C1CCC(C[NH2+]CC2(C#N)CC2)CC1 ZINC000562391538 345373762 /nfs/dbraw/zinc/37/37/62/345373762.db2.gz IZMQUVSNIMGDOK-UHFFFAOYSA-N 1 0 248.414 3.732 20 30 BHEDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(C#N)cc1F ZINC000562413073 323019234 /nfs/dbraw/zinc/01/92/34/323019234.db2.gz NNUYAHOFBDQLMR-JTQLQIEISA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(C#N)cc1F ZINC000562413074 323019195 /nfs/dbraw/zinc/01/91/95/323019195.db2.gz NNUYAHOFBDQLMR-SNVBAGLBSA-N 1 0 246.329 3.537 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000562487088 323021831 /nfs/dbraw/zinc/02/18/31/323021831.db2.gz ZDBZRAXTYXWXQP-CYBMUJFWSA-N 1 0 249.785 3.668 20 30 BHEDRO CC(C)[C@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000562487089 323021794 /nfs/dbraw/zinc/02/17/94/323021794.db2.gz ZDBZRAXTYXWXQP-ZDUSSCGKSA-N 1 0 249.785 3.668 20 30 BHEDRO C=CCCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000562503556 323021940 /nfs/dbraw/zinc/02/19/40/323021940.db2.gz RFWBQCHAOGYJCV-UHFFFAOYSA-N 1 0 233.286 3.628 20 30 BHEDRO C=CCCCC[NH+]1CCC(c2ccncc2)CC1 ZINC000562534746 323023224 /nfs/dbraw/zinc/02/32/24/323023224.db2.gz PTGKSYDKALZPGP-UHFFFAOYSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000562548732 323024184 /nfs/dbraw/zinc/02/41/84/323024184.db2.gz AYDCZLFHYUGDOX-AWEZNQCLSA-N 1 0 239.428 3.562 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000562548733 323024217 /nfs/dbraw/zinc/02/42/17/323024217.db2.gz AYDCZLFHYUGDOX-CQSZACIVSA-N 1 0 239.428 3.562 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000562572079 323024805 /nfs/dbraw/zinc/02/48/05/323024805.db2.gz UAJZOGMZUUXJBI-GFCCVEGCSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000562572090 323024799 /nfs/dbraw/zinc/02/47/99/323024799.db2.gz UAJZOGMZUUXJBI-LBPRGKRZSA-N 1 0 224.392 3.731 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000562626349 323025859 /nfs/dbraw/zinc/02/58/59/323025859.db2.gz BZYJYQNVWUYTFZ-INIZCTEOSA-N 1 0 244.382 3.965 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000562626350 323025974 /nfs/dbraw/zinc/02/59/74/323025974.db2.gz BZYJYQNVWUYTFZ-MRXNPFEDSA-N 1 0 244.382 3.965 20 30 BHEDRO CC(C)[N@H+](CCC#N)Cc1cccc2ccoc21 ZINC000562647309 323026292 /nfs/dbraw/zinc/02/62/92/323026292.db2.gz JOFIVEOQMWSFND-UHFFFAOYSA-N 1 0 242.322 3.557 20 30 BHEDRO C=CCCCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000562703249 323028280 /nfs/dbraw/zinc/02/82/80/323028280.db2.gz ZURITSBRTRMYQH-GDBMZVCRSA-N 1 0 244.382 3.821 20 30 BHEDRO C=CCCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000562703250 323028337 /nfs/dbraw/zinc/02/83/37/323028337.db2.gz ZURITSBRTRMYQH-GOEBONIOSA-N 1 0 244.382 3.821 20 30 BHEDRO C=CCCCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000562703251 323028364 /nfs/dbraw/zinc/02/83/64/323028364.db2.gz ZURITSBRTRMYQH-HOCLYGCPSA-N 1 0 244.382 3.821 20 30 BHEDRO C=CCCCC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000562703252 323028239 /nfs/dbraw/zinc/02/82/39/323028239.db2.gz ZURITSBRTRMYQH-ZBFHGGJFSA-N 1 0 244.382 3.821 20 30 BHEDRO C=CCCCC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000562703255 323028279 /nfs/dbraw/zinc/02/82/79/323028279.db2.gz AIEVCQUDVRKOKJ-UHFFFAOYSA-N 1 0 232.371 3.571 20 30 BHEDRO C[C@H](C1CC1)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000563203213 323101563 /nfs/dbraw/zinc/10/15/63/323101563.db2.gz XHZSZMIRTUWOHJ-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H](C1CC1)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000563203214 323101605 /nfs/dbraw/zinc/10/16/05/323101605.db2.gz XHZSZMIRTUWOHJ-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000563267340 323107086 /nfs/dbraw/zinc/10/70/86/323107086.db2.gz FAAFGNDSUWRKBI-ABAIWWIYSA-N 1 0 242.366 3.570 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000563267485 323107217 /nfs/dbraw/zinc/10/72/17/323107217.db2.gz FAAFGNDSUWRKBI-IAQYHMDHSA-N 1 0 242.366 3.570 20 30 BHEDRO C=CCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000563463935 323127434 /nfs/dbraw/zinc/12/74/34/323127434.db2.gz WPZIOXTWZZHBMM-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000563465357 323127506 /nfs/dbraw/zinc/12/75/06/323127506.db2.gz LFWFZGGSLHRPLX-GFCCVEGCSA-N 1 0 248.395 3.844 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000563465358 323127567 /nfs/dbraw/zinc/12/75/67/323127567.db2.gz LFWFZGGSLHRPLX-LBPRGKRZSA-N 1 0 248.395 3.844 20 30 BHEDRO N#CCCC1CC[NH+](CC2CCCCCC2)CC1 ZINC000563532727 323129322 /nfs/dbraw/zinc/12/93/22/323129322.db2.gz MGPHVGMVINDUGF-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000563596308 323131172 /nfs/dbraw/zinc/13/11/72/323131172.db2.gz YYJYGWLOGIAINJ-INIZCTEOSA-N 1 0 244.382 3.883 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000563596309 323131241 /nfs/dbraw/zinc/13/12/41/323131241.db2.gz YYJYGWLOGIAINJ-MRXNPFEDSA-N 1 0 244.382 3.883 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000563678478 323161672 /nfs/dbraw/zinc/16/16/72/323161672.db2.gz MFGNBJUYTXWXPC-UHFFFAOYSA-N 1 0 246.379 3.661 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000563802287 323178304 /nfs/dbraw/zinc/17/83/04/323178304.db2.gz SQKONARJCITIIO-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[NH2+]CC1(C#N)CC1 ZINC000563854028 323180890 /nfs/dbraw/zinc/18/08/90/323180890.db2.gz RDIMFUYIDUGQAZ-AWEZNQCLSA-N 1 0 234.387 3.652 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[NH2+]CC1(C#N)CC1 ZINC000563854029 323180930 /nfs/dbraw/zinc/18/09/30/323180930.db2.gz RDIMFUYIDUGQAZ-CQSZACIVSA-N 1 0 234.387 3.652 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC000564400792 388874823 /nfs/dbraw/zinc/87/48/23/388874823.db2.gz SMIPSTXNLURVJK-HNNXBMFYSA-N 1 0 229.367 3.549 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC000564400793 388874595 /nfs/dbraw/zinc/87/45/95/388874595.db2.gz SMIPSTXNLURVJK-OAHLLOKOSA-N 1 0 229.367 3.549 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000564401168 388874810 /nfs/dbraw/zinc/87/48/10/388874810.db2.gz ZWSYLMGYBFPFCC-AWEZNQCLSA-N 1 0 249.785 3.923 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000564401169 388872781 /nfs/dbraw/zinc/87/27/81/388872781.db2.gz ZWSYLMGYBFPFCC-CQSZACIVSA-N 1 0 249.785 3.923 20 30 BHEDRO C=CCCCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000564705796 388884392 /nfs/dbraw/zinc/88/43/92/388884392.db2.gz KTYMVUMNVAUSPW-UHFFFAOYSA-N 1 0 233.277 3.537 20 30 BHEDRO C=C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000564741821 325806804 /nfs/dbraw/zinc/80/68/04/325806804.db2.gz NWZIGEUNMPKTRW-AWEZNQCLSA-N 1 0 205.345 3.527 20 30 BHEDRO C=C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000564741826 325806579 /nfs/dbraw/zinc/80/65/79/325806579.db2.gz NWZIGEUNMPKTRW-CQSZACIVSA-N 1 0 205.345 3.527 20 30 BHEDRO CCC(C)(C)C1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000564769925 323034379 /nfs/dbraw/zinc/03/43/79/323034379.db2.gz BUSQFHQVZJZRMC-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000564774392 388888787 /nfs/dbraw/zinc/88/87/87/388888787.db2.gz PXKQMAVDLYANEB-CVEARBPZSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000564774396 388888543 /nfs/dbraw/zinc/88/85/43/388888543.db2.gz PXKQMAVDLYANEB-HOTGVXAUSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000564774397 325808341 /nfs/dbraw/zinc/80/83/41/325808341.db2.gz PXKQMAVDLYANEB-HZPDHXFCSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000564774398 388888719 /nfs/dbraw/zinc/88/87/19/388888719.db2.gz PXKQMAVDLYANEB-JKSUJKDBSA-N 1 0 229.367 3.879 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCc1ccncc1C ZINC000564899270 384278200 /nfs/dbraw/zinc/27/82/00/384278200.db2.gz RYFZERDKEGMIGM-UHFFFAOYSA-N 1 0 246.398 3.611 20 30 BHEDRO C=CCCCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000565219764 388928161 /nfs/dbraw/zinc/92/81/61/388928161.db2.gz ZVIYNUNPMQDAGY-UHFFFAOYSA-N 1 0 234.387 3.795 20 30 BHEDRO C=C(C)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000565333000 325897665 /nfs/dbraw/zinc/89/76/65/325897665.db2.gz WXPRCMPZJUDYJN-UHFFFAOYSA-N 1 0 229.367 3.708 20 30 BHEDRO N#CCC1CC[NH+](CCC2CCCCCC2)CC1 ZINC000565355580 388939548 /nfs/dbraw/zinc/93/95/48/388939548.db2.gz JSZYXUKZEFNWAO-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C=CCCCCC[NH2+]C1CCC(COC)CC1 ZINC000565549288 388954017 /nfs/dbraw/zinc/95/40/17/388954017.db2.gz QCPHCSCQSKYYNU-UHFFFAOYSA-N 1 0 239.403 3.528 20 30 BHEDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000565561245 325928968 /nfs/dbraw/zinc/92/89/68/325928968.db2.gz MITCETPGOHFPGO-KBPBESRZSA-N 1 0 244.382 3.863 20 30 BHEDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000565561251 384666269 /nfs/dbraw/zinc/66/62/69/384666269.db2.gz MITCETPGOHFPGO-KGLIPLIRSA-N 1 0 244.382 3.863 20 30 BHEDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000565561253 325928802 /nfs/dbraw/zinc/92/88/02/325928802.db2.gz MITCETPGOHFPGO-UONOGXRCSA-N 1 0 244.382 3.863 20 30 BHEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000565561254 325928545 /nfs/dbraw/zinc/92/85/45/325928545.db2.gz MITCETPGOHFPGO-ZIAGYGMSSA-N 1 0 244.382 3.863 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](F)C1)C1CC1 ZINC000565657086 388960525 /nfs/dbraw/zinc/96/05/25/388960525.db2.gz XDLOJILMYMAEJE-IHRRRGAJSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C1CC1 ZINC000565657087 325939675 /nfs/dbraw/zinc/93/96/75/325939675.db2.gz XDLOJILMYMAEJE-MCIONIFRSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)C1CC1 ZINC000565657088 388960403 /nfs/dbraw/zinc/96/04/03/388960403.db2.gz XDLOJILMYMAEJE-MJBXVCDLSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)C1CC1 ZINC000565657089 325939630 /nfs/dbraw/zinc/93/96/30/325939630.db2.gz XDLOJILMYMAEJE-RDBSUJKOSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CCCCC[NH2+][C@H](CC)c1nc(C)cs1 ZINC000565698273 388963883 /nfs/dbraw/zinc/96/38/83/388963883.db2.gz NIZUJRUDNUDEDL-GFCCVEGCSA-N 1 0 238.400 3.849 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000565698286 325944386 /nfs/dbraw/zinc/94/43/86/325944386.db2.gz NIZUJRUDNUDEDL-LBPRGKRZSA-N 1 0 238.400 3.849 20 30 BHEDRO CC(C)(CCCc1ccccc1)C[NH2+]CCC#N ZINC000565712351 388964655 /nfs/dbraw/zinc/96/46/55/388964655.db2.gz PHANQBHWBQLRLL-UHFFFAOYSA-N 1 0 244.382 3.539 20 30 BHEDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000565775772 325956067 /nfs/dbraw/zinc/95/60/67/325956067.db2.gz ZRRFLOIZXUNCHD-AWEZNQCLSA-N 1 0 244.382 3.524 20 30 BHEDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000565775773 325956081 /nfs/dbraw/zinc/95/60/81/325956081.db2.gz ZRRFLOIZXUNCHD-CQSZACIVSA-N 1 0 244.382 3.524 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccco1 ZINC000565789594 325958111 /nfs/dbraw/zinc/95/81/11/325958111.db2.gz VKBGCSVQNIYQDN-FRRDWIJNSA-N 1 0 237.318 3.767 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000565873314 388975495 /nfs/dbraw/zinc/97/54/95/388975495.db2.gz CKHAXYZCDVJZAM-AWEZNQCLSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000565873318 325967460 /nfs/dbraw/zinc/96/74/60/325967460.db2.gz CKHAXYZCDVJZAM-CQSZACIVSA-N 1 0 249.402 3.689 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccc(SC)s1 ZINC000565923495 388979809 /nfs/dbraw/zinc/97/98/09/388979809.db2.gz PTOOFDQDWJXKGM-UHFFFAOYSA-N 1 0 239.409 3.644 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000565961894 325979773 /nfs/dbraw/zinc/97/97/73/325979773.db2.gz OYPHDEIARRVOFU-CABCVRRESA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000565961895 388981467 /nfs/dbraw/zinc/98/14/67/388981467.db2.gz OYPHDEIARRVOFU-GJZGRUSLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000565961896 388981693 /nfs/dbraw/zinc/98/16/93/388981693.db2.gz OYPHDEIARRVOFU-HUUCEWRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000565961897 388981599 /nfs/dbraw/zinc/98/15/99/388981599.db2.gz OYPHDEIARRVOFU-LSDHHAIUSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000565991538 325981484 /nfs/dbraw/zinc/98/14/84/325981484.db2.gz FOJCKINCENQXLN-UHFFFAOYSA-N 1 0 245.366 3.630 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000566036307 388984977 /nfs/dbraw/zinc/98/49/77/388984977.db2.gz BDLQIPXBPJPRTM-DSCSFJNRSA-N 1 0 241.378 3.515 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000566036308 388984510 /nfs/dbraw/zinc/98/45/10/388984510.db2.gz BDLQIPXBPJPRTM-PASATYPHSA-N 1 0 241.378 3.515 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1csc(CC)n1 ZINC000566050226 325987943 /nfs/dbraw/zinc/98/79/43/325987943.db2.gz HNEOCIBIBWVUFC-LLVKDONJSA-N 1 0 238.400 3.712 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1csc(CC)n1 ZINC000566050227 388984558 /nfs/dbraw/zinc/98/45/58/388984558.db2.gz HNEOCIBIBWVUFC-NSHDSACASA-N 1 0 238.400 3.712 20 30 BHEDRO C=CCCCCC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000566476311 326050804 /nfs/dbraw/zinc/05/08/04/326050804.db2.gz WGWYCRYADJROBJ-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000566476314 326050661 /nfs/dbraw/zinc/05/06/61/326050661.db2.gz WGWYCRYADJROBJ-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000566476315 326050511 /nfs/dbraw/zinc/05/05/11/326050511.db2.gz WGWYCRYADJROBJ-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000566476316 326050812 /nfs/dbraw/zinc/05/08/12/326050812.db2.gz WGWYCRYADJROBJ-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CCCCC3)C2)C1 ZINC000566574994 326065771 /nfs/dbraw/zinc/06/57/71/326065771.db2.gz VGQBOKITPNIUGT-CABCVRRESA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCCC3(CCCCC3)C2)C1 ZINC000566574996 326065897 /nfs/dbraw/zinc/06/58/97/326065897.db2.gz VGQBOKITPNIUGT-GJZGRUSLSA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CCCCC3)C2)C1 ZINC000566574998 326065962 /nfs/dbraw/zinc/06/59/62/326065962.db2.gz VGQBOKITPNIUGT-HUUCEWRRSA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCCC3(CCCCC3)C2)C1 ZINC000566574999 326065737 /nfs/dbraw/zinc/06/57/37/326065737.db2.gz VGQBOKITPNIUGT-LSDHHAIUSA-N 1 0 246.398 3.725 20 30 BHEDRO C=C(C)CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000566634838 326070784 /nfs/dbraw/zinc/07/07/84/326070784.db2.gz RKGGLAZRXABXKI-UHFFFAOYSA-N 1 0 247.357 3.971 20 30 BHEDRO CCCC(CCC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000566738432 326078703 /nfs/dbraw/zinc/07/87/03/326078703.db2.gz ZBSJDSPWVVYXTH-UHFFFAOYSA-N 1 0 244.382 3.811 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000566741898 326079247 /nfs/dbraw/zinc/07/92/47/326079247.db2.gz ABGDUYVYMSAZIY-GFCCVEGCSA-N 1 0 231.330 3.710 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000566741899 326079175 /nfs/dbraw/zinc/07/91/75/326079175.db2.gz ABGDUYVYMSAZIY-LBPRGKRZSA-N 1 0 231.330 3.710 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccncc1C ZINC000566836763 326086764 /nfs/dbraw/zinc/08/67/64/326086764.db2.gz JHEZCKRXHKJPOQ-UHFFFAOYSA-N 1 0 232.371 3.568 20 30 BHEDRO CCC(CC)[N@H+](CC)CC#Cc1ccccc1 ZINC000567021523 326102669 /nfs/dbraw/zinc/10/26/69/326102669.db2.gz ZLGUMDZWXFDOEC-UHFFFAOYSA-N 1 0 229.367 3.549 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000567071658 326110877 /nfs/dbraw/zinc/11/08/77/326110877.db2.gz NKBUNDZTCACGJH-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)(C)[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000567071659 326110970 /nfs/dbraw/zinc/11/09/70/326110970.db2.gz NKBUNDZTCACGJH-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)C(C)(C)C ZINC000567108577 326113720 /nfs/dbraw/zinc/11/37/20/326113720.db2.gz VIHWLEWKHGWZCW-UHFFFAOYSA-N 1 0 244.382 3.718 20 30 BHEDRO Cc1cc(C)cc(C[N@H+](C)CCC(C)(C)C#N)c1 ZINC000567253101 326150666 /nfs/dbraw/zinc/15/06/66/326150666.db2.gz FMSVZOXDRIYSKL-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000567290935 326156910 /nfs/dbraw/zinc/15/69/10/326156910.db2.gz PSGBSILWUYKYNX-AWEZNQCLSA-N 1 0 232.371 3.787 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000567290936 326156983 /nfs/dbraw/zinc/15/69/83/326156983.db2.gz PSGBSILWUYKYNX-CQSZACIVSA-N 1 0 232.371 3.787 20 30 BHEDRO C=CC[N@@H+](CCCCCF)Cc1cccs1 ZINC000567296937 326158127 /nfs/dbraw/zinc/15/81/27/326158127.db2.gz BZGXBRQGVIYPSZ-UHFFFAOYSA-N 1 0 241.375 3.876 20 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C=C[C@H]1CCCC[N@H+]1[C@H](C)Cc1ccsc1 ZINC000567425510 326188073 /nfs/dbraw/zinc/18/80/73/326188073.db2.gz QYXLWASLWMDQCH-OCCSQVGLSA-N 1 0 235.396 3.720 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1[C@H](C)Cc1ccsc1 ZINC000567425511 326188279 /nfs/dbraw/zinc/18/82/79/326188279.db2.gz QYXLWASLWMDQCH-TZMCWYRMSA-N 1 0 235.396 3.720 20 30 BHEDRO C=CCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000567441317 326191809 /nfs/dbraw/zinc/19/18/09/326191809.db2.gz GJVPNDYDSZKFGY-GHMZBOCLSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000567441318 326192130 /nfs/dbraw/zinc/19/21/30/326192130.db2.gz GJVPNDYDSZKFGY-MNOVXSKESA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000567441319 326192171 /nfs/dbraw/zinc/19/21/71/326192171.db2.gz GJVPNDYDSZKFGY-QWRGUYRKSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000567441320 326192003 /nfs/dbraw/zinc/19/20/03/326192003.db2.gz GJVPNDYDSZKFGY-WDEREUQCSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCCCC[NH2+]C1CC2(CCC2)C1 ZINC000567487308 326202426 /nfs/dbraw/zinc/20/24/26/326202426.db2.gz JJLFLVRJCLRUSQ-UHFFFAOYSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCC[N@H+](Cc1ccccc1F)CC(C)C ZINC000567548880 326214844 /nfs/dbraw/zinc/21/48/44/326214844.db2.gz WQDLMVAGCPIEJJ-UHFFFAOYSA-N 1 0 235.346 3.860 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000567585151 326223032 /nfs/dbraw/zinc/22/30/32/326223032.db2.gz QZMYFHQVQONBKS-INIZCTEOSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567585152 326222978 /nfs/dbraw/zinc/22/29/78/326222978.db2.gz QZMYFHQVQONBKS-MRXNPFEDSA-N 1 0 244.382 3.617 20 30 BHEDRO C[C@@H](C#N)C[N@H+](CCCC1CCCCC1)C1CC1 ZINC000567601379 326226449 /nfs/dbraw/zinc/22/64/49/326226449.db2.gz PFVDJQQLNGCQSR-AWEZNQCLSA-N 1 0 248.414 3.971 20 30 BHEDRO C[C@H](C#N)C[N@H+](CCCC1CCCCC1)C1CC1 ZINC000567601380 326226150 /nfs/dbraw/zinc/22/61/50/326226150.db2.gz PFVDJQQLNGCQSR-CQSZACIVSA-N 1 0 248.414 3.971 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000567603588 326227055 /nfs/dbraw/zinc/22/70/55/326227055.db2.gz WBQQHUCCROINFO-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000567800763 326259647 /nfs/dbraw/zinc/25/96/47/326259647.db2.gz FTGIHVQTPGDGPZ-UHFFFAOYSA-N 1 0 229.367 3.844 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC000568134072 326311589 /nfs/dbraw/zinc/31/15/89/326311589.db2.gz MYARSZHNCKDSGL-UHFFFAOYSA-N 1 0 248.345 3.708 20 30 BHEDRO C=CCCCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000568176902 326320519 /nfs/dbraw/zinc/32/05/19/326320519.db2.gz HZJPRYVLOOQQDE-UHFFFAOYSA-N 1 0 242.366 3.527 20 30 BHEDRO C=CCCCC[NH2+][C@H](CC)c1nccs1 ZINC000568183655 326322754 /nfs/dbraw/zinc/32/27/54/326322754.db2.gz IRXVWKJPBYUOLB-LLVKDONJSA-N 1 0 224.373 3.540 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CC)c1nccs1 ZINC000568183656 326322788 /nfs/dbraw/zinc/32/27/88/326322788.db2.gz IRXVWKJPBYUOLB-NSHDSACASA-N 1 0 224.373 3.540 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000568238786 326332389 /nfs/dbraw/zinc/33/23/89/326332389.db2.gz COONNZTVTUNPMN-GFCCVEGCSA-N 1 0 236.334 3.618 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000568238787 326332220 /nfs/dbraw/zinc/33/22/20/326332220.db2.gz COONNZTVTUNPMN-LBPRGKRZSA-N 1 0 236.334 3.618 20 30 BHEDRO C=CCCC[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000568321565 326344884 /nfs/dbraw/zinc/34/48/84/326344884.db2.gz SXRYXWGGEDYGQF-HNNXBMFYSA-N 1 0 247.382 3.662 20 30 BHEDRO C=CCCC[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000568321566 326344940 /nfs/dbraw/zinc/34/49/40/326344940.db2.gz SXRYXWGGEDYGQF-OAHLLOKOSA-N 1 0 247.382 3.662 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc2occc2c1 ZINC000568329014 326344928 /nfs/dbraw/zinc/34/49/28/326344928.db2.gz YJNKOPOZELFKKH-UHFFFAOYSA-N 1 0 229.323 3.831 20 30 BHEDRO C=C(C)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000568340065 326345681 /nfs/dbraw/zinc/34/56/81/326345681.db2.gz UAQKIHUPFVEBLU-HNNXBMFYSA-N 1 0 215.340 3.790 20 30 BHEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000568340066 326345671 /nfs/dbraw/zinc/34/56/71/326345671.db2.gz UAQKIHUPFVEBLU-OAHLLOKOSA-N 1 0 215.340 3.790 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000568373999 326350653 /nfs/dbraw/zinc/35/06/53/326350653.db2.gz XTHQVYYNQHNHEG-CYBMUJFWSA-N 1 0 242.366 3.572 20 30 BHEDRO CC(C)C[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000568374000 326350540 /nfs/dbraw/zinc/35/05/40/326350540.db2.gz XTHQVYYNQHNHEG-ZDUSSCGKSA-N 1 0 242.366 3.572 20 30 BHEDRO CC1(C#N)CC[NH+](CCCC2CCCCC2)CC1 ZINC000568445368 326357078 /nfs/dbraw/zinc/35/70/78/326357078.db2.gz SGSOAEWRJBXUTG-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C=CCCCCC[NH2+]CC(C)(C)CCC#N ZINC000568779974 326377311 /nfs/dbraw/zinc/37/73/11/326377311.db2.gz RWEBTCYWHWXAKA-UHFFFAOYSA-N 1 0 222.376 3.652 20 30 BHEDRO C=CCCCCC[N@@H+]1CCCc2occc2C1 ZINC000568796354 326377591 /nfs/dbraw/zinc/37/75/91/326377591.db2.gz WRTQRCOGFDQEAB-UHFFFAOYSA-N 1 0 233.355 3.774 20 30 BHEDRO CCC(CC)(CC)C[NH+]1CCC(C)(C#N)CC1 ZINC000568910123 326382460 /nfs/dbraw/zinc/38/24/60/326382460.db2.gz ZFAOGKQTCSRQGX-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000568991506 326385409 /nfs/dbraw/zinc/38/54/09/326385409.db2.gz VARQWZQOARRTTR-CABCVRRESA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000568991508 326385332 /nfs/dbraw/zinc/38/53/32/326385332.db2.gz VARQWZQOARRTTR-GJZGRUSLSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000568991509 326385362 /nfs/dbraw/zinc/38/53/62/326385362.db2.gz VARQWZQOARRTTR-HUUCEWRRSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000568991511 326385368 /nfs/dbraw/zinc/38/53/68/326385368.db2.gz VARQWZQOARRTTR-LSDHHAIUSA-N 1 0 246.398 3.737 20 30 BHEDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000569002934 326386220 /nfs/dbraw/zinc/38/62/20/326386220.db2.gz IOEPICNUHRYLOI-JTQLQIEISA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000569002940 326386139 /nfs/dbraw/zinc/38/61/39/326386139.db2.gz IOEPICNUHRYLOI-SNVBAGLBSA-N 1 0 246.329 3.537 20 30 BHEDRO C=CCCCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000569070453 326388406 /nfs/dbraw/zinc/38/84/06/326388406.db2.gz KTYZKMASPUSAQL-LLVKDONJSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000569070454 326388533 /nfs/dbraw/zinc/38/85/33/326388533.db2.gz KTYZKMASPUSAQL-NSHDSACASA-N 1 0 237.309 3.909 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(CCC#N)CC1 ZINC000569123396 326391717 /nfs/dbraw/zinc/39/17/17/326391717.db2.gz LNLAOYGURZQIRS-GDBMZVCRSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(CCC#N)CC1 ZINC000569123411 326391868 /nfs/dbraw/zinc/39/18/68/326391868.db2.gz LNLAOYGURZQIRS-GOEBONIOSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(CCC#N)CC1 ZINC000569123412 326391689 /nfs/dbraw/zinc/39/16/89/326391689.db2.gz LNLAOYGURZQIRS-HOCLYGCPSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(CCC#N)CC1 ZINC000569123413 326391719 /nfs/dbraw/zinc/39/17/19/326391719.db2.gz LNLAOYGURZQIRS-ZBFHGGJFSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cncs1 ZINC000569138649 326392554 /nfs/dbraw/zinc/39/25/54/326392554.db2.gz POQGEDISDLDZPU-LLVKDONJSA-N 1 0 224.373 3.540 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cncs1 ZINC000569138650 326392620 /nfs/dbraw/zinc/39/26/20/326392620.db2.gz POQGEDISDLDZPU-NSHDSACASA-N 1 0 224.373 3.540 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]1SCC ZINC000569189279 326393986 /nfs/dbraw/zinc/39/39/86/326393986.db2.gz BTTYGJNRUYNPMP-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000569189280 326394062 /nfs/dbraw/zinc/39/40/62/326394062.db2.gz BTTYGJNRUYNPMP-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCC[C@H]1SCC ZINC000569189281 326394063 /nfs/dbraw/zinc/39/40/63/326394063.db2.gz BTTYGJNRUYNPMP-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H]1SCC ZINC000569189282 326394068 /nfs/dbraw/zinc/39/40/68/326394068.db2.gz BTTYGJNRUYNPMP-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)CC1 ZINC000569270291 326398662 /nfs/dbraw/zinc/39/86/62/326398662.db2.gz CISGTKBGXAQLOX-HDJSIYSDSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000569426332 384019251 /nfs/dbraw/zinc/01/92/51/384019251.db2.gz GUZHDBSRUSBVPH-HNNXBMFYSA-N 1 0 230.355 3.575 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000569426333 384018019 /nfs/dbraw/zinc/01/80/19/384018019.db2.gz GUZHDBSRUSBVPH-OAHLLOKOSA-N 1 0 230.355 3.575 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000569438501 384028283 /nfs/dbraw/zinc/02/82/83/384028283.db2.gz STSWAUNJOIUXCQ-GFCCVEGCSA-N 1 0 248.326 3.520 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000569438502 322966147 /nfs/dbraw/zinc/96/61/47/322966147.db2.gz STSWAUNJOIUXCQ-LBPRGKRZSA-N 1 0 248.326 3.520 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000569649217 323035514 /nfs/dbraw/zinc/03/55/14/323035514.db2.gz JOWNDGLMUDWXDB-KBPBESRZSA-N 1 0 247.382 3.743 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000569649223 323035534 /nfs/dbraw/zinc/03/55/34/323035534.db2.gz JOWNDGLMUDWXDB-KGLIPLIRSA-N 1 0 247.382 3.743 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000569649224 323035498 /nfs/dbraw/zinc/03/54/98/323035498.db2.gz JOWNDGLMUDWXDB-UONOGXRCSA-N 1 0 247.382 3.743 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000569649227 323035499 /nfs/dbraw/zinc/03/54/99/323035499.db2.gz JOWNDGLMUDWXDB-ZIAGYGMSSA-N 1 0 247.382 3.743 20 30 BHEDRO C=CCCCC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000569673703 323036359 /nfs/dbraw/zinc/03/63/59/323036359.db2.gz DMUCFIPFCKWYBZ-UHFFFAOYSA-N 1 0 238.400 3.633 20 30 BHEDRO C=CCCCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000569795998 323040813 /nfs/dbraw/zinc/04/08/13/323040813.db2.gz BWLDIDCQZGGKRJ-HNNXBMFYSA-N 1 0 215.340 3.790 20 30 BHEDRO C=CCCCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000569795999 323040834 /nfs/dbraw/zinc/04/08/34/323040834.db2.gz BWLDIDCQZGGKRJ-OAHLLOKOSA-N 1 0 215.340 3.790 20 30 BHEDRO CCC(CC)[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC000569884512 323043726 /nfs/dbraw/zinc/04/37/26/323043726.db2.gz TYHGQDMBUSTFIX-UHFFFAOYSA-N 1 0 247.357 3.688 20 30 BHEDRO CCCC[N@H+](CC1(C#N)CC1)C1CCCCC1 ZINC000569946488 323045259 /nfs/dbraw/zinc/04/52/59/323045259.db2.gz YWFXQNZPOTYWDY-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000570074742 323049337 /nfs/dbraw/zinc/04/93/37/323049337.db2.gz JEUWHSCDSJWIID-NRXISQOPSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000570074747 323049294 /nfs/dbraw/zinc/04/92/94/323049294.db2.gz JEUWHSCDSJWIID-YMAMQOFZSA-N 1 0 248.414 3.875 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1OC1CC1 ZINC000570127768 323050605 /nfs/dbraw/zinc/05/06/05/323050605.db2.gz CZAUVXDBPFWMCK-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000570136863 323050876 /nfs/dbraw/zinc/05/08/76/323050876.db2.gz QNCSJIKKWMWEIL-HSBZDZAISA-N 1 0 236.403 3.731 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000570136865 323050920 /nfs/dbraw/zinc/05/09/20/323050920.db2.gz QNCSJIKKWMWEIL-IYXRBSQSSA-N 1 0 236.403 3.731 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C1(CF)CCC1 ZINC000570164232 323051673 /nfs/dbraw/zinc/05/16/73/323051673.db2.gz MBKLKCWHIZEGJP-GFCCVEGCSA-N 1 0 213.340 3.603 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C1(CF)CCC1 ZINC000570164234 323051625 /nfs/dbraw/zinc/05/16/25/323051625.db2.gz MBKLKCWHIZEGJP-LBPRGKRZSA-N 1 0 213.340 3.603 20 30 BHEDRO C=CCCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000570196607 323052586 /nfs/dbraw/zinc/05/25/86/323052586.db2.gz UTXORDJGYPLLCQ-UHFFFAOYSA-N 1 0 249.320 3.911 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000570439710 323059486 /nfs/dbraw/zinc/05/94/86/323059486.db2.gz XNXNYYCTLWSILA-HWWQOWPSSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000570439711 323059483 /nfs/dbraw/zinc/05/94/83/323059483.db2.gz XNXNYYCTLWSILA-MKBNYLNASA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000570439712 323059504 /nfs/dbraw/zinc/05/95/04/323059504.db2.gz XNXNYYCTLWSILA-MQIPJXDCSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000570439713 323059502 /nfs/dbraw/zinc/05/95/02/323059502.db2.gz XNXNYYCTLWSILA-OZVIIMIRSA-N 1 0 242.366 3.570 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000570486569 323060798 /nfs/dbraw/zinc/06/07/98/323060798.db2.gz YCCOELXYUOMAKC-BCUIYNNISA-N 1 0 245.366 3.699 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000570486571 323060779 /nfs/dbraw/zinc/06/07/79/323060779.db2.gz YCCOELXYUOMAKC-JFILPPLUSA-N 1 0 245.366 3.699 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000570486572 323060722 /nfs/dbraw/zinc/06/07/22/323060722.db2.gz YCCOELXYUOMAKC-QCQGSNGOSA-N 1 0 245.366 3.699 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000570486573 323060708 /nfs/dbraw/zinc/06/07/08/323060708.db2.gz YCCOELXYUOMAKC-WFGGJUAMSA-N 1 0 245.366 3.699 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000570569336 323063411 /nfs/dbraw/zinc/06/34/11/323063411.db2.gz OGUOYWCTRAFNLZ-AGIUHOORSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000570569337 323063425 /nfs/dbraw/zinc/06/34/25/323063425.db2.gz OGUOYWCTRAFNLZ-AVGNSLFASA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000570569338 323063437 /nfs/dbraw/zinc/06/34/37/323063437.db2.gz OGUOYWCTRAFNLZ-FRRDWIJNSA-N 1 0 213.340 3.602 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000570569339 323063421 /nfs/dbraw/zinc/06/34/21/323063421.db2.gz OGUOYWCTRAFNLZ-RWMBFGLXSA-N 1 0 213.340 3.602 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000570586568 323064188 /nfs/dbraw/zinc/06/41/88/323064188.db2.gz AWVYRUSCMUTTET-KBXIAJHMSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000570586569 323064118 /nfs/dbraw/zinc/06/41/18/323064118.db2.gz AWVYRUSCMUTTET-TUVASFSCSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000570586570 323064149 /nfs/dbraw/zinc/06/41/49/323064149.db2.gz AWVYRUSCMUTTET-XGUBFFRZSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)(C)[C@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000570671903 323066517 /nfs/dbraw/zinc/06/65/17/323066517.db2.gz XYOIUCFXAFXEDN-KBPBESRZSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000570671904 323066470 /nfs/dbraw/zinc/06/64/70/323066470.db2.gz XYOIUCFXAFXEDN-KGLIPLIRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000570671905 323066572 /nfs/dbraw/zinc/06/65/72/323066572.db2.gz XYOIUCFXAFXEDN-UONOGXRCSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000570671906 323066698 /nfs/dbraw/zinc/06/66/98/323066698.db2.gz XYOIUCFXAFXEDN-ZIAGYGMSSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccc(C#N)c(C)c1 ZINC000570756509 323069482 /nfs/dbraw/zinc/06/94/82/323069482.db2.gz AICJRUCQPUZKKN-UHFFFAOYSA-N 1 0 244.382 3.877 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000570819812 323071570 /nfs/dbraw/zinc/07/15/70/323071570.db2.gz QPKCLMMRRBTJGZ-CYBMUJFWSA-N 1 0 233.330 3.581 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000570819815 323071588 /nfs/dbraw/zinc/07/15/88/323071588.db2.gz QPKCLMMRRBTJGZ-ZDUSSCGKSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000570830007 323071706 /nfs/dbraw/zinc/07/17/06/323071706.db2.gz COBZNEFRFQZGIV-IUDNXUCKSA-N 1 0 229.367 3.661 20 30 BHEDRO C=CC[C@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000570830008 323071778 /nfs/dbraw/zinc/07/17/78/323071778.db2.gz COBZNEFRFQZGIV-JEYLPNPQSA-N 1 0 229.367 3.661 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000571003196 323103314 /nfs/dbraw/zinc/10/33/14/323103314.db2.gz WJCGTZUTMQQGEG-PHIMTYICSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000571031646 323104141 /nfs/dbraw/zinc/10/41/41/323104141.db2.gz CGCNPONEMYLSHQ-UHFFFAOYSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(NCCC)cc1 ZINC000571150558 323136580 /nfs/dbraw/zinc/13/65/80/323136580.db2.gz CWGMWHYXRRHTCJ-AWEZNQCLSA-N 1 0 246.398 3.953 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(NCCC)cc1 ZINC000571150559 323136573 /nfs/dbraw/zinc/13/65/73/323136573.db2.gz CWGMWHYXRRHTCJ-CQSZACIVSA-N 1 0 246.398 3.953 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000571272425 323140129 /nfs/dbraw/zinc/14/01/29/323140129.db2.gz GULDMBGAQBNXFN-NFOMZHRRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000571272426 323140076 /nfs/dbraw/zinc/14/00/76/323140076.db2.gz GULDMBGAQBNXFN-WLYUNCDWSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CC[NH+](CC=C)[C@@H](C)CCc1ccccc1 ZINC000571359150 323142714 /nfs/dbraw/zinc/14/27/14/323142714.db2.gz JWEXLWNRVNYPLR-HNNXBMFYSA-N 1 0 229.367 3.682 20 30 BHEDRO C=CC[NH+](CC=C)[C@H](C)CCc1ccccc1 ZINC000571359156 323142675 /nfs/dbraw/zinc/14/26/75/323142675.db2.gz JWEXLWNRVNYPLR-OAHLLOKOSA-N 1 0 229.367 3.682 20 30 BHEDRO C=CCCCCC[NH2+]Cc1ncc(CC)s1 ZINC000571655720 323151303 /nfs/dbraw/zinc/15/13/03/323151303.db2.gz QALJJWBVCPVKNF-UHFFFAOYSA-N 1 0 238.400 3.542 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000571770671 387166165 /nfs/dbraw/zinc/16/61/65/387166165.db2.gz PYQGQKDSQSDZFX-HNNXBMFYSA-N 1 0 217.356 3.892 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000571770674 387164545 /nfs/dbraw/zinc/16/45/45/387164545.db2.gz PYQGQKDSQSDZFX-OAHLLOKOSA-N 1 0 217.356 3.892 20 30 BHEDRO Cc1cc(C[NH2+]CCCC(C)(C)C)ccc1C#N ZINC000571858417 323494421 /nfs/dbraw/zinc/49/44/21/323494421.db2.gz CGOOHDAVQXAFNY-UHFFFAOYSA-N 1 0 244.382 3.783 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000572053342 386466660 /nfs/dbraw/zinc/46/66/60/386466660.db2.gz NVSIXXIONQMQKB-UHFFFAOYSA-N 1 0 248.345 3.708 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000572092602 323536630 /nfs/dbraw/zinc/53/66/30/323536630.db2.gz PVCUEKFHDHCBNB-HNNXBMFYSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000572092603 323536668 /nfs/dbraw/zinc/53/66/68/323536668.db2.gz PVCUEKFHDHCBNB-OAHLLOKOSA-N 1 0 245.366 3.628 20 30 BHEDRO C[C@@H]([N@H+](C)Cc1cccc(F)c1C#N)C(C)(C)C ZINC000572095617 386496854 /nfs/dbraw/zinc/49/68/54/386496854.db2.gz UHYTZBPJSUKLLF-LLVKDONJSA-N 1 0 248.345 3.564 20 30 BHEDRO C[C@H]([N@H+](C)Cc1cccc(F)c1C#N)C(C)(C)C ZINC000572095621 386494861 /nfs/dbraw/zinc/49/48/61/386494861.db2.gz UHYTZBPJSUKLLF-NSHDSACASA-N 1 0 248.345 3.564 20 30 BHEDRO CCCC[C@H](C)[N@H+](CCCC)CC1(C#N)CC1 ZINC000572140151 387247956 /nfs/dbraw/zinc/24/79/56/387247956.db2.gz VQHLCZKFDCTNSX-AWEZNQCLSA-N 1 0 236.403 3.971 20 30 BHEDRO CCCC[C@@H](C)[N@H+](CCCC)CC1(C#N)CC1 ZINC000572140152 387247515 /nfs/dbraw/zinc/24/75/15/387247515.db2.gz VQHLCZKFDCTNSX-CQSZACIVSA-N 1 0 236.403 3.971 20 30 BHEDRO C=CCCCC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000572353110 387341552 /nfs/dbraw/zinc/34/15/52/387341552.db2.gz FVUOACNMNPWWKM-GFCCVEGCSA-N 1 0 238.400 3.535 20 30 BHEDRO C=CCCCC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000572353111 387342414 /nfs/dbraw/zinc/34/24/14/387342414.db2.gz FVUOACNMNPWWKM-LBPRGKRZSA-N 1 0 238.400 3.535 20 30 BHEDRO C[N@H+](CCC1(C#N)CCCCC1)C(C)(C)C ZINC000572480497 324121254 /nfs/dbraw/zinc/12/12/54/324121254.db2.gz OFMCRSNPADVPBJ-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO CC(C)(C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000572571750 388967074 /nfs/dbraw/zinc/96/70/74/388967074.db2.gz RSRHDLDJTYCMJE-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO C=C(C)CC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000572607969 323059251 /nfs/dbraw/zinc/05/92/51/323059251.db2.gz OPTLITTZWJOZSJ-UHFFFAOYSA-N 1 0 231.339 3.725 20 30 BHEDRO C=C1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000572646761 388363609 /nfs/dbraw/zinc/36/36/09/388363609.db2.gz JWMZRCWFYHEQIC-IHWYPQMZSA-N 1 0 249.304 3.630 20 30 BHEDRO C=C1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000572646762 388362856 /nfs/dbraw/zinc/36/28/56/388362856.db2.gz JWMZRCWFYHEQIC-NSCUHMNNSA-N 1 0 249.304 3.630 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000572692830 388366621 /nfs/dbraw/zinc/36/66/21/388366621.db2.gz RLJRHXCBFIAQGJ-INIZCTEOSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000572692831 388366431 /nfs/dbraw/zinc/36/64/31/388366431.db2.gz RLJRHXCBFIAQGJ-MRXNPFEDSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccco1 ZINC000572731704 388370490 /nfs/dbraw/zinc/37/04/90/388370490.db2.gz VKBGCSVQNIYQDN-XQQFMLRXSA-N 1 0 237.318 3.767 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccco1 ZINC000572731705 388370511 /nfs/dbraw/zinc/37/05/11/388370511.db2.gz VKBGCSVQNIYQDN-YNEHKIRRSA-N 1 0 237.318 3.767 20 30 BHEDRO C=CCC[NH2+]C(C)(C)c1ccc(OCCC)cc1 ZINC000572738370 326408073 /nfs/dbraw/zinc/40/80/73/326408073.db2.gz AZRDZDZOHIDWJP-UHFFFAOYSA-N 1 0 247.382 3.876 20 30 BHEDRO CC(C)C1CCC(C[N@H+](C)C[C@@H](C)C#N)CC1 ZINC000572801680 388377770 /nfs/dbraw/zinc/37/77/70/388377770.db2.gz YMSKVSSELAIKPT-NFOMZHRRSA-N 1 0 236.403 3.540 20 30 BHEDRO CC(C)C1CCC(C[N@H+](C)C[C@H](C)C#N)CC1 ZINC000572801681 388378061 /nfs/dbraw/zinc/37/80/61/388378061.db2.gz YMSKVSSELAIKPT-WLYUNCDWSA-N 1 0 236.403 3.540 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000572949534 388395520 /nfs/dbraw/zinc/39/55/20/388395520.db2.gz YFMQORCISYWKEI-AWEZNQCLSA-N 1 0 218.344 3.508 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000572949535 388395079 /nfs/dbraw/zinc/39/50/79/388395079.db2.gz YFMQORCISYWKEI-CQSZACIVSA-N 1 0 218.344 3.508 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000573070667 388417698 /nfs/dbraw/zinc/41/76/98/388417698.db2.gz CVEGSFDTNMMXEW-GFCCVEGCSA-N 1 0 207.317 3.629 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000573070668 388418624 /nfs/dbraw/zinc/41/86/24/388418624.db2.gz CVEGSFDTNMMXEW-LBPRGKRZSA-N 1 0 207.317 3.629 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000573175188 388427789 /nfs/dbraw/zinc/42/77/89/388427789.db2.gz XIDDSAFXHBAIBH-LLVKDONJSA-N 1 0 238.400 3.676 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000573175189 326433244 /nfs/dbraw/zinc/43/32/44/326433244.db2.gz XIDDSAFXHBAIBH-NSHDSACASA-N 1 0 238.400 3.676 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCC12CCC2 ZINC000573265909 364789945 /nfs/dbraw/zinc/78/99/45/364789945.db2.gz NAXANFLCKWPYQB-CYBMUJFWSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCC12CCC2 ZINC000573265910 364790522 /nfs/dbraw/zinc/79/05/22/364790522.db2.gz NAXANFLCKWPYQB-ZDUSSCGKSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCc1cccc(C)n1 ZINC000573482290 364844497 /nfs/dbraw/zinc/84/44/97/364844497.db2.gz HVOXREOJABRZIB-UHFFFAOYSA-N 1 0 246.398 3.611 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000573553099 364859060 /nfs/dbraw/zinc/85/90/60/364859060.db2.gz SQKUZTPHENHAKF-HNNXBMFYSA-N 1 0 247.357 3.656 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000573553100 364859413 /nfs/dbraw/zinc/85/94/13/364859413.db2.gz SQKUZTPHENHAKF-OAHLLOKOSA-N 1 0 247.357 3.656 20 30 BHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)CC1(C)CC1 ZINC000573659279 364885220 /nfs/dbraw/zinc/88/52/20/364885220.db2.gz PQFXGRSAMXFADG-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C[C@@H](CC[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000573869546 364936554 /nfs/dbraw/zinc/93/65/54/364936554.db2.gz OHMAYOKAOYULQR-AWEZNQCLSA-N 1 0 244.382 3.662 20 30 BHEDRO C[C@H](CC[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000573869550 364937071 /nfs/dbraw/zinc/93/70/71/364937071.db2.gz OHMAYOKAOYULQR-CQSZACIVSA-N 1 0 244.382 3.662 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000574090694 364985784 /nfs/dbraw/zinc/98/57/84/364985784.db2.gz VQPLFGLWPLNCRZ-LLVKDONJSA-N 1 0 236.384 3.630 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000574090698 364986170 /nfs/dbraw/zinc/98/61/70/364986170.db2.gz VQPLFGLWPLNCRZ-NSHDSACASA-N 1 0 236.384 3.630 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000574164362 364999585 /nfs/dbraw/zinc/99/95/85/364999585.db2.gz GSALUMVWYXFHAW-DZGCQCFKSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000574164364 364999792 /nfs/dbraw/zinc/99/97/92/364999792.db2.gz GSALUMVWYXFHAW-HIFRSBDPSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000574164366 364999825 /nfs/dbraw/zinc/99/98/25/364999825.db2.gz GSALUMVWYXFHAW-UKRRQHHQSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000574164368 364999302 /nfs/dbraw/zinc/99/93/02/364999302.db2.gz GSALUMVWYXFHAW-ZFWWWQNUSA-N 1 0 246.398 3.604 20 30 BHEDRO C=CCC[C@@H]([NH2+]C1CC(C)(C)C1)C1CC1 ZINC000574292659 365032477 /nfs/dbraw/zinc/03/24/77/365032477.db2.gz QHMYGBWPPUIXAY-CYBMUJFWSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+]C1CC(C)(C)C1)C1CC1 ZINC000574292660 365032334 /nfs/dbraw/zinc/03/23/34/365032334.db2.gz QHMYGBWPPUIXAY-ZDUSSCGKSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)c1ncccc1C ZINC000574369849 365045426 /nfs/dbraw/zinc/04/54/26/365045426.db2.gz QLPFTABZBRIBSE-AWEZNQCLSA-N 1 0 246.398 3.612 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)c1ncccc1C ZINC000574369850 365045342 /nfs/dbraw/zinc/04/53/42/365045342.db2.gz QLPFTABZBRIBSE-CQSZACIVSA-N 1 0 246.398 3.612 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000574414575 365057724 /nfs/dbraw/zinc/05/77/24/365057724.db2.gz OIFKNXAPMIVIFO-KBPBESRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000574414578 365057766 /nfs/dbraw/zinc/05/77/66/365057766.db2.gz OIFKNXAPMIVIFO-KGLIPLIRSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000574414579 365057954 /nfs/dbraw/zinc/05/79/54/365057954.db2.gz OIFKNXAPMIVIFO-UONOGXRCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000574414581 365057374 /nfs/dbraw/zinc/05/73/74/365057374.db2.gz OIFKNXAPMIVIFO-ZIAGYGMSSA-N 1 0 207.361 3.511 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccc(C#N)s1 ZINC000574437083 365061681 /nfs/dbraw/zinc/06/16/81/365061681.db2.gz UNPRTQDCZOCAJM-UHFFFAOYSA-N 1 0 236.384 3.630 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000574701132 344968672 /nfs/dbraw/zinc/96/86/72/344968672.db2.gz QWBONHRKDUTIMQ-INIZCTEOSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000574701133 344969022 /nfs/dbraw/zinc/96/90/22/344969022.db2.gz QWBONHRKDUTIMQ-MRXNPFEDSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCC12CC2 ZINC000574823670 365154466 /nfs/dbraw/zinc/15/44/66/365154466.db2.gz MMDJNMFONBZWDL-GFCCVEGCSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCC12CC2 ZINC000574823678 365154443 /nfs/dbraw/zinc/15/44/43/365154443.db2.gz MMDJNMFONBZWDL-LBPRGKRZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000574879023 365166096 /nfs/dbraw/zinc/16/60/96/365166096.db2.gz KORMUFPVMFZQAL-UHFFFAOYSA-N 1 0 238.400 3.633 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000574960818 384452865 /nfs/dbraw/zinc/45/28/65/384452865.db2.gz CINBLANHGBVOPU-DVOMOZLQSA-N 1 0 245.366 3.843 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000574960819 384452932 /nfs/dbraw/zinc/45/29/32/384452932.db2.gz CINBLANHGBVOPU-HEHGZKQESA-N 1 0 245.366 3.843 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000574960820 384453431 /nfs/dbraw/zinc/45/34/31/384453431.db2.gz CINBLANHGBVOPU-WWGRRREGSA-N 1 0 245.366 3.843 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000574960821 384453054 /nfs/dbraw/zinc/45/30/54/384453054.db2.gz CINBLANHGBVOPU-XEZPLFJOSA-N 1 0 245.366 3.843 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000574963005 346472705 /nfs/dbraw/zinc/47/27/05/346472705.db2.gz SYVQOZKXBSYGDW-NEPJUHHUSA-N 1 0 231.330 3.708 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000574963007 346472566 /nfs/dbraw/zinc/47/25/66/346472566.db2.gz SYVQOZKXBSYGDW-NWDGAFQWSA-N 1 0 231.330 3.708 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000574963009 346472652 /nfs/dbraw/zinc/47/26/52/346472652.db2.gz SYVQOZKXBSYGDW-RYUDHWBXSA-N 1 0 231.330 3.708 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000574963010 346472660 /nfs/dbraw/zinc/47/26/60/346472660.db2.gz SYVQOZKXBSYGDW-VXGBXAGGSA-N 1 0 231.330 3.708 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000574999204 361232402 /nfs/dbraw/zinc/23/24/02/361232402.db2.gz FFRIERPXTRSMAO-CYBMUJFWSA-N 1 0 233.355 3.741 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000574999205 361232848 /nfs/dbraw/zinc/23/28/48/361232848.db2.gz FFRIERPXTRSMAO-ZDUSSCGKSA-N 1 0 233.355 3.741 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cscn1 ZINC000575001296 361285190 /nfs/dbraw/zinc/28/51/90/361285190.db2.gz CMLYEHAERMWKDO-LLVKDONJSA-N 1 0 224.373 3.540 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cscn1 ZINC000575001297 361284914 /nfs/dbraw/zinc/28/49/14/361284914.db2.gz CMLYEHAERMWKDO-NSHDSACASA-N 1 0 224.373 3.540 20 30 BHEDRO C=CCCCC[N@@H+](C)CCc1cccs1 ZINC000575084426 365192347 /nfs/dbraw/zinc/19/23/47/365192347.db2.gz FRQKPGWPADALBK-UHFFFAOYSA-N 1 0 223.385 3.579 20 30 BHEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccccc3)C[C@H](C1)C2 ZINC000575471323 387106519 /nfs/dbraw/zinc/10/65/19/387106519.db2.gz UKLOTJROAHOQJY-SJPCQFCGSA-N 1 0 241.378 3.911 20 30 BHEDRO CCC(CC)[N@H+](CC)CCCC(C)(C)C#N ZINC000575503817 365328107 /nfs/dbraw/zinc/32/81/07/365328107.db2.gz FYEIYVWAMZIMJR-UHFFFAOYSA-N 1 0 224.392 3.827 20 30 BHEDRO CCCC[C@H]([NH2+]Cc1ccc(C#N)o1)C1CCC1 ZINC000575598873 365332225 /nfs/dbraw/zinc/33/22/25/365332225.db2.gz JGKGMJJATVLUTK-HNNXBMFYSA-N 1 0 246.354 3.600 20 30 BHEDRO CCCC[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCC1 ZINC000575598877 365332633 /nfs/dbraw/zinc/33/26/33/365332633.db2.gz JGKGMJJATVLUTK-OAHLLOKOSA-N 1 0 246.354 3.600 20 30 BHEDRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000575746911 365350800 /nfs/dbraw/zinc/35/08/00/365350800.db2.gz UGFNVANGSMBTKH-HNNXBMFYSA-N 1 0 240.350 3.542 20 30 BHEDRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000575746912 365350935 /nfs/dbraw/zinc/35/09/35/365350935.db2.gz UGFNVANGSMBTKH-OAHLLOKOSA-N 1 0 240.350 3.542 20 30 BHEDRO C=CCCCCC[NH2+]Cc1cc2cccnc2o1 ZINC000575762363 365358458 /nfs/dbraw/zinc/35/84/58/365358458.db2.gz RGFISONLCGBBPM-UHFFFAOYSA-N 1 0 244.338 3.664 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+](CCC#N)C(C)C)C1 ZINC000575844048 365381286 /nfs/dbraw/zinc/38/12/86/365381286.db2.gz JLDLIHWJUDMEJA-DZGCQCFKSA-N 1 0 234.387 3.603 20 30 BHEDRO CC1=C[C@@H](C)C[C@H](C[N@@H+](CCC#N)C(C)C)C1 ZINC000575844049 365381306 /nfs/dbraw/zinc/38/13/06/365381306.db2.gz JLDLIHWJUDMEJA-HIFRSBDPSA-N 1 0 234.387 3.603 20 30 BHEDRO CC(C)[N@H+](CCC#N)C[C@@H](C)c1ccc(F)cc1 ZINC000575862306 365388947 /nfs/dbraw/zinc/38/89/47/365388947.db2.gz LEKWIRCQPGCDKD-CYBMUJFWSA-N 1 0 248.345 3.553 20 30 BHEDRO CC(C)[N@H+](CCC#N)C[C@H](C)c1ccc(F)cc1 ZINC000575862307 365389155 /nfs/dbraw/zinc/38/91/55/365389155.db2.gz LEKWIRCQPGCDKD-ZDUSSCGKSA-N 1 0 248.345 3.553 20 30 BHEDRO C=CCCCCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000576002021 365443711 /nfs/dbraw/zinc/44/37/11/365443711.db2.gz PBIPVWSXQKCINU-UHFFFAOYSA-N 1 0 249.402 3.608 20 30 BHEDRO CC[C@H]([NH2+]CCCC1CC1)c1ccc(C#N)cc1 ZINC000576098664 365483389 /nfs/dbraw/zinc/48/33/89/365483389.db2.gz DPQOJEZMXQAFCZ-INIZCTEOSA-N 1 0 242.366 3.789 20 30 BHEDRO CC[C@@H]([NH2+]CCCC1CC1)c1ccc(C#N)cc1 ZINC000576098665 365482835 /nfs/dbraw/zinc/48/28/35/365482835.db2.gz DPQOJEZMXQAFCZ-MRXNPFEDSA-N 1 0 242.366 3.789 20 30 BHEDRO CC#CC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000576234458 365532036 /nfs/dbraw/zinc/53/20/36/365532036.db2.gz DUTHXGVTCOODDE-GFCCVEGCSA-N 1 0 241.309 3.653 20 30 BHEDRO CC#CC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000576234459 365532185 /nfs/dbraw/zinc/53/21/85/365532185.db2.gz DUTHXGVTCOODDE-LBPRGKRZSA-N 1 0 241.309 3.653 20 30 BHEDRO CCC(C)(C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000576317629 365564187 /nfs/dbraw/zinc/56/41/87/365564187.db2.gz MAJSIUZGGKGKRR-HNNXBMFYSA-N 1 0 242.366 3.571 20 30 BHEDRO CCC(C)(C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000576317631 365564512 /nfs/dbraw/zinc/56/45/12/365564512.db2.gz MAJSIUZGGKGKRR-OAHLLOKOSA-N 1 0 242.366 3.571 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000576345752 365571553 /nfs/dbraw/zinc/57/15/53/365571553.db2.gz NTRWBKVPAXZCTK-INIZCTEOSA-N 1 0 242.366 3.587 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000576345756 365572642 /nfs/dbraw/zinc/57/26/42/365572642.db2.gz NTRWBKVPAXZCTK-MRXNPFEDSA-N 1 0 242.366 3.587 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC1(COC)CCCCC1 ZINC000576389583 365582294 /nfs/dbraw/zinc/58/22/94/365582294.db2.gz BVTPFYREOVZLQY-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC1(COC)CCCCC1 ZINC000576389586 365583086 /nfs/dbraw/zinc/58/30/86/365583086.db2.gz BVTPFYREOVZLQY-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000576427675 365594037 /nfs/dbraw/zinc/59/40/37/365594037.db2.gz ZBIKLMXJNTVKDW-HNNXBMFYSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000576427679 365593811 /nfs/dbraw/zinc/59/38/11/365593811.db2.gz ZBIKLMXJNTVKDW-OAHLLOKOSA-N 1 0 245.366 3.530 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+](C[C@@H](C)C#N)C2CC2)C1 ZINC000576438612 365594909 /nfs/dbraw/zinc/59/49/09/365594909.db2.gz SHPVECMKLVWGNU-AEGPPILISA-N 1 0 246.398 3.603 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[N@@H+](C[C@H](C)C#N)C2CC2)C1 ZINC000576438613 365595073 /nfs/dbraw/zinc/59/50/73/365595073.db2.gz SHPVECMKLVWGNU-CFVMTHIKSA-N 1 0 246.398 3.603 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+](C[C@H](C)C#N)C2CC2)C1 ZINC000576438615 365594963 /nfs/dbraw/zinc/59/49/63/365594963.db2.gz SHPVECMKLVWGNU-NWANDNLSSA-N 1 0 246.398 3.603 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[N@@H+](C[C@@H](C)C#N)C2CC2)C1 ZINC000576438616 365595449 /nfs/dbraw/zinc/59/54/49/365595449.db2.gz SHPVECMKLVWGNU-QEJZJMRPSA-N 1 0 246.398 3.603 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1 ZINC000576453373 365600351 /nfs/dbraw/zinc/60/03/51/365600351.db2.gz SNALFFWGPDFTIP-BMFZPTHFSA-N 1 0 229.367 3.940 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000576453379 365599388 /nfs/dbraw/zinc/59/93/88/365599388.db2.gz SNALFFWGPDFTIP-BPUTZDHNSA-N 1 0 229.367 3.940 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000576453380 365599676 /nfs/dbraw/zinc/59/96/76/365599676.db2.gz SNALFFWGPDFTIP-IMJJTQAJSA-N 1 0 229.367 3.940 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000576453381 365598131 /nfs/dbraw/zinc/59/81/31/365598131.db2.gz SNALFFWGPDFTIP-KBMXLJTQSA-N 1 0 229.367 3.940 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000576501323 365612442 /nfs/dbraw/zinc/61/24/42/365612442.db2.gz YRVGUXMPCUWENS-HNNXBMFYSA-N 1 0 233.355 3.654 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000576501324 365612558 /nfs/dbraw/zinc/61/25/58/365612558.db2.gz YRVGUXMPCUWENS-OAHLLOKOSA-N 1 0 233.355 3.654 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000576540414 365622016 /nfs/dbraw/zinc/62/20/16/365622016.db2.gz NAJDKGPUBIAWBA-KRWDZBQOSA-N 1 0 243.394 3.826 20 30 BHEDRO CC(C)CCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000576601845 365637537 /nfs/dbraw/zinc/63/75/37/365637537.db2.gz QFGQWIHHRHZCEX-CVEARBPZSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)CCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000576601846 365638523 /nfs/dbraw/zinc/63/85/23/365638523.db2.gz QFGQWIHHRHZCEX-HOTGVXAUSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)CCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000576601847 365638481 /nfs/dbraw/zinc/63/84/81/365638481.db2.gz QFGQWIHHRHZCEX-HZPDHXFCSA-N 1 0 248.414 3.827 20 30 BHEDRO CC(C)CCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000576601848 365637833 /nfs/dbraw/zinc/63/78/33/365637833.db2.gz QFGQWIHHRHZCEX-JKSUJKDBSA-N 1 0 248.414 3.827 20 30 BHEDRO C=CCCC[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000576784380 365684765 /nfs/dbraw/zinc/68/47/65/365684765.db2.gz FQAQIQIQQRJOCQ-UHFFFAOYSA-N 1 0 242.366 3.841 20 30 BHEDRO C=CCCC[NH2+]CC1(CCOC)CCCCC1 ZINC000576784508 365685055 /nfs/dbraw/zinc/68/50/55/365685055.db2.gz LMIQHKLUNFNDDM-UHFFFAOYSA-N 1 0 239.403 3.529 20 30 BHEDRO C=C(C)CC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000576785134 365685096 /nfs/dbraw/zinc/68/50/96/365685096.db2.gz MAHXUXAWSXFUGQ-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000576796020 365686435 /nfs/dbraw/zinc/68/64/35/365686435.db2.gz XHZAMCMKLCVSRM-BBRMVZONSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000576796021 365687325 /nfs/dbraw/zinc/68/73/25/365687325.db2.gz XHZAMCMKLCVSRM-CJNGLKHVSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000576796022 365686495 /nfs/dbraw/zinc/68/64/95/365686495.db2.gz XHZAMCMKLCVSRM-CZUORRHYSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000576796023 365687220 /nfs/dbraw/zinc/68/72/20/365687220.db2.gz XHZAMCMKLCVSRM-XJKSGUPXSA-N 1 0 246.398 3.604 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000576805669 365689446 /nfs/dbraw/zinc/68/94/46/365689446.db2.gz BXPFCRJRTNJABF-IJLUTSLNSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000576805670 365689495 /nfs/dbraw/zinc/68/94/95/365689495.db2.gz BXPFCRJRTNJABF-UTUOFQBUSA-N 1 0 248.757 3.683 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000576805671 365689645 /nfs/dbraw/zinc/68/96/45/365689645.db2.gz BXPFCRJRTNJABF-WOPDTQHZSA-N 1 0 248.757 3.683 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1noc2ccccc21 ZINC000576836351 365700465 /nfs/dbraw/zinc/70/04/65/365700465.db2.gz BJMVMWMBVISWMS-GFCCVEGCSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1noc2ccccc21 ZINC000576836352 365700682 /nfs/dbraw/zinc/70/06/82/365700682.db2.gz BJMVMWMBVISWMS-LBPRGKRZSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)Cc1ccoc1 ZINC000577004931 365753715 /nfs/dbraw/zinc/75/37/15/365753715.db2.gz RJKPLHFPWLLSEJ-CYBMUJFWSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000577004933 365753908 /nfs/dbraw/zinc/75/39/08/365753908.db2.gz RJKPLHFPWLLSEJ-ZDUSSCGKSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCCC[NH2+]Cc1ccccc1OCC1CC1 ZINC000577028595 365775167 /nfs/dbraw/zinc/77/51/67/365775167.db2.gz JKOWPBJYBNICQT-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO CC[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000577074536 365805251 /nfs/dbraw/zinc/80/52/51/365805251.db2.gz GOBXHFGLTKASFR-HNNXBMFYSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000577074543 365805268 /nfs/dbraw/zinc/80/52/68/365805268.db2.gz GOBXHFGLTKASFR-OAHLLOKOSA-N 1 0 242.366 3.788 20 30 BHEDRO C=C(CC)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000577083963 365809680 /nfs/dbraw/zinc/80/96/80/365809680.db2.gz YHMHPMULIQOWFR-UHFFFAOYSA-N 1 0 235.293 3.617 20 30 BHEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)C(C)(C)C ZINC000577114840 365822296 /nfs/dbraw/zinc/82/22/96/365822296.db2.gz MYEQPUYKZFNSQF-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](CC)c1ccncc1 ZINC000577123948 365826792 /nfs/dbraw/zinc/82/67/92/365826792.db2.gz ALNUPJGXIWBFFW-HNNXBMFYSA-N 1 0 232.371 3.869 20 30 BHEDRO C=CCCCCC[NH2+][C@H](CC)c1ccncc1 ZINC000577123949 365828891 /nfs/dbraw/zinc/82/88/91/365828891.db2.gz ALNUPJGXIWBFFW-OAHLLOKOSA-N 1 0 232.371 3.869 20 30 BHEDRO CCC(CC)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000577151706 365838692 /nfs/dbraw/zinc/83/86/92/365838692.db2.gz MRALGHYKTDNWRW-INIZCTEOSA-N 1 0 242.366 3.571 20 30 BHEDRO CCC(CC)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000577151707 365838753 /nfs/dbraw/zinc/83/87/53/365838753.db2.gz MRALGHYKTDNWRW-MRXNPFEDSA-N 1 0 242.366 3.571 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000577152516 365839647 /nfs/dbraw/zinc/83/96/47/365839647.db2.gz NNIXEMUZECYJOM-LLVKDONJSA-N 1 0 236.384 3.630 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000577152517 365840346 /nfs/dbraw/zinc/84/03/46/365840346.db2.gz NNIXEMUZECYJOM-NSHDSACASA-N 1 0 236.384 3.630 20 30 BHEDRO CC(C)CC(CC(C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000577403444 365947234 /nfs/dbraw/zinc/94/72/34/365947234.db2.gz MCPCJJJMSKNAMI-UHFFFAOYSA-N 1 0 248.370 3.702 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ncccc1C ZINC000577410148 365948120 /nfs/dbraw/zinc/94/81/20/365948120.db2.gz DQFGZXAIQLLNDZ-AWEZNQCLSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ncccc1C ZINC000577410149 365947913 /nfs/dbraw/zinc/94/79/13/365947913.db2.gz DQFGZXAIQLLNDZ-CQSZACIVSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCC1([NH2+]Cc2ccncc2C)CCCCC1 ZINC000577467199 365960833 /nfs/dbraw/zinc/96/08/33/365960833.db2.gz ZPTGMPHQBGBAST-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000577546171 365983653 /nfs/dbraw/zinc/98/36/53/365983653.db2.gz ZJMNAXMTWLZFKZ-KRWDZBQOSA-N 1 0 243.394 3.826 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000577546172 365984127 /nfs/dbraw/zinc/98/41/27/365984127.db2.gz ZJMNAXMTWLZFKZ-QGZVFWFLSA-N 1 0 243.394 3.826 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000577665120 366033523 /nfs/dbraw/zinc/03/35/23/366033523.db2.gz BNNNRMNOTXIYHZ-GFCCVEGCSA-N 1 0 248.345 3.708 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000577665121 366033466 /nfs/dbraw/zinc/03/34/66/366033466.db2.gz BNNNRMNOTXIYHZ-LBPRGKRZSA-N 1 0 248.345 3.708 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)C(O)(CC)CC ZINC000577747806 366052255 /nfs/dbraw/zinc/05/22/55/366052255.db2.gz AGZBFYBQCUPGGL-CYBMUJFWSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)C(O)(CC)CC ZINC000577747807 366051601 /nfs/dbraw/zinc/05/16/01/366051601.db2.gz AGZBFYBQCUPGGL-ZDUSSCGKSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)CC1(C)CC1 ZINC000577813008 366067034 /nfs/dbraw/zinc/06/70/34/366067034.db2.gz SCYLJILMXBNTEM-UHFFFAOYSA-N 1 0 221.369 3.536 20 30 BHEDRO C=CCCC[N@H+](CC=C)Cc1ccccc1F ZINC000577915137 366101411 /nfs/dbraw/zinc/10/14/11/366101411.db2.gz RYOPCXQSHDGBSJ-UHFFFAOYSA-N 1 0 233.330 3.780 20 30 BHEDRO CC[N@H+](CCC1CCCCCC1)C[C@@H](C)C#N ZINC000577985803 366160468 /nfs/dbraw/zinc/16/04/68/366160468.db2.gz LYVDFVFCECZFJK-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[N@H+](CCC1CCCCCC1)C[C@H](C)C#N ZINC000577985804 366160421 /nfs/dbraw/zinc/16/04/21/366160421.db2.gz LYVDFVFCECZFJK-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)C1CCSCC1 ZINC000578026153 366190345 /nfs/dbraw/zinc/19/03/45/366190345.db2.gz KSEIWBKUSPXYML-CYBMUJFWSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)C1CCSCC1 ZINC000578026154 366190476 /nfs/dbraw/zinc/19/04/76/366190476.db2.gz KSEIWBKUSPXYML-ZDUSSCGKSA-N 1 0 241.444 3.854 20 30 BHEDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000578048908 366202779 /nfs/dbraw/zinc/20/27/79/366202779.db2.gz XVDQKWIVKVBRAV-KKUMJFAQSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000578048909 366202998 /nfs/dbraw/zinc/20/29/98/366202998.db2.gz XVDQKWIVKVBRAV-RRFJBIMHSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000578048910 366202553 /nfs/dbraw/zinc/20/25/53/366202553.db2.gz XVDQKWIVKVBRAV-SOUVJXGZSA-N 1 0 242.366 3.646 20 30 BHEDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000578048911 366202547 /nfs/dbraw/zinc/20/25/47/366202547.db2.gz XVDQKWIVKVBRAV-ZNMIVQPWSA-N 1 0 242.366 3.646 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000578234462 366465236 /nfs/dbraw/zinc/46/52/36/366465236.db2.gz AZXQJPITANCTMU-GDBMZVCRSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000578234463 366464488 /nfs/dbraw/zinc/46/44/88/366464488.db2.gz AZXQJPITANCTMU-GOEBONIOSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000578234464 366464665 /nfs/dbraw/zinc/46/46/65/366464665.db2.gz AZXQJPITANCTMU-HOCLYGCPSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000578234465 344737214 /nfs/dbraw/zinc/73/72/14/344737214.db2.gz AZXQJPITANCTMU-ZBFHGGJFSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCCC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000578263601 366472733 /nfs/dbraw/zinc/47/27/33/366472733.db2.gz MHQHELKPHGPVBK-KRWDZBQOSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCCC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000578263602 366473049 /nfs/dbraw/zinc/47/30/49/366473049.db2.gz MHQHELKPHGPVBK-QGZVFWFLSA-N 1 0 243.394 3.872 20 30 BHEDRO C=CCCCC[N@H+](Cc1ccccn1)C(C)C ZINC000578292652 366475856 /nfs/dbraw/zinc/47/58/56/366475856.db2.gz LEQKPOSHGYNVGJ-UHFFFAOYSA-N 1 0 232.371 3.648 20 30 BHEDRO C=CCCCCC[NH2+]Cc1cnc(CC)s1 ZINC000578453367 366573435 /nfs/dbraw/zinc/57/34/35/366573435.db2.gz QFVISNWWEPNZHD-UHFFFAOYSA-N 1 0 238.400 3.542 20 30 BHEDRO C=C(CC)C[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000578459429 366574618 /nfs/dbraw/zinc/57/46/18/366574618.db2.gz NYJWIDAUCXATSO-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000578472619 366576722 /nfs/dbraw/zinc/57/67/22/366576722.db2.gz HRRVMWLGINJRSA-GDBMZVCRSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000578472620 366575804 /nfs/dbraw/zinc/57/58/04/366575804.db2.gz HRRVMWLGINJRSA-GOEBONIOSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000578472621 366576339 /nfs/dbraw/zinc/57/63/39/366576339.db2.gz HRRVMWLGINJRSA-HOCLYGCPSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000578472622 366575130 /nfs/dbraw/zinc/57/51/30/366575130.db2.gz HRRVMWLGINJRSA-ZBFHGGJFSA-N 1 0 242.366 3.714 20 30 BHEDRO C=CCCCCC[NH2+]Cc1ncc(Cl)s1 ZINC000578522234 366589694 /nfs/dbraw/zinc/58/96/94/366589694.db2.gz FPAUFIZUIAYQMF-UHFFFAOYSA-N 1 0 244.791 3.633 20 30 BHEDRO CCC1(CC)CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000578528349 366592420 /nfs/dbraw/zinc/59/24/20/366592420.db2.gz UYQMSOOVDIVPPE-CABCVRRESA-N 1 0 248.414 3.971 20 30 BHEDRO CCC1(CC)CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000578528350 366592206 /nfs/dbraw/zinc/59/22/06/366592206.db2.gz UYQMSOOVDIVPPE-GJZGRUSLSA-N 1 0 248.414 3.971 20 30 BHEDRO CCC1(CC)CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000578528351 366592534 /nfs/dbraw/zinc/59/25/34/366592534.db2.gz UYQMSOOVDIVPPE-HUUCEWRRSA-N 1 0 248.414 3.971 20 30 BHEDRO CCC1(CC)CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000578528352 366591568 /nfs/dbraw/zinc/59/15/68/366591568.db2.gz UYQMSOOVDIVPPE-LSDHHAIUSA-N 1 0 248.414 3.971 20 30 BHEDRO C=CCCCCC[N@@H+](C)CC1(SC)CC1 ZINC000578818877 366650980 /nfs/dbraw/zinc/65/09/80/366650980.db2.gz UTGQZMJBUFQLRT-UHFFFAOYSA-N 1 0 227.417 3.560 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578952891 366678381 /nfs/dbraw/zinc/67/83/81/366678381.db2.gz BBCKXYGFDZEPJG-GFCCVEGCSA-N 1 0 248.326 3.520 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578952894 366679169 /nfs/dbraw/zinc/67/91/69/366679169.db2.gz BBCKXYGFDZEPJG-LBPRGKRZSA-N 1 0 248.326 3.520 20 30 BHEDRO C=CCCCC[NH+]1CCC(OCCCC)CC1 ZINC000578954486 366678303 /nfs/dbraw/zinc/67/83/03/366678303.db2.gz BOERJFCAEQDWHD-UHFFFAOYSA-N 1 0 239.403 3.624 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000579004541 366693044 /nfs/dbraw/zinc/69/30/44/366693044.db2.gz KEDQWJUVBJFJGC-AWEZNQCLSA-N 1 0 247.382 3.576 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000579004542 366693257 /nfs/dbraw/zinc/69/32/57/366693257.db2.gz KEDQWJUVBJFJGC-CQSZACIVSA-N 1 0 247.382 3.576 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000579006680 366694308 /nfs/dbraw/zinc/69/43/08/366694308.db2.gz MSYORAFDYZCJCC-CYBMUJFWSA-N 1 0 244.382 3.667 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000579006691 366694796 /nfs/dbraw/zinc/69/47/96/366694796.db2.gz MSYORAFDYZCJCC-ZDUSSCGKSA-N 1 0 244.382 3.667 20 30 BHEDRO C=C(C)C[N@@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000579034960 366701157 /nfs/dbraw/zinc/70/11/57/366701157.db2.gz ZFAZOHUINRWACU-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(C)n1 ZINC000579074511 366704847 /nfs/dbraw/zinc/70/48/47/366704847.db2.gz XJFVGHHBYJLHRJ-CYBMUJFWSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(C)n1 ZINC000579074512 366704931 /nfs/dbraw/zinc/70/49/31/366704931.db2.gz XJFVGHHBYJLHRJ-ZDUSSCGKSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[N@H+](Cc1cccnc1)C(C)C ZINC000579080772 366706022 /nfs/dbraw/zinc/70/60/22/366706022.db2.gz OBBWQNCVGVXKOI-UHFFFAOYSA-N 1 0 232.371 3.648 20 30 BHEDRO C=CCCCC[N@@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000579315961 366758594 /nfs/dbraw/zinc/75/85/94/366758594.db2.gz GTVJUESPQLZCNY-AWEZNQCLSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCCCC[N@@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000579315962 366758336 /nfs/dbraw/zinc/75/83/36/366758336.db2.gz GTVJUESPQLZCNY-CQSZACIVSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CC[N@@H+](Cc1ccn(C)c1)CC1CCCCC1 ZINC000579335747 366760800 /nfs/dbraw/zinc/76/08/00/366760800.db2.gz MEDIOHUHSSFPBH-UHFFFAOYSA-N 1 0 246.398 3.593 20 30 BHEDRO C=CCCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000579368207 366771568 /nfs/dbraw/zinc/77/15/68/366771568.db2.gz DRWTXRVRLGTCAU-UHFFFAOYSA-N 1 0 235.293 3.617 20 30 BHEDRO CC(C)(C#N)CCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000579530919 366846698 /nfs/dbraw/zinc/84/66/98/366846698.db2.gz JMYKYXUYTAEHMK-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000579619391 366912530 /nfs/dbraw/zinc/91/25/30/366912530.db2.gz KUKDKGYFEBVJDX-SDADXPQNSA-N 1 0 229.367 3.733 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000579619392 366912692 /nfs/dbraw/zinc/91/26/92/366912692.db2.gz KUKDKGYFEBVJDX-VDERGJSUSA-N 1 0 229.367 3.733 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000579619393 366912607 /nfs/dbraw/zinc/91/26/07/366912607.db2.gz KUKDKGYFEBVJDX-VRKREXBASA-N 1 0 229.367 3.733 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000579619394 366912519 /nfs/dbraw/zinc/91/25/19/366912519.db2.gz KUKDKGYFEBVJDX-XRGAULLZSA-N 1 0 229.367 3.733 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1)[C@@H](C)CCC ZINC000579628955 366916673 /nfs/dbraw/zinc/91/66/73/366916673.db2.gz KTHRSUFUYHFSPD-AWEZNQCLSA-N 1 0 217.356 3.863 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1)[C@H](C)CCC ZINC000579628956 366916306 /nfs/dbraw/zinc/91/63/06/366916306.db2.gz KTHRSUFUYHFSPD-CQSZACIVSA-N 1 0 217.356 3.863 20 30 BHEDRO C=CCC1(C[NH2+]Cc2ccncc2C)CCCC1 ZINC000579673420 366957408 /nfs/dbraw/zinc/95/74/08/366957408.db2.gz ZPZBEUZMXLZMJB-UHFFFAOYSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCCCC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000579674476 366958665 /nfs/dbraw/zinc/95/86/65/366958665.db2.gz OUIULJQXRVVCDT-UHFFFAOYSA-N 1 0 242.366 3.527 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000579676216 366963641 /nfs/dbraw/zinc/96/36/41/366963641.db2.gz XVPKYNZYRBQDEW-GFCCVEGCSA-N 1 0 248.326 3.520 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000579676217 366963667 /nfs/dbraw/zinc/96/36/67/366963667.db2.gz XVPKYNZYRBQDEW-LBPRGKRZSA-N 1 0 248.326 3.520 20 30 BHEDRO N#CC1(C[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000579699787 366982508 /nfs/dbraw/zinc/98/25/08/366982508.db2.gz KNVMRMKCSQKGRB-UHFFFAOYSA-N 1 0 246.398 3.773 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]CCCc1cnccc1C ZINC000579776535 367003257 /nfs/dbraw/zinc/00/32/57/367003257.db2.gz SDYHTEGJKWZSHZ-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000579776536 367003215 /nfs/dbraw/zinc/00/32/15/367003215.db2.gz SDYHTEGJKWZSHZ-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000579869605 367059222 /nfs/dbraw/zinc/05/92/22/367059222.db2.gz HYBZDYYKRBMCHQ-HAQNSBGRSA-N 1 0 248.395 3.678 20 30 BHEDRO C=CC[N@H+](C)CCCc1c(F)cccc1Cl ZINC000579915435 367077681 /nfs/dbraw/zinc/07/76/81/367077681.db2.gz UYRBRVKMYHLWCI-UHFFFAOYSA-N 1 0 241.737 3.530 20 30 BHEDRO C=CCOc1ccc(C[NH2+]C(C)(C)C(C)C)cc1 ZINC000579991453 367117653 /nfs/dbraw/zinc/11/76/53/367117653.db2.gz PWJIKKQDEYJQMP-UHFFFAOYSA-N 1 0 247.382 3.776 20 30 BHEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000580012821 367123343 /nfs/dbraw/zinc/12/33/43/367123343.db2.gz OQPAIZKMBRPHBW-BBRMVZONSA-N 1 0 242.366 3.630 20 30 BHEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000580012822 367123982 /nfs/dbraw/zinc/12/39/82/367123982.db2.gz OQPAIZKMBRPHBW-CJNGLKHVSA-N 1 0 242.366 3.630 20 30 BHEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000580012823 367122614 /nfs/dbraw/zinc/12/26/14/367122614.db2.gz OQPAIZKMBRPHBW-CZUORRHYSA-N 1 0 242.366 3.630 20 30 BHEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000580012824 367123875 /nfs/dbraw/zinc/12/38/75/367123875.db2.gz OQPAIZKMBRPHBW-XJKSGUPXSA-N 1 0 242.366 3.630 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000580016701 367126425 /nfs/dbraw/zinc/12/64/25/367126425.db2.gz WSIPPGUMMDLBBI-CYBMUJFWSA-N 1 0 224.392 3.827 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000580016702 367126559 /nfs/dbraw/zinc/12/65/59/367126559.db2.gz WSIPPGUMMDLBBI-ZDUSSCGKSA-N 1 0 224.392 3.827 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)CCc1cccs1 ZINC000580056712 346500355 /nfs/dbraw/zinc/50/03/55/346500355.db2.gz CVURTYXPHGNBGN-CYBMUJFWSA-N 1 0 237.412 3.967 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)CCc1cccs1 ZINC000580056713 346500352 /nfs/dbraw/zinc/50/03/52/346500352.db2.gz CVURTYXPHGNBGN-ZDUSSCGKSA-N 1 0 237.412 3.967 20 30 BHEDRO CC[N@H+](CCCC1CCCCC1)C[C@@H](C)C#N ZINC000580128225 346544190 /nfs/dbraw/zinc/54/41/90/346544190.db2.gz XRHJJOQGYPOMFV-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[N@H+](CCCC1CCCCC1)C[C@H](C)C#N ZINC000580128226 346544358 /nfs/dbraw/zinc/54/43/58/346544358.db2.gz XRHJJOQGYPOMFV-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000580277857 346835183 /nfs/dbraw/zinc/83/51/83/346835183.db2.gz IQZYPQBMEPNZPT-AWEZNQCLSA-N 1 0 247.386 3.520 20 30 BHEDRO C=CCCCC[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000580277858 346835106 /nfs/dbraw/zinc/83/51/06/346835106.db2.gz IQZYPQBMEPNZPT-CQSZACIVSA-N 1 0 247.386 3.520 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1cccc(C#N)c1 ZINC000580478050 359575649 /nfs/dbraw/zinc/57/56/49/359575649.db2.gz MLVXRPWIWCNWDX-UHFFFAOYSA-N 1 0 230.355 3.569 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000580569747 365774806 /nfs/dbraw/zinc/77/48/06/365774806.db2.gz CWHOESXWCBUIFB-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000580569748 365775004 /nfs/dbraw/zinc/77/50/04/365775004.db2.gz CWHOESXWCBUIFB-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000580569749 365774736 /nfs/dbraw/zinc/77/47/36/365774736.db2.gz CWHOESXWCBUIFB-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000580569750 365775009 /nfs/dbraw/zinc/77/50/09/365775009.db2.gz CWHOESXWCBUIFB-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000580583220 365793525 /nfs/dbraw/zinc/79/35/25/365793525.db2.gz UVJPJUBSQHIIDX-UHFFFAOYSA-N 1 0 246.329 3.533 20 30 BHEDRO C=CCCCC[NH2+][C@](C)(CC)c1nccs1 ZINC000580755166 345271991 /nfs/dbraw/zinc/27/19/91/345271991.db2.gz ILMLJGONGNSVMH-CYBMUJFWSA-N 1 0 238.400 3.714 20 30 BHEDRO C=CCCCC[NH2+][C@@](C)(CC)c1nccs1 ZINC000580755169 345272032 /nfs/dbraw/zinc/27/20/32/345272032.db2.gz ILMLJGONGNSVMH-ZDUSSCGKSA-N 1 0 238.400 3.714 20 30 BHEDRO CC#CC[N@H+](C)[C@@H](C)CCSc1ccccc1 ZINC000580846943 367187154 /nfs/dbraw/zinc/18/71/54/367187154.db2.gz HDWMMRADILGELX-AWEZNQCLSA-N 1 0 247.407 3.512 20 30 BHEDRO CC#CC[N@H+](C)[C@H](C)CCSc1ccccc1 ZINC000580846944 367187324 /nfs/dbraw/zinc/18/73/24/367187324.db2.gz HDWMMRADILGELX-CQSZACIVSA-N 1 0 247.407 3.512 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000580873837 367194061 /nfs/dbraw/zinc/19/40/61/367194061.db2.gz OPWRKCSWTFFZOM-AWEZNQCLSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccc(C)nc1 ZINC000580873840 367194039 /nfs/dbraw/zinc/19/40/39/367194039.db2.gz OPWRKCSWTFFZOM-CQSZACIVSA-N 1 0 246.398 3.657 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1cc(C#N)ccc1F ZINC000581154902 367278168 /nfs/dbraw/zinc/27/81/68/367278168.db2.gz QHFROCNYGMAHSV-UHFFFAOYSA-N 1 0 248.345 3.708 20 30 BHEDRO N#CCCC1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000581367543 367399544 /nfs/dbraw/zinc/39/95/44/367399544.db2.gz DJEMAGAPAKECEV-UHFFFAOYSA-N 1 0 246.398 3.582 20 30 BHEDRO C[C@@H](C[N@H+](CCC#N)CC1CC1)C1CCCCC1 ZINC000581614804 367636287 /nfs/dbraw/zinc/63/62/87/367636287.db2.gz JFNYQKUGBDRVTR-AWEZNQCLSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@H](C[N@H+](CCC#N)CC1CC1)C1CCCCC1 ZINC000581614805 367636583 /nfs/dbraw/zinc/63/65/83/367636583.db2.gz JFNYQKUGBDRVTR-CQSZACIVSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC[C@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000581766904 367820126 /nfs/dbraw/zinc/82/01/26/367820126.db2.gz UXOKHZFXZUZDNF-KKUMJFAQSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCC[C@@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000581766905 367820332 /nfs/dbraw/zinc/82/03/32/367820332.db2.gz UXOKHZFXZUZDNF-ZNMIVQPWSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000581833975 367836647 /nfs/dbraw/zinc/83/66/47/367836647.db2.gz BIIMSSFBXRPEAQ-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000581833976 367837094 /nfs/dbraw/zinc/83/70/94/367837094.db2.gz BIIMSSFBXRPEAQ-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000581984271 368045866 /nfs/dbraw/zinc/04/58/66/368045866.db2.gz HXNORZKXOFDYCO-UHFFFAOYSA-N 1 0 244.338 3.616 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000582091661 347206753 /nfs/dbraw/zinc/20/67/53/347206753.db2.gz CXDYARXAPIRIRA-AWEZNQCLSA-N 1 0 244.382 3.877 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000582091662 347206635 /nfs/dbraw/zinc/20/66/35/347206635.db2.gz CXDYARXAPIRIRA-CQSZACIVSA-N 1 0 244.382 3.877 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000582102989 347245072 /nfs/dbraw/zinc/24/50/72/347245072.db2.gz LCQWPHHENLEAAC-IHRRRGAJSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000582102990 347245141 /nfs/dbraw/zinc/24/51/41/347245141.db2.gz LCQWPHHENLEAAC-MELADBBJSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1cc(C#N)cs1 ZINC000582149185 352564414 /nfs/dbraw/zinc/56/44/14/352564414.db2.gz AJAFUPNGDFWSHS-UHFFFAOYSA-N 1 0 236.384 3.630 20 30 BHEDRO CC[C@H]([NH2+]CC1CCCC1)c1ccc(C#N)cc1 ZINC000582161457 355324207 /nfs/dbraw/zinc/32/42/07/355324207.db2.gz OEAOWAMKUAWOIW-INIZCTEOSA-N 1 0 242.366 3.789 20 30 BHEDRO CC[C@@H]([NH2+]CC1CCCC1)c1ccc(C#N)cc1 ZINC000582161458 355324120 /nfs/dbraw/zinc/32/41/20/355324120.db2.gz OEAOWAMKUAWOIW-MRXNPFEDSA-N 1 0 242.366 3.789 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccnc2ccccc12 ZINC000582257136 356692230 /nfs/dbraw/zinc/69/22/30/356692230.db2.gz JFTNKPUFKZNUJL-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO N#CCCC1CC[NH+](CC2=CCCCC2)CC1 ZINC000582299103 357033563 /nfs/dbraw/zinc/03/35/63/357033563.db2.gz TVBYCIFJXXUIEQ-UHFFFAOYSA-N 1 0 232.371 3.503 20 30 BHEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)C(C)(C)C ZINC000582449911 357214899 /nfs/dbraw/zinc/21/48/99/357214899.db2.gz WEWMWRNWQCNVFZ-HNNXBMFYSA-N 1 0 244.382 3.515 20 30 BHEDRO CC[C@@H]([NH2+]CCc1cccc(C#N)c1)C(C)(C)C ZINC000582449912 357214957 /nfs/dbraw/zinc/21/49/57/357214957.db2.gz WEWMWRNWQCNVFZ-OAHLLOKOSA-N 1 0 244.382 3.515 20 30 BHEDRO CC1(C)CC[C@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000582495307 357325609 /nfs/dbraw/zinc/32/56/09/357325609.db2.gz DOJCGPASUPYIJK-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CC[C@@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000582495308 357325598 /nfs/dbraw/zinc/32/55/98/357325598.db2.gz DOJCGPASUPYIJK-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCCCC[NH2+][C@H](CC)c1c(C)noc1C ZINC000582587377 357345689 /nfs/dbraw/zinc/34/56/89/357345689.db2.gz MMZAJBPDZSTGPP-CYBMUJFWSA-N 1 0 236.359 3.688 20 30 BHEDRO C=CCCCC[NH2+][C@@H](CC)c1c(C)noc1C ZINC000582587379 357345660 /nfs/dbraw/zinc/34/56/60/357345660.db2.gz MMZAJBPDZSTGPP-ZDUSSCGKSA-N 1 0 236.359 3.688 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000582647944 357363003 /nfs/dbraw/zinc/36/30/03/357363003.db2.gz PCSNNRVAWZSLJN-CYBMUJFWSA-N 1 0 244.382 3.515 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000582647945 357363056 /nfs/dbraw/zinc/36/30/56/357363056.db2.gz PCSNNRVAWZSLJN-ZDUSSCGKSA-N 1 0 244.382 3.515 20 30 BHEDRO CCC(CC)(CC)C[N@H+](C)CC(C)(C)C#N ZINC000582716854 357369801 /nfs/dbraw/zinc/36/98/01/357369801.db2.gz LXXHJWIMNPTUDZ-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000582797905 357398536 /nfs/dbraw/zinc/39/85/36/357398536.db2.gz LVYBGKVPPBZNGS-HNNXBMFYSA-N 1 0 233.330 3.523 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000582797906 357398608 /nfs/dbraw/zinc/39/86/08/357398608.db2.gz LVYBGKVPPBZNGS-OAHLLOKOSA-N 1 0 233.330 3.523 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000582807230 357401637 /nfs/dbraw/zinc/40/16/37/357401637.db2.gz ZFAKNJBGVDLPHG-HNNXBMFYSA-N 1 0 232.371 3.725 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000582807231 357401723 /nfs/dbraw/zinc/40/17/23/357401723.db2.gz ZFAKNJBGVDLPHG-OAHLLOKOSA-N 1 0 232.371 3.725 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000582807439 357401935 /nfs/dbraw/zinc/40/19/35/357401935.db2.gz FCGXJYQFBQIIIY-AWEZNQCLSA-N 1 0 242.366 3.783 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000582807440 357401511 /nfs/dbraw/zinc/40/15/11/357401511.db2.gz FCGXJYQFBQIIIY-CQSZACIVSA-N 1 0 242.366 3.783 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000582901927 357426175 /nfs/dbraw/zinc/42/61/75/357426175.db2.gz VMLBGYMFXWHFGT-AWEZNQCLSA-N 1 0 242.366 3.907 20 30 BHEDRO C=CCCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000582901928 357426218 /nfs/dbraw/zinc/42/62/18/357426218.db2.gz VMLBGYMFXWHFGT-CQSZACIVSA-N 1 0 242.366 3.907 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582955764 357443724 /nfs/dbraw/zinc/44/37/24/357443724.db2.gz HZGDYFQGBKSYQL-APIJFGDWSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000582955765 357443786 /nfs/dbraw/zinc/44/37/86/357443786.db2.gz HZGDYFQGBKSYQL-BFHYXJOUSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000582955766 357443757 /nfs/dbraw/zinc/44/37/57/357443757.db2.gz HZGDYFQGBKSYQL-IHRRRGAJSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582955767 357443728 /nfs/dbraw/zinc/44/37/28/357443728.db2.gz HZGDYFQGBKSYQL-XQLPTFJDSA-N 1 0 239.403 3.667 20 30 BHEDRO Cc1cc(C[NH2+]C(C)(C)C(C)(C)C)ccc1C#N ZINC000582971682 357448367 /nfs/dbraw/zinc/44/83/67/357448367.db2.gz LTSYULKAVVZXAU-UHFFFAOYSA-N 1 0 244.382 3.781 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000583034404 357465367 /nfs/dbraw/zinc/46/53/67/357465367.db2.gz LQIHVJAKMMXHQU-BFHYXJOUSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000583034407 357465699 /nfs/dbraw/zinc/46/56/99/357465699.db2.gz LQIHVJAKMMXHQU-MJBXVCDLSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(C)cc1C ZINC000583107972 357476104 /nfs/dbraw/zinc/47/61/04/357476104.db2.gz OGBRMAFXDIERFS-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2occc2c1 ZINC000583172171 357501074 /nfs/dbraw/zinc/50/10/74/357501074.db2.gz WOAXHOVXSYLONQ-HNNXBMFYSA-N 1 0 241.334 3.973 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2occc2c1 ZINC000583172172 357501173 /nfs/dbraw/zinc/50/11/73/357501173.db2.gz WOAXHOVXSYLONQ-OAHLLOKOSA-N 1 0 241.334 3.973 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000583244057 357705138 /nfs/dbraw/zinc/70/51/38/357705138.db2.gz USBUTSNYGVFMBD-CYBMUJFWSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCOC(C)(C)C ZINC000583244058 357704714 /nfs/dbraw/zinc/70/47/14/357704714.db2.gz USBUTSNYGVFMBD-ZDUSSCGKSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCCCC[N@@H+](C)Cc1cccs1 ZINC000583303445 357888537 /nfs/dbraw/zinc/88/85/37/357888537.db2.gz DIZFWTCCDFJSPS-UHFFFAOYSA-N 1 0 209.358 3.536 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000583333334 342735794 /nfs/dbraw/zinc/73/57/94/342735794.db2.gz LSYWNWLGOXTDMP-BFHYXJOUSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000583333335 342735716 /nfs/dbraw/zinc/73/57/16/342735716.db2.gz LSYWNWLGOXTDMP-MELADBBJSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000583440613 344965702 /nfs/dbraw/zinc/96/57/02/344965702.db2.gz NDHZIDSCBMCQFE-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000583440614 344965510 /nfs/dbraw/zinc/96/55/10/344965510.db2.gz NDHZIDSCBMCQFE-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000583440615 344965046 /nfs/dbraw/zinc/96/50/46/344965046.db2.gz NDHZIDSCBMCQFE-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000583440616 344965409 /nfs/dbraw/zinc/96/54/09/344965409.db2.gz NDHZIDSCBMCQFE-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CC[NH+](CC=C)C/C=C/c1ccc(F)c(F)c1 ZINC000583467039 349226449 /nfs/dbraw/zinc/22/64/49/349226449.db2.gz JCNNSRBQPCYDQJ-AATRIKPKSA-N 1 0 249.304 3.652 20 30 BHEDRO C=CC[NH+](CC=C)C/C=C\c1ccc(F)c(F)c1 ZINC000583467040 349225798 /nfs/dbraw/zinc/22/57/98/349225798.db2.gz JCNNSRBQPCYDQJ-WAYWQWQTSA-N 1 0 249.304 3.652 20 30 BHEDRO C=CCCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000583467648 349233132 /nfs/dbraw/zinc/23/31/32/349233132.db2.gz LNESJQDNSWHKHR-HNNXBMFYSA-N 1 0 247.407 3.573 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000583467649 349233108 /nfs/dbraw/zinc/23/31/08/349233108.db2.gz LNESJQDNSWHKHR-OAHLLOKOSA-N 1 0 247.407 3.573 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C1(CF)CCC1 ZINC000583565991 355648483 /nfs/dbraw/zinc/64/84/83/355648483.db2.gz YEDUWHNFWZFBND-GFCCVEGCSA-N 1 0 213.340 3.603 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1(CF)CCC1 ZINC000583565992 355648290 /nfs/dbraw/zinc/64/82/90/355648290.db2.gz YEDUWHNFWZFBND-LBPRGKRZSA-N 1 0 213.340 3.603 20 30 BHEDRO CC1(C#N)CC[NH+](CCC2CCCCCC2)CC1 ZINC000583661079 355992934 /nfs/dbraw/zinc/99/29/34/355992934.db2.gz YWRJIPWPPLFEAS-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000583691229 357121736 /nfs/dbraw/zinc/12/17/36/357121736.db2.gz GEIROCOUFPWALJ-AWEZNQCLSA-N 1 0 234.387 3.747 20 30 BHEDRO C=CCCC[C@@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000583691230 357121755 /nfs/dbraw/zinc/12/17/55/357121755.db2.gz GEIROCOUFPWALJ-CQSZACIVSA-N 1 0 234.387 3.747 20 30 BHEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c(C)s1 ZINC000583733790 357930942 /nfs/dbraw/zinc/93/09/42/357930942.db2.gz WBVVZNRFQIVBRG-JSGCOSHPSA-N 1 0 248.395 3.537 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000583884454 358120766 /nfs/dbraw/zinc/12/07/66/358120766.db2.gz PYEVDGDERNLZLI-HNNXBMFYSA-N 1 0 233.330 3.523 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000583884455 358121130 /nfs/dbraw/zinc/12/11/30/358121130.db2.gz PYEVDGDERNLZLI-OAHLLOKOSA-N 1 0 233.330 3.523 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000583913864 342681498 /nfs/dbraw/zinc/68/14/98/342681498.db2.gz DYOXCSSBLCZVFP-LLVKDONJSA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000583913865 342681300 /nfs/dbraw/zinc/68/13/00/342681300.db2.gz DYOXCSSBLCZVFP-NSHDSACASA-N 1 0 248.345 3.612 20 30 BHEDRO Cc1ccc(C)c(C[N@H+](C)CCC(C)(C)C#N)c1 ZINC000583985987 342824318 /nfs/dbraw/zinc/82/43/18/342824318.db2.gz IFJZRUZFXDUYRJ-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000584005033 342900292 /nfs/dbraw/zinc/90/02/92/342900292.db2.gz FZBGWDLLZXJWBG-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000584005034 342900188 /nfs/dbraw/zinc/90/01/88/342900188.db2.gz FZBGWDLLZXJWBG-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccc(F)cc1C#N ZINC000584076885 385028945 /nfs/dbraw/zinc/02/89/45/385028945.db2.gz SFYHUHIVEVSVDU-UHFFFAOYSA-N 1 0 248.345 3.708 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC=C(C)CC1 ZINC000584366814 357446910 /nfs/dbraw/zinc/44/69/10/357446910.db2.gz OAYLPRPPBNFFTC-CYBMUJFWSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CC=C(C)CC1 ZINC000584366815 357446706 /nfs/dbraw/zinc/44/67/06/357446706.db2.gz OAYLPRPPBNFFTC-ZDUSSCGKSA-N 1 0 207.361 3.677 20 30 BHEDRO C[N@H+](CCC1CCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000584517672 358028949 /nfs/dbraw/zinc/02/89/49/358028949.db2.gz FRQWTGBAJKVHIM-CABCVRRESA-N 1 0 234.387 3.581 20 30 BHEDRO C[N@H+](CCC1CCCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000584517673 358028869 /nfs/dbraw/zinc/02/88/69/358028869.db2.gz FRQWTGBAJKVHIM-GJZGRUSLSA-N 1 0 234.387 3.581 20 30 BHEDRO C[N@H+](CCC1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000584517674 358028820 /nfs/dbraw/zinc/02/88/20/358028820.db2.gz FRQWTGBAJKVHIM-HUUCEWRRSA-N 1 0 234.387 3.581 20 30 BHEDRO C[N@H+](CCC1CCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000584517675 358028804 /nfs/dbraw/zinc/02/88/04/358028804.db2.gz FRQWTGBAJKVHIM-LSDHHAIUSA-N 1 0 234.387 3.581 20 30 BHEDRO CCc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000584534530 358043937 /nfs/dbraw/zinc/04/39/37/358043937.db2.gz UEOXBFSWVHFNOD-UHFFFAOYSA-N 1 0 244.382 3.669 20 30 BHEDRO N#CCC1CC[NH+](CCCC2CCCCC2)CC1 ZINC000584681451 358150610 /nfs/dbraw/zinc/15/06/10/358150610.db2.gz DTUSMTGCQQPSBD-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO CC(C)(C)C1CC([NH2+]Cc2cc(C#N)cs2)C1 ZINC000584733667 358164997 /nfs/dbraw/zinc/16/49/97/358164997.db2.gz OLAYDFYAUSOBIM-UHFFFAOYSA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000584809857 358183849 /nfs/dbraw/zinc/18/38/49/358183849.db2.gz LZRBGWIDPOLPCL-INIZCTEOSA-N 1 0 242.366 3.571 20 30 BHEDRO CC(C)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000584809859 358183836 /nfs/dbraw/zinc/18/38/36/358183836.db2.gz LZRBGWIDPOLPCL-MRXNPFEDSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000584865374 358207322 /nfs/dbraw/zinc/20/73/22/358207322.db2.gz ASHVNYJAUHKZCU-DOMZBBRYSA-N 1 0 246.354 3.552 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000584865376 358206941 /nfs/dbraw/zinc/20/69/41/358206941.db2.gz ASHVNYJAUHKZCU-IUODEOHRSA-N 1 0 246.354 3.552 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000584865377 358207025 /nfs/dbraw/zinc/20/70/25/358207025.db2.gz ASHVNYJAUHKZCU-SWLSCSKDSA-N 1 0 246.354 3.552 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000584865378 358207208 /nfs/dbraw/zinc/20/72/08/358207208.db2.gz ASHVNYJAUHKZCU-WFASDCNBSA-N 1 0 246.354 3.552 20 30 BHEDRO CC1=CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000585726073 345981629 /nfs/dbraw/zinc/98/16/29/345981629.db2.gz RMCJRZGLDNUCJE-BBRMVZONSA-N 1 0 240.350 3.708 20 30 BHEDRO CC1=CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000585726079 345981746 /nfs/dbraw/zinc/98/17/46/345981746.db2.gz RMCJRZGLDNUCJE-CJNGLKHVSA-N 1 0 240.350 3.708 20 30 BHEDRO CC1=CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000585726080 345981916 /nfs/dbraw/zinc/98/19/16/345981916.db2.gz RMCJRZGLDNUCJE-CZUORRHYSA-N 1 0 240.350 3.708 20 30 BHEDRO CC1=CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000585726081 345981892 /nfs/dbraw/zinc/98/18/92/345981892.db2.gz RMCJRZGLDNUCJE-XJKSGUPXSA-N 1 0 240.350 3.708 20 30 BHEDRO C[N@H+](CCC(C)(C)C#N)C(C)(C)c1ccccc1 ZINC000585754269 345985303 /nfs/dbraw/zinc/98/53/03/345985303.db2.gz CQBFOVUGCRKWRU-UHFFFAOYSA-N 1 0 244.382 3.793 20 30 BHEDRO C[N@H+](CCCCC#N)C(C)(C)c1ccccc1 ZINC000585754522 345985180 /nfs/dbraw/zinc/98/51/80/345985180.db2.gz QEOWKKSQUFOIOS-UHFFFAOYSA-N 1 0 230.355 3.547 20 30 BHEDRO CC(C)C(C[N@@H+]1CCC[C@@](C)(C#N)C1)C(C)C ZINC000585767310 345989093 /nfs/dbraw/zinc/98/90/93/345989093.db2.gz JYIRJBCDILLHOU-HNNXBMFYSA-N 1 0 236.403 3.540 20 30 BHEDRO CC(C)C(C[N@@H+]1CCC[C@](C)(C#N)C1)C(C)C ZINC000585767311 345989201 /nfs/dbraw/zinc/98/92/01/345989201.db2.gz JYIRJBCDILLHOU-OAHLLOKOSA-N 1 0 236.403 3.540 20 30 BHEDRO C=C(C)C[NH+]1CCC2(CCCCC2)CC1 ZINC000588170295 346644804 /nfs/dbraw/zinc/64/48/04/346644804.db2.gz UTFOFWCXSFAVFX-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000588232157 346650840 /nfs/dbraw/zinc/65/08/40/346650840.db2.gz BWZHTLZSWLBBBA-CABCVRRESA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000588232158 346650829 /nfs/dbraw/zinc/65/08/29/346650829.db2.gz BWZHTLZSWLBBBA-GJZGRUSLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000588232159 346650869 /nfs/dbraw/zinc/65/08/69/346650869.db2.gz BWZHTLZSWLBBBA-HUUCEWRRSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000588232160 346650906 /nfs/dbraw/zinc/65/09/06/346650906.db2.gz BWZHTLZSWLBBBA-LSDHHAIUSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C(C)C ZINC000588783247 344188458 /nfs/dbraw/zinc/18/84/58/344188458.db2.gz XMBSASUVFRQAPO-UHFFFAOYSA-N 1 0 229.776 3.798 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccc(C#N)cc1C ZINC000588977245 345836522 /nfs/dbraw/zinc/83/65/22/345836522.db2.gz CVEMXJUVVMLLKN-UHFFFAOYSA-N 1 0 244.382 3.877 20 30 BHEDRO CCC(CC)[N@H+](CC)Cc1ccc(CC#N)cc1 ZINC000588977291 345836263 /nfs/dbraw/zinc/83/62/63/345836263.db2.gz MNVRMPGUVWEYFJ-UHFFFAOYSA-N 1 0 244.382 3.763 20 30 BHEDRO CC(C)C1CCC(C[NH+]2CCC(C#N)CC2)CC1 ZINC000589159644 346670044 /nfs/dbraw/zinc/67/00/44/346670044.db2.gz GUWDFSSQFVCAFR-UHFFFAOYSA-N 1 0 248.414 3.684 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589343716 346690478 /nfs/dbraw/zinc/69/04/78/346690478.db2.gz SEOPLQYOQIEOPH-BLLLJJGKSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589343717 346690680 /nfs/dbraw/zinc/69/06/80/346690680.db2.gz SEOPLQYOQIEOPH-LRDDRELGSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589343718 346691023 /nfs/dbraw/zinc/69/10/23/346691023.db2.gz SEOPLQYOQIEOPH-MLGOLLRUSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589343719 346691031 /nfs/dbraw/zinc/69/10/31/346691031.db2.gz SEOPLQYOQIEOPH-WBMJQRKESA-N 1 0 242.366 3.570 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000589511569 346710616 /nfs/dbraw/zinc/71/06/16/346710616.db2.gz VOQSFQZVTJXVIQ-BPUTZDHNSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000589511571 346710585 /nfs/dbraw/zinc/71/05/85/346710585.db2.gz VOQSFQZVTJXVIQ-CWRNSKLLSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000589511573 346710544 /nfs/dbraw/zinc/71/05/44/346710544.db2.gz VOQSFQZVTJXVIQ-IMJJTQAJSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000589511574 346710609 /nfs/dbraw/zinc/71/06/09/346710609.db2.gz VOQSFQZVTJXVIQ-NUEKZKHPSA-N 1 0 246.398 3.604 20 30 BHEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(C3CCCC3)CC2)C1 ZINC000590162094 346784901 /nfs/dbraw/zinc/78/49/01/346784901.db2.gz LXPRMQFSZAHITO-BBRMVZONSA-N 1 0 246.398 3.581 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(C3CCCC3)CC2)C1 ZINC000590162095 346784566 /nfs/dbraw/zinc/78/45/66/346784566.db2.gz LXPRMQFSZAHITO-CJNGLKHVSA-N 1 0 246.398 3.581 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(C3CCCC3)CC2)C1 ZINC000590162096 346784816 /nfs/dbraw/zinc/78/48/16/346784816.db2.gz LXPRMQFSZAHITO-CZUORRHYSA-N 1 0 246.398 3.581 20 30 BHEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(C3CCCC3)CC2)C1 ZINC000590162097 346784779 /nfs/dbraw/zinc/78/47/79/346784779.db2.gz LXPRMQFSZAHITO-XJKSGUPXSA-N 1 0 246.398 3.581 20 30 BHEDRO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000590173233 346786918 /nfs/dbraw/zinc/78/69/18/346786918.db2.gz SWFJEMFWRAVSRG-CABCVRRESA-N 1 0 232.371 3.501 20 30 BHEDRO C[C@@]1(C#N)CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000590173235 346787379 /nfs/dbraw/zinc/78/73/79/346787379.db2.gz SWFJEMFWRAVSRG-GJZGRUSLSA-N 1 0 232.371 3.501 20 30 BHEDRO C[C@]1(C#N)CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000590173236 346787350 /nfs/dbraw/zinc/78/73/50/346787350.db2.gz SWFJEMFWRAVSRG-HUUCEWRRSA-N 1 0 232.371 3.501 20 30 BHEDRO C[C@]1(C#N)CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000590173238 346787227 /nfs/dbraw/zinc/78/72/27/346787227.db2.gz SWFJEMFWRAVSRG-LSDHHAIUSA-N 1 0 232.371 3.501 20 30 BHEDRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000590255437 347621871 /nfs/dbraw/zinc/62/18/71/347621871.db2.gz KAFGBUFJVMCBKJ-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000590255442 347621862 /nfs/dbraw/zinc/62/18/62/347621862.db2.gz KAFGBUFJVMCBKJ-OLZOCXBDSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000590255443 347622032 /nfs/dbraw/zinc/62/20/32/347622032.db2.gz KAFGBUFJVMCBKJ-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000590255447 347622180 /nfs/dbraw/zinc/62/21/80/347622180.db2.gz KAFGBUFJVMCBKJ-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000590257232 347622155 /nfs/dbraw/zinc/62/21/55/347622155.db2.gz WARHMXWJZBOWNQ-AJNGGQMLSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000590257234 347621944 /nfs/dbraw/zinc/62/19/44/347621944.db2.gz WARHMXWJZBOWNQ-KBUPBQIOSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000590257236 347621819 /nfs/dbraw/zinc/62/18/19/347621819.db2.gz WARHMXWJZBOWNQ-TUVASFSCSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000590257239 347622171 /nfs/dbraw/zinc/62/21/71/347622171.db2.gz WARHMXWJZBOWNQ-ZQDZILKHSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1C=CCCC1 ZINC000590400322 347087179 /nfs/dbraw/zinc/08/71/79/347087179.db2.gz BHVMSFWJNKEUQF-OAHLLOKOSA-N 1 0 245.341 3.922 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)[C@@H]1C=CCCC1 ZINC000590400343 347087475 /nfs/dbraw/zinc/08/74/75/347087475.db2.gz CPYYPWGDLOLTAE-CYBMUJFWSA-N 1 0 233.380 3.845 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)[C@H]1C=CCCC1 ZINC000590400353 347087569 /nfs/dbraw/zinc/08/75/69/347087569.db2.gz CPYYPWGDLOLTAE-ZDUSSCGKSA-N 1 0 233.380 3.845 20 30 BHEDRO CC(C)C([NH2+]C1CCC(C)(C#N)CC1)C(C)C ZINC000590646679 347484709 /nfs/dbraw/zinc/48/47/09/347484709.db2.gz JKSGPPYICCLGKN-UHFFFAOYSA-N 1 0 236.403 3.729 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000590649930 347485925 /nfs/dbraw/zinc/48/59/25/347485925.db2.gz MPBBMCXXXJTYER-KFWWJZLASA-N 1 0 246.398 3.771 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000590649931 347485411 /nfs/dbraw/zinc/48/54/11/347485411.db2.gz MPBBMCXXXJTYER-RBSFLKMASA-N 1 0 246.398 3.771 20 30 BHEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccsc1 ZINC000590653592 347484644 /nfs/dbraw/zinc/48/46/44/347484644.db2.gz XVEFHOKDDSZAGP-LMWSTFAQSA-N 1 0 248.395 3.871 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccsc1 ZINC000590653593 347484845 /nfs/dbraw/zinc/48/48/45/347484845.db2.gz XVEFHOKDDSZAGP-XGNXJENSSA-N 1 0 248.395 3.871 20 30 BHEDRO C=CCCCC[N@H+](CCC#N)CC(C)(C)C ZINC000590696559 347492570 /nfs/dbraw/zinc/49/25/70/347492570.db2.gz GITSDTCBYGSWTK-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO C[C@@]1(C#N)CCC[N@H+](CCC2=CCCCC2)C1 ZINC000590715466 347500038 /nfs/dbraw/zinc/50/00/38/347500038.db2.gz GJALMMYAJXMXAM-HNNXBMFYSA-N 1 0 232.371 3.503 20 30 BHEDRO C[C@]1(C#N)CCC[N@H+](CCC2=CCCCC2)C1 ZINC000590715467 347500226 /nfs/dbraw/zinc/50/02/26/347500226.db2.gz GJALMMYAJXMXAM-OAHLLOKOSA-N 1 0 232.371 3.503 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000590777876 347534099 /nfs/dbraw/zinc/53/40/99/347534099.db2.gz OCPKHJYSFXRZFF-LLVKDONJSA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000590777877 347533826 /nfs/dbraw/zinc/53/38/26/347533826.db2.gz OCPKHJYSFXRZFF-NSHDSACASA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000590778101 347534244 /nfs/dbraw/zinc/53/42/44/347534244.db2.gz HVDFHOTWLRPFJI-LLVKDONJSA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000590778102 347533943 /nfs/dbraw/zinc/53/39/43/347533943.db2.gz HVDFHOTWLRPFJI-NSHDSACASA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000590778423 347534792 /nfs/dbraw/zinc/53/47/92/347534792.db2.gz BENQLRFERRCETP-LLVKDONJSA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000590778424 347534569 /nfs/dbraw/zinc/53/45/69/347534569.db2.gz BENQLRFERRCETP-NSHDSACASA-N 1 0 248.345 3.612 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@H]1CCc2ccccc21 ZINC000590927133 347590140 /nfs/dbraw/zinc/59/01/40/347590140.db2.gz FRNPTIBMIQTMAY-HNNXBMFYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCc2ccccc21 ZINC000590927134 347590879 /nfs/dbraw/zinc/59/08/79/347590879.db2.gz FRNPTIBMIQTMAY-OAHLLOKOSA-N 1 0 215.340 3.572 20 30 BHEDRO CCCc1ccc(C[NH2+]CC(C)(C)CC#N)cc1 ZINC000590970381 347597332 /nfs/dbraw/zinc/59/73/32/347597332.db2.gz XOYPYHQBODJBRM-UHFFFAOYSA-N 1 0 244.382 3.669 20 30 BHEDRO CC(C)(CC#N)C[NH2+]Cc1ccccc1C1CC1 ZINC000590970619 347597485 /nfs/dbraw/zinc/59/74/85/347597485.db2.gz AFHNLIGDYUURIA-UHFFFAOYSA-N 1 0 242.366 3.593 20 30 BHEDRO N#CC1(CC[N@@H+]2CCC[C@H]2C2CC2)CCCCC1 ZINC000591013115 347606235 /nfs/dbraw/zinc/60/62/35/347606235.db2.gz UOYIVUAWVYVOIC-HNNXBMFYSA-N 1 0 246.398 3.725 20 30 BHEDRO N#CC1(CC[N@@H+]2CCC[C@@H]2C2CC2)CCCCC1 ZINC000591013116 347606242 /nfs/dbraw/zinc/60/62/42/347606242.db2.gz UOYIVUAWVYVOIC-OAHLLOKOSA-N 1 0 246.398 3.725 20 30 BHEDRO C[C@H](CCC#N)[NH+]1CCC(C2CCCC2)CC1 ZINC000591015967 347606965 /nfs/dbraw/zinc/60/69/65/347606965.db2.gz ZJZUGFXOJYTEMX-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H](CCC#N)[NH+]1CCC(C2CCCC2)CC1 ZINC000591015968 347606966 /nfs/dbraw/zinc/60/69/66/347606966.db2.gz ZJZUGFXOJYTEMX-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO N#CC1(CC[NH+]2CCC3(CC3)CC2)CCCCC1 ZINC000591022113 385551709 /nfs/dbraw/zinc/55/17/09/385551709.db2.gz QENAJHSCMJBMEC-UHFFFAOYSA-N 1 0 246.398 3.727 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591063243 347612455 /nfs/dbraw/zinc/61/24/55/347612455.db2.gz MDZZVASMGHNQBR-HNNXBMFYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063248 347612610 /nfs/dbraw/zinc/61/26/10/347612610.db2.gz MDZZVASMGHNQBR-OAHLLOKOSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)[C@@H]1C[C@H]1C ZINC000591239781 347632518 /nfs/dbraw/zinc/63/25/18/347632518.db2.gz WGXJKNKPWAFBQC-BHTHQVBYSA-N 1 0 242.366 3.643 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)[C@H]1C[C@H]1C ZINC000591239787 347632225 /nfs/dbraw/zinc/63/22/25/347632225.db2.gz WGXJKNKPWAFBQC-MPTQWLOMSA-N 1 0 242.366 3.643 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)[C@@H]1C[C@@H]1C ZINC000591239789 347632515 /nfs/dbraw/zinc/63/25/15/347632515.db2.gz WGXJKNKPWAFBQC-OJDYBEQGSA-N 1 0 242.366 3.643 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)[C@H]1C[C@@H]1C ZINC000591239791 347632394 /nfs/dbraw/zinc/63/23/94/347632394.db2.gz WGXJKNKPWAFBQC-VZAMPYOESA-N 1 0 242.366 3.643 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000591532453 347668221 /nfs/dbraw/zinc/66/82/21/347668221.db2.gz NQZOMPXWUFCVFJ-JTQLQIEISA-N 1 0 236.384 3.534 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000591532454 347668386 /nfs/dbraw/zinc/66/83/86/347668386.db2.gz NQZOMPXWUFCVFJ-SNVBAGLBSA-N 1 0 236.384 3.534 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@@H](CC)CCC)c1 ZINC000591710989 347688517 /nfs/dbraw/zinc/68/85/17/347688517.db2.gz YMKABMPOANPGHR-HNNXBMFYSA-N 1 0 247.382 3.920 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@H](CC)CCC)c1 ZINC000591710995 347688164 /nfs/dbraw/zinc/68/81/64/347688164.db2.gz YMKABMPOANPGHR-OAHLLOKOSA-N 1 0 247.382 3.920 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1=CCCC1 ZINC000592125769 347737935 /nfs/dbraw/zinc/73/79/35/347737935.db2.gz IVPKWZXUKVIOHM-CYBMUJFWSA-N 1 0 240.350 3.661 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1=CCCC1 ZINC000592125773 347738994 /nfs/dbraw/zinc/73/89/94/347738994.db2.gz IVPKWZXUKVIOHM-ZDUSSCGKSA-N 1 0 240.350 3.661 20 30 BHEDRO CCC(C)(C)CC[NH+]1CCC(CCC#N)CC1 ZINC000592135517 640702398 /nfs/dbraw/zinc/70/23/98/640702398.db2.gz LVEZXAXNUCHDEG-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO N#CCCC1CC[NH+](CCCC2CCCC2)CC1 ZINC000592135539 640701664 /nfs/dbraw/zinc/70/16/64/640701664.db2.gz YAXCFMYVUJIRKG-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO N#CCCCC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000592137886 397945819 /nfs/dbraw/zinc/94/58/19/397945819.db2.gz QJUWNCCRDURJKD-UHFFFAOYSA-N 1 0 248.757 3.613 20 30 BHEDRO Cc1ccccc1C1([NH2+]CCC(C)(C)C#N)CC1 ZINC000592139400 397946072 /nfs/dbraw/zinc/94/60/72/397946072.db2.gz DDPXTDQCKRNCGI-UHFFFAOYSA-N 1 0 242.366 3.514 20 30 BHEDRO Cc1cccc(C2([NH2+]CCCCC#N)CCC2)c1 ZINC000592145868 385567855 /nfs/dbraw/zinc/56/78/55/385567855.db2.gz GZFOGSCPQGSSIE-UHFFFAOYSA-N 1 0 242.366 3.658 20 30 BHEDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000592154784 347744213 /nfs/dbraw/zinc/74/42/13/347744213.db2.gz WQFJXNGPBBMJAS-CABCVRRESA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000592154786 347745525 /nfs/dbraw/zinc/74/55/25/347745525.db2.gz WQFJXNGPBBMJAS-GJZGRUSLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000592154789 347745584 /nfs/dbraw/zinc/74/55/84/347745584.db2.gz WQFJXNGPBBMJAS-HUUCEWRRSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000592154791 347745404 /nfs/dbraw/zinc/74/54/04/347745404.db2.gz WQFJXNGPBBMJAS-LSDHHAIUSA-N 1 0 248.414 3.828 20 30 BHEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C(C)(C)C ZINC000592180007 347758963 /nfs/dbraw/zinc/75/89/63/347758963.db2.gz FIQJAKINLDYWBB-UHFFFAOYSA-N 1 0 244.382 3.718 20 30 BHEDRO N#CCCC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000592183398 347760224 /nfs/dbraw/zinc/76/02/24/347760224.db2.gz IHMYGTNELVVGSE-UHFFFAOYSA-N 1 0 248.757 3.613 20 30 BHEDRO Cc1ccc(C2([NH2+]CCCCC#N)CCC2)cc1 ZINC000592188399 347760700 /nfs/dbraw/zinc/76/07/00/347760700.db2.gz OPYNLXMKODDKTP-UHFFFAOYSA-N 1 0 242.366 3.658 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000592197989 347750867 /nfs/dbraw/zinc/75/08/67/347750867.db2.gz GIAFHAPVWQJBNY-AWEZNQCLSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000592197998 347750732 /nfs/dbraw/zinc/75/07/32/347750732.db2.gz GIAFHAPVWQJBNY-CQSZACIVSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000592198767 347751181 /nfs/dbraw/zinc/75/11/81/347751181.db2.gz SGOHMHXIFQWRIX-HNNXBMFYSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000592198768 347750727 /nfs/dbraw/zinc/75/07/27/347750727.db2.gz SGOHMHXIFQWRIX-OAHLLOKOSA-N 1 0 248.414 3.971 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000592322387 347767909 /nfs/dbraw/zinc/76/79/09/347767909.db2.gz CSFDHRYFXNTWFY-INIZCTEOSA-N 1 0 229.367 3.517 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000592322399 347767967 /nfs/dbraw/zinc/76/79/67/347767967.db2.gz CSFDHRYFXNTWFY-MRXNPFEDSA-N 1 0 229.367 3.517 20 30 BHEDRO C=C(C)C[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000592332099 347767888 /nfs/dbraw/zinc/76/78/88/347767888.db2.gz RAVZIYDBEYAORU-HNNXBMFYSA-N 1 0 245.366 3.798 20 30 BHEDRO C=C(C)C[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000592332100 347767814 /nfs/dbraw/zinc/76/78/14/347767814.db2.gz RAVZIYDBEYAORU-OAHLLOKOSA-N 1 0 245.366 3.798 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](C2CCC2)C2CCCC2)C1 ZINC000592392936 347776294 /nfs/dbraw/zinc/77/62/94/347776294.db2.gz ABWIYOSMNHPBPJ-DAXOMENPSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](C2CCC2)C2CCCC2)C1 ZINC000592392938 347776215 /nfs/dbraw/zinc/77/62/15/347776215.db2.gz ABWIYOSMNHPBPJ-KCXAZCMYSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](C2CCC2)C2CCCC2)C1 ZINC000592392939 347776097 /nfs/dbraw/zinc/77/60/97/347776097.db2.gz ABWIYOSMNHPBPJ-UHOFOFEASA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](C2CCC2)C2CCCC2)C1 ZINC000592392941 347776306 /nfs/dbraw/zinc/77/63/06/347776306.db2.gz ABWIYOSMNHPBPJ-WQVCFCJDSA-N 1 0 246.398 3.627 20 30 BHEDRO C=CCOc1cccc(C[NH2+]CC(CC)CC)c1 ZINC000592462113 347784533 /nfs/dbraw/zinc/78/45/33/347784533.db2.gz UNWBVPFJVLFIBR-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO Cc1sccc1C[NH+]1CCC(CCC#N)CC1 ZINC000592517312 347793362 /nfs/dbraw/zinc/79/33/62/347793362.db2.gz AXMLFKWUYYKRQV-UHFFFAOYSA-N 1 0 248.395 3.572 20 30 BHEDRO C[N@H+](CCC(C)(C)C)CC(C)(C)CCC#N ZINC000592523634 347794911 /nfs/dbraw/zinc/79/49/11/347794911.db2.gz PHIBAFXGJUWXFZ-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCC12CCCC2 ZINC000593039285 347843313 /nfs/dbraw/zinc/84/33/13/347843313.db2.gz PPBLNYOBSXFYMK-UHFFFAOYSA-N 1 0 234.387 3.725 20 30 BHEDRO N#CC1(CC[N@@H+]2CCC23CCCC3)CCCCC1 ZINC000593039353 347843290 /nfs/dbraw/zinc/84/32/90/347843290.db2.gz RJPDFCGNIKATGB-UHFFFAOYSA-N 1 0 246.398 3.869 20 30 BHEDRO Cc1ccccc1C1([NH2+]CCCCC#N)CCC1 ZINC000593039366 347843230 /nfs/dbraw/zinc/84/32/30/347843230.db2.gz KIMGBGYGLPYQLE-UHFFFAOYSA-N 1 0 242.366 3.658 20 30 BHEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)c1ccccc1F ZINC000593060584 347849067 /nfs/dbraw/zinc/84/90/67/347849067.db2.gz COYPWJRGXQHAFC-AWEZNQCLSA-N 1 0 248.345 3.806 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000593061129 347848797 /nfs/dbraw/zinc/84/87/97/347848797.db2.gz NPJFTHCZKCNCLA-HUBLWGQQSA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000593061130 347848566 /nfs/dbraw/zinc/84/85/66/347848566.db2.gz NPJFTHCZKCNCLA-JMSVASOKSA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000593061131 347849223 /nfs/dbraw/zinc/84/92/23/347849223.db2.gz NPJFTHCZKCNCLA-XUJVJEKNSA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)c1ccccc1F ZINC000593061574 347849161 /nfs/dbraw/zinc/84/91/61/347849161.db2.gz SQXRCBLZLNUSCE-FZMZJTMJSA-N 1 0 234.318 3.559 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)CCC#N)c1ccccc1F ZINC000593061575 347849184 /nfs/dbraw/zinc/84/91/84/347849184.db2.gz SQXRCBLZLNUSCE-RISCZKNCSA-N 1 0 234.318 3.559 20 30 BHEDRO CC(C)(C#N)CCCC[NH2+]C1(C2CCC2)CC1 ZINC000593079598 347850921 /nfs/dbraw/zinc/85/09/21/347850921.db2.gz FROCIICTPGGLIQ-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000593080237 347850786 /nfs/dbraw/zinc/85/07/86/347850786.db2.gz KLSZIHMQBJPLSW-GFCCVEGCSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000593080240 347851048 /nfs/dbraw/zinc/85/10/48/347851048.db2.gz KLSZIHMQBJPLSW-LBPRGKRZSA-N 1 0 240.350 3.542 20 30 BHEDRO N#CC1(CC[NH2+]C2(C3CCC3)CC2)CCCCC1 ZINC000593082431 347851487 /nfs/dbraw/zinc/85/14/87/347851487.db2.gz RWLFWFZSXWIFQN-UHFFFAOYSA-N 1 0 246.398 3.773 20 30 BHEDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cccc(C#N)c1 ZINC000593083256 347851428 /nfs/dbraw/zinc/85/14/28/347851428.db2.gz WHVXEQVBMPRBAH-GFCCVEGCSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1cccc(C#N)c1 ZINC000593083703 347851592 /nfs/dbraw/zinc/85/15/92/347851592.db2.gz WHVXEQVBMPRBAH-LBPRGKRZSA-N 1 0 240.350 3.542 20 30 BHEDRO CCC(C)(C)CCN1Cc2cccc(C#N)c2C1 ZINC000593119609 347862660 /nfs/dbraw/zinc/86/26/60/347862660.db2.gz CHSDNORHMUUUJL-UHFFFAOYSA-N 1 0 242.366 3.700 20 30 BHEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000593588445 347914272 /nfs/dbraw/zinc/91/42/72/347914272.db2.gz KWGAXYJONRJMPY-CVEARBPZSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000593588446 347914164 /nfs/dbraw/zinc/91/41/64/347914164.db2.gz KWGAXYJONRJMPY-HOTGVXAUSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000593588447 347914439 /nfs/dbraw/zinc/91/44/39/347914439.db2.gz KWGAXYJONRJMPY-HZPDHXFCSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000593588448 347914538 /nfs/dbraw/zinc/91/45/38/347914538.db2.gz KWGAXYJONRJMPY-JKSUJKDBSA-N 1 0 242.366 3.617 20 30 BHEDRO CCC1(CC)CCC([NH2+]CCCC#N)CC1 ZINC000593614271 347920680 /nfs/dbraw/zinc/92/06/80/347920680.db2.gz AORQSSQJERUTGV-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCCCSC)C1 ZINC000593617490 347916179 /nfs/dbraw/zinc/91/61/79/347916179.db2.gz XFRPNVKDTBJJOR-KBPBESRZSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCCCSC)C1 ZINC000593617492 347915963 /nfs/dbraw/zinc/91/59/63/347915963.db2.gz XFRPNVKDTBJJOR-KGLIPLIRSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCCCSC)C1 ZINC000593617493 347916120 /nfs/dbraw/zinc/91/61/20/347916120.db2.gz XFRPNVKDTBJJOR-UONOGXRCSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCCSC)C1 ZINC000593617494 347916252 /nfs/dbraw/zinc/91/62/52/347916252.db2.gz XFRPNVKDTBJJOR-ZIAGYGMSSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000593620534 347916696 /nfs/dbraw/zinc/91/66/96/347916696.db2.gz JNVLVQPEGBZBFH-CHWSQXEVSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000593620541 347916668 /nfs/dbraw/zinc/91/66/68/347916668.db2.gz JNVLVQPEGBZBFH-OLZOCXBDSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000593620542 347916673 /nfs/dbraw/zinc/91/66/73/347916673.db2.gz JNVLVQPEGBZBFH-QWHCGFSZSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000593620543 347916797 /nfs/dbraw/zinc/91/67/97/347916797.db2.gz JNVLVQPEGBZBFH-STQMWFEESA-N 1 0 239.428 3.607 20 30 BHEDRO CCC1(CC)CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000593622728 347917201 /nfs/dbraw/zinc/91/72/01/347917201.db2.gz TZCRKMAFXDKZPR-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000593626056 347917250 /nfs/dbraw/zinc/91/72/50/347917250.db2.gz KYYMWVGSQDQUPE-CKUJCDMFSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000593626057 347917401 /nfs/dbraw/zinc/91/74/01/347917401.db2.gz KYYMWVGSQDQUPE-FJBKBRRZSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@]1(C)CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000593626058 347917302 /nfs/dbraw/zinc/91/73/02/347917302.db2.gz KYYMWVGSQDQUPE-QDIHITRGSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000593626059 347917558 /nfs/dbraw/zinc/91/75/58/347917558.db2.gz KYYMWVGSQDQUPE-SSHXOBKSSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]1CCCCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000593626256 347917595 /nfs/dbraw/zinc/91/75/95/347917595.db2.gz RJFGNNSIUYTOOC-LBDPXKHJSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000593626257 347917572 /nfs/dbraw/zinc/91/75/72/347917572.db2.gz RJFGNNSIUYTOOC-LMPOIIKSSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCCCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000593626258 347917341 /nfs/dbraw/zinc/91/73/41/347917341.db2.gz RJFGNNSIUYTOOC-PRLABOORSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]1CCCCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000593626259 347917268 /nfs/dbraw/zinc/91/72/68/347917268.db2.gz RJFGNNSIUYTOOC-SLTXQBBLSA-N 1 0 248.414 3.875 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000593626304 347917792 /nfs/dbraw/zinc/91/77/92/347917792.db2.gz VSONGKIAPGWEAC-LBDPXKHJSA-N 1 0 246.398 3.651 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000593626305 347917973 /nfs/dbraw/zinc/91/79/73/347917973.db2.gz VSONGKIAPGWEAC-LMPOIIKSSA-N 1 0 246.398 3.651 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000593626306 347917983 /nfs/dbraw/zinc/91/79/83/347917983.db2.gz VSONGKIAPGWEAC-PRLABOORSA-N 1 0 246.398 3.651 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000593626307 347917872 /nfs/dbraw/zinc/91/78/72/347917872.db2.gz VSONGKIAPGWEAC-SLTXQBBLSA-N 1 0 246.398 3.651 20 30 BHEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000593629200 347917828 /nfs/dbraw/zinc/91/78/28/347917828.db2.gz BQXCCQXXYKBGNQ-DZGCQCFKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000593629201 347918008 /nfs/dbraw/zinc/91/80/08/347918008.db2.gz BQXCCQXXYKBGNQ-HIFRSBDPSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@]1(C)CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000593629202 347917931 /nfs/dbraw/zinc/91/79/31/347917931.db2.gz BQXCCQXXYKBGNQ-UKRRQHHQSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000593629203 347918002 /nfs/dbraw/zinc/91/80/02/347918002.db2.gz BQXCCQXXYKBGNQ-ZFWWWQNUSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000593629630 347918012 /nfs/dbraw/zinc/91/80/12/347918012.db2.gz XQWASYJVHBIHNZ-KBPBESRZSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000593629631 347917980 /nfs/dbraw/zinc/91/79/80/347917980.db2.gz XQWASYJVHBIHNZ-KGLIPLIRSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000593629632 347918026 /nfs/dbraw/zinc/91/80/26/347918026.db2.gz XQWASYJVHBIHNZ-UONOGXRCSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000593629633 347917969 /nfs/dbraw/zinc/91/79/69/347917969.db2.gz XQWASYJVHBIHNZ-ZIAGYGMSSA-N 1 0 234.387 3.651 20 30 BHEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000593631587 347918014 /nfs/dbraw/zinc/91/80/14/347918014.db2.gz LRPLCQYKXVMZRW-AJNGGQMLSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000593631588 347917967 /nfs/dbraw/zinc/91/79/67/347917967.db2.gz LRPLCQYKXVMZRW-BYNSBNAKSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@]1(C)CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000593631589 347917996 /nfs/dbraw/zinc/91/79/96/347917996.db2.gz LRPLCQYKXVMZRW-XQLPTFJDSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000593631590 347917807 /nfs/dbraw/zinc/91/78/07/347917807.db2.gz LRPLCQYKXVMZRW-ZQDZILKHSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000593632977 347917864 /nfs/dbraw/zinc/91/78/64/347917864.db2.gz ZGCITWQZQXEXSW-AJNGGQMLSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000593632978 347917834 /nfs/dbraw/zinc/91/78/34/347917834.db2.gz ZGCITWQZQXEXSW-CBBWQLFWSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000593632979 347918023 /nfs/dbraw/zinc/91/80/23/347918023.db2.gz ZGCITWQZQXEXSW-QPSCCSFWSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000593632980 347917853 /nfs/dbraw/zinc/91/78/53/347917853.db2.gz ZGCITWQZQXEXSW-ZQDZILKHSA-N 1 0 234.387 3.627 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCCC1 ZINC000593652733 347921394 /nfs/dbraw/zinc/92/13/94/347921394.db2.gz IYPSUDYMJQQBBP-CABCVRRESA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCCC1 ZINC000593652734 347921595 /nfs/dbraw/zinc/92/15/95/347921595.db2.gz IYPSUDYMJQQBBP-GJZGRUSLSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCCC1 ZINC000593652735 347921578 /nfs/dbraw/zinc/92/15/78/347921578.db2.gz IYPSUDYMJQQBBP-HUUCEWRRSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCCC1 ZINC000593652736 347921631 /nfs/dbraw/zinc/92/16/31/347921631.db2.gz IYPSUDYMJQQBBP-LSDHHAIUSA-N 1 0 246.398 3.629 20 30 BHEDRO CCCC(CCC)[NH2+]CC1(C#N)CCCC1 ZINC000593652809 347921645 /nfs/dbraw/zinc/92/16/45/347921645.db2.gz OTZZTTIWLFVEED-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO Cc1cc(C[NH2+]CC2(C#N)CCCC2)c(C)s1 ZINC000593653031 347921637 /nfs/dbraw/zinc/92/16/37/347921637.db2.gz XYFQWNQVGIWLAV-UHFFFAOYSA-N 1 0 248.395 3.539 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC1(C#N)CCCC1 ZINC000593653118 347921407 /nfs/dbraw/zinc/92/14/07/347921407.db2.gz CFKNCKHELNKIOL-AWEZNQCLSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC1(C#N)CCCC1 ZINC000593653119 347921532 /nfs/dbraw/zinc/92/15/32/347921532.db2.gz CFKNCKHELNKIOL-CQSZACIVSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1SC ZINC000593653233 347921347 /nfs/dbraw/zinc/92/13/47/347921347.db2.gz AGRAWLKMISLECU-JHJVBQTASA-N 1 0 227.417 3.605 20 30 BHEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593653303 347921618 /nfs/dbraw/zinc/92/16/18/347921618.db2.gz BZYBXWLNLSRRCG-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593653304 347921380 /nfs/dbraw/zinc/92/13/80/347921380.db2.gz BZYBXWLNLSRRCG-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593653305 347921686 /nfs/dbraw/zinc/92/16/86/347921686.db2.gz BZYBXWLNLSRRCG-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@]1(C)CCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593653306 347921336 /nfs/dbraw/zinc/92/13/36/347921336.db2.gz BZYBXWLNLSRRCG-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H](CC1CCCC1)[NH2+]CC1(C#N)CCCC1 ZINC000593653374 347921357 /nfs/dbraw/zinc/92/13/57/347921357.db2.gz IPQINFKUUKEGFW-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H](CC1CCCC1)[NH2+]CC1(C#N)CCCC1 ZINC000593653375 347921353 /nfs/dbraw/zinc/92/13/53/347921353.db2.gz IPQINFKUUKEGFW-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CCCC1 ZINC000593653377 347921435 /nfs/dbraw/zinc/92/14/35/347921435.db2.gz IRDIRLOGPNBNRY-CABCVRRESA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CCCC1 ZINC000593653378 347921351 /nfs/dbraw/zinc/92/13/51/347921351.db2.gz IRDIRLOGPNBNRY-GJZGRUSLSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CCCC1 ZINC000593653379 347921356 /nfs/dbraw/zinc/92/13/56/347921356.db2.gz IRDIRLOGPNBNRY-HUUCEWRRSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CCCC1 ZINC000593653380 347921463 /nfs/dbraw/zinc/92/14/63/347921463.db2.gz IRDIRLOGPNBNRY-LSDHHAIUSA-N 1 0 246.398 3.629 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653394 347921453 /nfs/dbraw/zinc/92/14/53/347921453.db2.gz JIXAPIZOISLREH-AWEZNQCLSA-N 1 0 234.387 3.795 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653395 347921365 /nfs/dbraw/zinc/92/13/65/347921365.db2.gz JIXAPIZOISLREH-CQSZACIVSA-N 1 0 234.387 3.795 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]CC1(C#N)CCCC1 ZINC000593653618 347921983 /nfs/dbraw/zinc/92/19/83/347921983.db2.gz SLIBHODXOGURJN-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCC[C@H](CC)[NH2+]CC1(C#N)CCCC1 ZINC000593653619 347921975 /nfs/dbraw/zinc/92/19/75/347921975.db2.gz SLIBHODXOGURJN-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593654477 347922383 /nfs/dbraw/zinc/92/23/83/347922383.db2.gz CSWKNOGVUMIHPA-AWEZNQCLSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593654478 347922085 /nfs/dbraw/zinc/92/20/85/347922085.db2.gz CSWKNOGVUMIHPA-CQSZACIVSA-N 1 0 234.387 3.795 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CC2(C#N)CCCC2)C1 ZINC000593654520 347922307 /nfs/dbraw/zinc/92/23/07/347922307.db2.gz FMBBFLFOHIYVDL-DZGCQCFKSA-N 1 0 246.398 3.652 20 30 BHEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2(C#N)CCCC2)C1 ZINC000593654521 347921950 /nfs/dbraw/zinc/92/19/50/347921950.db2.gz FMBBFLFOHIYVDL-HIFRSBDPSA-N 1 0 246.398 3.652 20 30 BHEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2(C#N)CCCC2)C1 ZINC000593654522 347922427 /nfs/dbraw/zinc/92/24/27/347922427.db2.gz FMBBFLFOHIYVDL-UKRRQHHQSA-N 1 0 246.398 3.652 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[NH2+]CC2(C#N)CCCC2)C1 ZINC000593654523 347922077 /nfs/dbraw/zinc/92/20/77/347922077.db2.gz FMBBFLFOHIYVDL-ZFWWWQNUSA-N 1 0 246.398 3.652 20 30 BHEDRO N#CC1(C[NH2+]C2CC3(C2)CCCCC3)CCCC1 ZINC000593654584 347922294 /nfs/dbraw/zinc/92/22/94/347922294.db2.gz JEVJCGQVKQRWCD-UHFFFAOYSA-N 1 0 246.398 3.773 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CCCC23CCCC3)CCCC1 ZINC000593654798 347922790 /nfs/dbraw/zinc/92/27/90/347922790.db2.gz PEVQYEVEGFBLGU-AWEZNQCLSA-N 1 0 246.398 3.773 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CCCC23CCCC3)CCCC1 ZINC000593654799 347922779 /nfs/dbraw/zinc/92/27/79/347922779.db2.gz PEVQYEVEGFBLGU-CQSZACIVSA-N 1 0 246.398 3.773 20 30 BHEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1(C#N)CCCC1 ZINC000593655137 347922804 /nfs/dbraw/zinc/92/28/04/347922804.db2.gz YSXFQJBUPXJHPJ-CABCVRRESA-N 1 0 246.398 3.652 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1(C#N)CCCC1 ZINC000593655138 347922640 /nfs/dbraw/zinc/92/26/40/347922640.db2.gz YSXFQJBUPXJHPJ-GJZGRUSLSA-N 1 0 246.398 3.652 20 30 BHEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1(C#N)CCCC1 ZINC000593655139 347922657 /nfs/dbraw/zinc/92/26/57/347922657.db2.gz YSXFQJBUPXJHPJ-HUUCEWRRSA-N 1 0 246.398 3.652 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1(C#N)CCCC1 ZINC000593655140 347922651 /nfs/dbraw/zinc/92/26/51/347922651.db2.gz YSXFQJBUPXJHPJ-LSDHHAIUSA-N 1 0 246.398 3.652 20 30 BHEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000593660636 347924045 /nfs/dbraw/zinc/92/40/45/347924045.db2.gz LIPIDMLKDPYDRY-WCQYABFASA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000593660666 347923930 /nfs/dbraw/zinc/92/39/30/347923930.db2.gz NKNMYXCBXKBKRC-GXFFZTMASA-N 1 0 248.395 3.534 20 30 BHEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000593660843 347923855 /nfs/dbraw/zinc/92/38/55/347923855.db2.gz OMQLZAFLWVXQEB-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000593661347 347923873 /nfs/dbraw/zinc/92/38/73/347923873.db2.gz ZVKZBBONFXULHM-PGOFDVKTSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C(C)(C)C ZINC000593695533 347929776 /nfs/dbraw/zinc/92/97/76/347929776.db2.gz BGTLRPXMLBAWEO-GFCCVEGCSA-N 1 0 242.366 3.556 20 30 BHEDRO C[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C(C)(C)C ZINC000593695538 347929709 /nfs/dbraw/zinc/92/97/09/347929709.db2.gz BGTLRPXMLBAWEO-LBPRGKRZSA-N 1 0 242.366 3.556 20 30 BHEDRO CC(C)C[C@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000593708362 347930977 /nfs/dbraw/zinc/93/09/77/347930977.db2.gz UAQPCFHPXVQHMG-HNNXBMFYSA-N 1 0 248.345 3.806 20 30 BHEDRO CC(C)C[C@@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000593708369 347931127 /nfs/dbraw/zinc/93/11/27/347931127.db2.gz UAQPCFHPXVQHMG-OAHLLOKOSA-N 1 0 248.345 3.806 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(C#N)cc1F ZINC000593723088 347937010 /nfs/dbraw/zinc/93/70/10/347937010.db2.gz YKWPNPRFLCFCBC-GHMZBOCLSA-N 1 0 248.345 3.783 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C(C)(C)C ZINC000593723089 347936902 /nfs/dbraw/zinc/93/69/02/347936902.db2.gz YKWPNPRFLCFCBC-WDEREUQCSA-N 1 0 248.345 3.783 20 30 BHEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)c1ccccc1F ZINC000594017311 347990545 /nfs/dbraw/zinc/99/05/45/347990545.db2.gz COYPWJRGXQHAFC-CQSZACIVSA-N 1 0 248.345 3.806 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000594017780 347990574 /nfs/dbraw/zinc/99/05/74/347990574.db2.gz NPJFTHCZKCNCLA-LALPHHSUSA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000594017781 347990611 /nfs/dbraw/zinc/99/06/11/347990611.db2.gz NPJFTHCZKCNCLA-SLEUVZQESA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000594017782 347990577 /nfs/dbraw/zinc/99/05/77/347990577.db2.gz NPJFTHCZKCNCLA-TYNCELHUSA-N 1 0 246.329 3.559 20 30 BHEDRO CC[C@@H]([NH2+][C@H](C)CCC#N)c1ccccc1F ZINC000594019753 411144523 /nfs/dbraw/zinc/14/45/23/411144523.db2.gz SQXRCBLZLNUSCE-BXUZGUMPSA-N 1 0 234.318 3.559 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1ccccc1F ZINC000594019757 411144498 /nfs/dbraw/zinc/14/44/98/411144498.db2.gz SQXRCBLZLNUSCE-SMDDNHRTSA-N 1 0 234.318 3.559 20 30 BHEDRO CC(C)C[C@@H](C)C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028733 347992198 /nfs/dbraw/zinc/99/21/98/347992198.db2.gz XTXGTKLEOTUEOH-CYBMUJFWSA-N 1 0 242.366 3.556 20 30 BHEDRO CC(C)C[C@H](C)C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028734 347992295 /nfs/dbraw/zinc/99/22/95/347992295.db2.gz XTXGTKLEOTUEOH-ZDUSSCGKSA-N 1 0 242.366 3.556 20 30 BHEDRO CC[C@@H](C)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032484 388346924 /nfs/dbraw/zinc/34/69/24/388346924.db2.gz URUOGONMLISPPO-CYBMUJFWSA-N 1 0 242.366 3.573 20 30 BHEDRO CC[C@H](C)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032485 388347197 /nfs/dbraw/zinc/34/71/97/388347197.db2.gz URUOGONMLISPPO-ZDUSSCGKSA-N 1 0 242.366 3.573 20 30 BHEDRO CCCCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032615 388346958 /nfs/dbraw/zinc/34/69/58/388346958.db2.gz YKCDCGYDOFYLKW-UHFFFAOYSA-N 1 0 242.366 3.717 20 30 BHEDRO CC(C)CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033018 347993512 /nfs/dbraw/zinc/99/35/12/347993512.db2.gz VUCKTBVLSOORHW-UHFFFAOYSA-N 1 0 242.366 3.573 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000594053865 348009154 /nfs/dbraw/zinc/00/91/54/348009154.db2.gz RJWROHMEUMMZSP-HNNXBMFYSA-N 1 0 234.387 3.725 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594053868 348009091 /nfs/dbraw/zinc/00/90/91/348009091.db2.gz RJWROHMEUMMZSP-OAHLLOKOSA-N 1 0 234.387 3.725 20 30 BHEDRO CCCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493006 348062623 /nfs/dbraw/zinc/06/26/23/348062623.db2.gz CADOAAMINAAZIB-UHFFFAOYSA-N 1 0 244.382 3.768 20 30 BHEDRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCCC#N)CC2 ZINC000594493943 348062691 /nfs/dbraw/zinc/06/26/91/348062691.db2.gz BPRFOTDVJLPJCU-HNNXBMFYSA-N 1 0 242.366 3.574 20 30 BHEDRO Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCCC#N)CC2 ZINC000594493944 348062439 /nfs/dbraw/zinc/06/24/39/348062439.db2.gz BPRFOTDVJLPJCU-OAHLLOKOSA-N 1 0 242.366 3.574 20 30 BHEDRO CC(C)CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494172 348062486 /nfs/dbraw/zinc/06/24/86/348062486.db2.gz VSWQOFOJWKXFSK-UHFFFAOYSA-N 1 0 244.382 3.623 20 30 BHEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000594494224 348062571 /nfs/dbraw/zinc/06/25/71/348062571.db2.gz WUVSMRICSKLMBA-UHFFFAOYSA-N 1 0 242.366 3.520 20 30 BHEDRO CCC(CC)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494365 348062461 /nfs/dbraw/zinc/06/24/61/348062461.db2.gz YREWQMSELUGVSB-UHFFFAOYSA-N 1 0 244.382 3.766 20 30 BHEDRO CCC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494613 348062551 /nfs/dbraw/zinc/06/25/51/348062551.db2.gz ZOZGUAFQCXSCBQ-CYBMUJFWSA-N 1 0 244.382 3.766 20 30 BHEDRO CCC[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494614 348062600 /nfs/dbraw/zinc/06/26/00/348062600.db2.gz ZOZGUAFQCXSCBQ-ZDUSSCGKSA-N 1 0 244.382 3.766 20 30 BHEDRO CC(C)(C)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594495575 348063207 /nfs/dbraw/zinc/06/32/07/348063207.db2.gz BZCDJUKDHMLXKL-UHFFFAOYSA-N 1 0 244.382 3.623 20 30 BHEDRO CC(C)=CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594505000 348064731 /nfs/dbraw/zinc/06/47/31/348064731.db2.gz XJLHUBSKTSHYII-UHFFFAOYSA-N 1 0 242.366 3.544 20 30 BHEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000594505241 348064895 /nfs/dbraw/zinc/06/48/95/348064895.db2.gz RGDMARKBMQDCMH-UHFFFAOYSA-N 1 0 242.366 3.520 20 30 BHEDRO CCC1([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594506949 348064934 /nfs/dbraw/zinc/06/49/34/348064934.db2.gz HURVGWHPWWGBJV-UHFFFAOYSA-N 1 0 242.366 3.520 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594506970 348064928 /nfs/dbraw/zinc/06/49/28/348064928.db2.gz ILAGEXBKEHCPCB-UHFFFAOYSA-N 1 0 242.366 3.544 20 30 BHEDRO CC/C=C/C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594506982 348064764 /nfs/dbraw/zinc/06/47/64/348064764.db2.gz JEBBUWQACJQBCT-AATRIKPKSA-N 1 0 242.366 3.544 20 30 BHEDRO CC/C=C\C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594506983 348064974 /nfs/dbraw/zinc/06/49/74/348064974.db2.gz JEBBUWQACJQBCT-WAYWQWQTSA-N 1 0 242.366 3.544 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594507415 348064622 /nfs/dbraw/zinc/06/46/22/348064622.db2.gz MFDWGLYJSFOBJU-UHFFFAOYSA-N 1 0 242.366 3.544 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594512272 348061178 /nfs/dbraw/zinc/06/11/78/348061178.db2.gz IRPRJZPMNQSWOP-CYBMUJFWSA-N 1 0 242.366 3.542 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594512273 348061225 /nfs/dbraw/zinc/06/12/25/348061225.db2.gz IRPRJZPMNQSWOP-ZDUSSCGKSA-N 1 0 242.366 3.542 20 30 BHEDRO CCC[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594512982 348061945 /nfs/dbraw/zinc/06/19/45/348061945.db2.gz GCADBBMHARQDGT-CYBMUJFWSA-N 1 0 242.366 3.716 20 30 BHEDRO CCC[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594512985 348061805 /nfs/dbraw/zinc/06/18/05/348061805.db2.gz GCADBBMHARQDGT-ZDUSSCGKSA-N 1 0 242.366 3.716 20 30 BHEDRO CC(C)[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594514711 348061721 /nfs/dbraw/zinc/06/17/21/348061721.db2.gz KZYLZPMKPWUFCN-CYBMUJFWSA-N 1 0 242.366 3.572 20 30 BHEDRO CC(C)[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594514712 348061757 /nfs/dbraw/zinc/06/17/57/348061757.db2.gz KZYLZPMKPWUFCN-ZDUSSCGKSA-N 1 0 242.366 3.572 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594518428 348068795 /nfs/dbraw/zinc/06/87/95/348068795.db2.gz IMGHYRBVMQUULB-UHFFFAOYSA-N 1 0 242.366 3.544 20 30 BHEDRO C=CCCSCC[NH2+][C@H]1CCc2ccccc21 ZINC000594708721 348103528 /nfs/dbraw/zinc/10/35/28/348103528.db2.gz CCWIRLAHNYMUKV-HNNXBMFYSA-N 1 0 247.407 3.573 20 30 BHEDRO C=CCCSCC[NH2+][C@@H]1CCc2ccccc21 ZINC000594708722 348103536 /nfs/dbraw/zinc/10/35/36/348103536.db2.gz CCWIRLAHNYMUKV-OAHLLOKOSA-N 1 0 247.407 3.573 20 30 BHEDRO C=CCCSCC[NH2+][C@H](C)c1ccccc1 ZINC000594711397 348104416 /nfs/dbraw/zinc/10/44/16/348104416.db2.gz MSDMPDJDFVBVRP-CYBMUJFWSA-N 1 0 235.396 3.647 20 30 BHEDRO C=CCCSCC[NH2+][C@@H](C)c1ccccc1 ZINC000594711398 348104215 /nfs/dbraw/zinc/10/42/15/348104215.db2.gz MSDMPDJDFVBVRP-ZDUSSCGKSA-N 1 0 235.396 3.647 20 30 BHEDRO CC[C@@H](C)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000594714106 348104783 /nfs/dbraw/zinc/10/47/83/348104783.db2.gz XTFRXEZDMSKOQK-CHWSQXEVSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000594714107 348105112 /nfs/dbraw/zinc/10/51/12/348105112.db2.gz XTFRXEZDMSKOQK-OLZOCXBDSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@H](C)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000594714108 348104983 /nfs/dbraw/zinc/10/49/83/348104983.db2.gz XTFRXEZDMSKOQK-QWHCGFSZSA-N 1 0 230.355 3.645 20 30 BHEDRO CC[C@H](C)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000594714109 348104741 /nfs/dbraw/zinc/10/47/41/348104741.db2.gz XTFRXEZDMSKOQK-STQMWFEESA-N 1 0 230.355 3.645 20 30 BHEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccccc1 ZINC000594717624 348106796 /nfs/dbraw/zinc/10/67/96/348106796.db2.gz NJMCJZNCJXQHIA-AWEZNQCLSA-N 1 0 242.366 3.811 20 30 BHEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccccc1 ZINC000594717625 348107027 /nfs/dbraw/zinc/10/70/27/348107027.db2.gz NJMCJZNCJXQHIA-CQSZACIVSA-N 1 0 242.366 3.811 20 30 BHEDRO C[C@@H]([NH2+]CCCC1CCC1)c1cccc(C#N)c1 ZINC000594728503 348112610 /nfs/dbraw/zinc/11/26/10/348112610.db2.gz OSSVBDPUTCSGQW-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@H]([NH2+]CCCC1CCC1)c1cccc(C#N)c1 ZINC000594728504 348112722 /nfs/dbraw/zinc/11/27/22/348112722.db2.gz OSSVBDPUTCSGQW-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@@H]([NH2+]CCCC1CCC1)c1ccc(C#N)cc1 ZINC000594732201 348109062 /nfs/dbraw/zinc/10/90/62/348109062.db2.gz VDJSDJVCIRENKC-CYBMUJFWSA-N 1 0 242.366 3.789 20 30 BHEDRO C[C@H]([NH2+]CCCC1CCC1)c1ccc(C#N)cc1 ZINC000594732202 348109175 /nfs/dbraw/zinc/10/91/75/348109175.db2.gz VDJSDJVCIRENKC-ZDUSSCGKSA-N 1 0 242.366 3.789 20 30 BHEDRO C=C1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC000594733834 348109908 /nfs/dbraw/zinc/10/99/08/348109908.db2.gz LQURALQHFPZZID-UHFFFAOYSA-N 1 0 229.367 3.764 20 30 BHEDRO C=C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000594733835 348109529 /nfs/dbraw/zinc/10/95/29/348109529.db2.gz MZHOEJMOTVADPC-INIZCTEOSA-N 1 0 227.351 3.716 20 30 BHEDRO C=C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000594733836 348109938 /nfs/dbraw/zinc/10/99/38/348109938.db2.gz MZHOEJMOTVADPC-MRXNPFEDSA-N 1 0 227.351 3.716 20 30 BHEDRO C=C1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000594754336 348111786 /nfs/dbraw/zinc/11/17/86/348111786.db2.gz PRLYLSQZHDXLOD-HNNXBMFYSA-N 1 0 215.340 3.790 20 30 BHEDRO C=C1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC000594754337 348111532 /nfs/dbraw/zinc/11/15/32/348111532.db2.gz PRLYLSQZHDXLOD-OAHLLOKOSA-N 1 0 215.340 3.790 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]CCCCC#N)CC1 ZINC000594918990 348153954 /nfs/dbraw/zinc/15/39/54/348153954.db2.gz FIFVNEYWIYHDHU-KBPBESRZSA-N 1 0 222.376 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]CCCCC#N)CC1 ZINC000594918991 348153995 /nfs/dbraw/zinc/15/39/95/348153995.db2.gz FIFVNEYWIYHDHU-KGLIPLIRSA-N 1 0 222.376 3.629 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]CCCCC#N)CC1 ZINC000594918992 348153992 /nfs/dbraw/zinc/15/39/92/348153992.db2.gz FIFVNEYWIYHDHU-UONOGXRCSA-N 1 0 222.376 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]CCCCC#N)CC1 ZINC000594918993 348154037 /nfs/dbraw/zinc/15/40/37/348154037.db2.gz FIFVNEYWIYHDHU-ZIAGYGMSSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC(CC)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924080 348156753 /nfs/dbraw/zinc/15/67/53/348156753.db2.gz MTAZIYQNKGBMCA-UHFFFAOYSA-N 1 0 242.366 3.520 20 30 BHEDRO CCCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924102 348156798 /nfs/dbraw/zinc/15/67/98/348156798.db2.gz NHXQYCZYJMGGKG-UHFFFAOYSA-N 1 0 242.366 3.522 20 30 BHEDRO N#CCCCC[NH2+]C1CCC(C2CCC2)CC1 ZINC000594924575 348156881 /nfs/dbraw/zinc/15/68/81/348156881.db2.gz JKYYWWKAQDAELT-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC(C)(C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594927535 348138382 /nfs/dbraw/zinc/13/83/82/348138382.db2.gz RYHVMUOUBAJJLS-UHFFFAOYSA-N 1 0 242.366 3.520 20 30 BHEDRO CCC[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594928540 348157361 /nfs/dbraw/zinc/15/73/61/348157361.db2.gz NRDVQJRXGWYTKB-CYBMUJFWSA-N 1 0 242.366 3.520 20 30 BHEDRO CCC[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594928541 348157535 /nfs/dbraw/zinc/15/75/35/348157535.db2.gz NRDVQJRXGWYTKB-ZDUSSCGKSA-N 1 0 242.366 3.520 20 30 BHEDRO N#CCC1(C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000594935035 348141429 /nfs/dbraw/zinc/14/14/29/348141429.db2.gz BBTIRZNYDASNCR-UHFFFAOYSA-N 1 0 246.398 3.629 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000594938888 348142371 /nfs/dbraw/zinc/14/23/71/348142371.db2.gz XBYFPIGBOOVNKM-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000594938890 348142404 /nfs/dbraw/zinc/14/24/04/348142404.db2.gz XBYFPIGBOOVNKM-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000594938892 348142618 /nfs/dbraw/zinc/14/26/18/348142618.db2.gz XBYFPIGBOOVNKM-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000594938893 348142401 /nfs/dbraw/zinc/14/24/01/348142401.db2.gz XBYFPIGBOOVNKM-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCCC[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000594943169 348144357 /nfs/dbraw/zinc/14/43/57/348144357.db2.gz NZFUCRUXIHZFMZ-UHFFFAOYSA-N 1 0 242.366 3.738 20 30 BHEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000594943411 348144323 /nfs/dbraw/zinc/14/43/23/348144323.db2.gz DDEHDCGXBFYACC-HOJRLLLISA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000594943412 348144318 /nfs/dbraw/zinc/14/43/18/348144318.db2.gz DDEHDCGXBFYACC-KKOFPSKJSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000594943413 348144394 /nfs/dbraw/zinc/14/43/94/348144394.db2.gz DDEHDCGXBFYACC-MFNGEMCRSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000594943414 348144401 /nfs/dbraw/zinc/14/44/01/348144401.db2.gz DDEHDCGXBFYACC-TWRYWWQQSA-N 1 0 246.398 3.627 20 30 BHEDRO CC(C)(CC#N)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000594945592 348145421 /nfs/dbraw/zinc/14/54/21/348145421.db2.gz GAGQUKPXOSKKCT-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000594949925 348147293 /nfs/dbraw/zinc/14/72/93/348147293.db2.gz IMTDXKQYDMCMNS-BYNSBNAKSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000594949926 348147284 /nfs/dbraw/zinc/14/72/84/348147284.db2.gz IMTDXKQYDMCMNS-CBBWQLFWSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000594949927 348147379 /nfs/dbraw/zinc/14/73/79/348147379.db2.gz IMTDXKQYDMCMNS-LXTVHRRPSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000594949928 348147295 /nfs/dbraw/zinc/14/72/95/348147295.db2.gz IMTDXKQYDMCMNS-ZQDZILKHSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CCCSCC[NH2+]C/C=C/c1ccccc1 ZINC000594960473 348150914 /nfs/dbraw/zinc/15/09/14/348150914.db2.gz QYVWQINHEDWYLM-JXMROGBWSA-N 1 0 247.407 3.599 20 30 BHEDRO C=CCCSCC[NH2+]C/C=C\c1ccccc1 ZINC000594960475 348150851 /nfs/dbraw/zinc/15/08/51/348150851.db2.gz QYVWQINHEDWYLM-YFHOEESVSA-N 1 0 247.407 3.599 20 30 BHEDRO C=CCCSCC[NH2+]C1CCC2(CC2)CC1 ZINC000594960489 348150961 /nfs/dbraw/zinc/15/09/61/348150961.db2.gz RMZBKEXSBABGIC-UHFFFAOYSA-N 1 0 239.428 3.608 20 30 BHEDRO CC(C)([NH2+]CC1CCCC1)c1cccc(C#N)c1 ZINC000594967573 348161509 /nfs/dbraw/zinc/16/15/09/348161509.db2.gz FIMRJDBQDHXFKN-UHFFFAOYSA-N 1 0 242.366 3.573 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000594969518 348161067 /nfs/dbraw/zinc/16/10/67/348161067.db2.gz ROLSSAZAJYGWLC-JTQLQIEISA-N 1 0 236.384 3.534 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000594970007 348161527 /nfs/dbraw/zinc/16/15/27/348161527.db2.gz ROLSSAZAJYGWLC-SNVBAGLBSA-N 1 0 236.384 3.534 20 30 BHEDRO CC1(C#N)CCC([NH2+]CCCC2CCC2)CC1 ZINC000594976905 348163410 /nfs/dbraw/zinc/16/34/10/348163410.db2.gz IFQMPDRLUASLRJ-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@](C)([NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000594978354 348163159 /nfs/dbraw/zinc/16/31/59/348163159.db2.gz AAYPKPUUYKDHMO-INIZCTEOSA-N 1 0 242.366 3.535 20 30 BHEDRO CC[C@@](C)([NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000594978355 348163476 /nfs/dbraw/zinc/16/34/76/348163476.db2.gz AAYPKPUUYKDHMO-MRXNPFEDSA-N 1 0 242.366 3.535 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594981114 348164069 /nfs/dbraw/zinc/16/40/69/348164069.db2.gz HFIUVLZFYJQPNO-CABCVRRESA-N 1 0 246.398 3.795 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594981117 348164232 /nfs/dbraw/zinc/16/42/32/348164232.db2.gz HFIUVLZFYJQPNO-GJZGRUSLSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594981118 348164421 /nfs/dbraw/zinc/16/44/21/348164421.db2.gz HFIUVLZFYJQPNO-HUUCEWRRSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594981120 348164169 /nfs/dbraw/zinc/16/41/69/348164169.db2.gz HFIUVLZFYJQPNO-LSDHHAIUSA-N 1 0 246.398 3.795 20 30 BHEDRO N#CC1(C[NH2+]C2CCC3(CC3)CC2)CCCCC1 ZINC000594981631 348164443 /nfs/dbraw/zinc/16/44/43/348164443.db2.gz SBXWAMMRDCSKED-UHFFFAOYSA-N 1 0 246.398 3.773 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC000594987510 348166238 /nfs/dbraw/zinc/16/62/38/348166238.db2.gz LBSWXYKCFKJONA-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CCC1([NH2+]Cc2ccccc2C#N)CCCC1 ZINC000594987891 348166864 /nfs/dbraw/zinc/16/68/64/348166864.db2.gz MKMZCTGLIWGQCX-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC000594987932 348166937 /nfs/dbraw/zinc/16/69/37/348166937.db2.gz MTCJUXQPBCYMOR-UHFFFAOYSA-N 1 0 246.379 3.598 20 30 BHEDRO C=CCC1([NH2+]Cc2cc(C#N)cs2)CCCC1 ZINC000594988000 348167083 /nfs/dbraw/zinc/16/70/83/348167083.db2.gz NHQNWQQUOMZORI-UHFFFAOYSA-N 1 0 246.379 3.598 20 30 BHEDRO C=CCC1([NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC000594990520 348166958 /nfs/dbraw/zinc/16/69/58/348166958.db2.gz ZPNIJBMMQNTKKB-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(SCC)CC2)C1 ZINC000594992190 348166816 /nfs/dbraw/zinc/16/68/16/348166816.db2.gz QJKDUNXVTTZWOF-CHWSQXEVSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(SCC)CC2)C1 ZINC000594992207 348166952 /nfs/dbraw/zinc/16/69/52/348166952.db2.gz QJKDUNXVTTZWOF-OLZOCXBDSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(SCC)CC2)C1 ZINC000594992209 348167019 /nfs/dbraw/zinc/16/70/19/348167019.db2.gz QJKDUNXVTTZWOF-QWHCGFSZSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(SCC)CC2)C1 ZINC000594992211 348166966 /nfs/dbraw/zinc/16/69/66/348166966.db2.gz QJKDUNXVTTZWOF-STQMWFEESA-N 1 0 239.428 3.607 20 30 BHEDRO CC1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000594993153 348167956 /nfs/dbraw/zinc/16/79/56/348167956.db2.gz AGCCSDNYGPZEGY-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO Cc1ccsc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594993229 348167872 /nfs/dbraw/zinc/16/78/72/348167872.db2.gz BMAPHCPVCPRKRD-UHFFFAOYSA-N 1 0 248.395 3.620 20 30 BHEDRO Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)s1 ZINC000594994215 348167776 /nfs/dbraw/zinc/16/77/76/348167776.db2.gz IBOWEROVXLVVAS-UHFFFAOYSA-N 1 0 248.395 3.620 20 30 BHEDRO C[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594994257 348167918 /nfs/dbraw/zinc/16/79/18/348167918.db2.gz IXBBAMLAQBQSBA-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594994258 348167794 /nfs/dbraw/zinc/16/77/94/348167794.db2.gz IXBBAMLAQBQSBA-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594994259 348167994 /nfs/dbraw/zinc/16/79/94/348167994.db2.gz IXBBAMLAQBQSBA-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594994260 348167858 /nfs/dbraw/zinc/16/78/58/348167858.db2.gz IXBBAMLAQBQSBA-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO Cc1ccccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594994328 348167886 /nfs/dbraw/zinc/16/78/86/348167886.db2.gz KSVRPOHNEMVXSG-UHFFFAOYSA-N 1 0 242.366 3.559 20 30 BHEDRO N#CC1(C[NH2+]C2CCCCCC2)CCCCC1 ZINC000594995310 348167721 /nfs/dbraw/zinc/16/77/21/348167721.db2.gz OHPHDDJHBCDTGW-UHFFFAOYSA-N 1 0 234.387 3.773 20 30 BHEDRO Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000594995456 348167953 /nfs/dbraw/zinc/16/79/53/348167953.db2.gz QQXZNKMZVGLWPS-UHFFFAOYSA-N 1 0 242.366 3.559 20 30 BHEDRO Cc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594995754 348167975 /nfs/dbraw/zinc/16/79/75/348167975.db2.gz SBDGZARZJVMABU-UHFFFAOYSA-N 1 0 242.366 3.559 20 30 BHEDRO N#CC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC000594995881 348167711 /nfs/dbraw/zinc/16/77/11/348167711.db2.gz UOMGGFGGWDIESA-UHFFFAOYSA-N 1 0 234.387 3.630 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000594997988 348168385 /nfs/dbraw/zinc/16/83/85/348168385.db2.gz DCZQUUILOFIREG-UHFFFAOYSA-N 1 0 242.366 3.701 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000594998468 348168694 /nfs/dbraw/zinc/16/86/94/348168694.db2.gz HEYUDARROQAFHU-UHFFFAOYSA-N 1 0 246.329 3.532 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000594998942 348168318 /nfs/dbraw/zinc/16/83/18/348168318.db2.gz MMEHQPUHSAFPHR-UHFFFAOYSA-N 1 0 246.329 3.532 20 30 BHEDRO Cc1cc(C[NH2+]C2(CC(C)C)CC2)ccc1C#N ZINC000595000408 348169223 /nfs/dbraw/zinc/16/92/23/348169223.db2.gz LCXQTOUCJCNTDR-UHFFFAOYSA-N 1 0 242.366 3.535 20 30 BHEDRO CC(C)(C)C(F)(F)C[NH2+]CC(C)(C)CCC#N ZINC000595001175 348169177 /nfs/dbraw/zinc/16/91/77/348169177.db2.gz RKSVTVSTPLPYBC-UHFFFAOYSA-N 1 0 246.345 3.587 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCSC ZINC000595006465 348158173 /nfs/dbraw/zinc/15/81/73/348158173.db2.gz AIPHLDUGOPOYLE-KBPBESRZSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCSC ZINC000595006466 348158056 /nfs/dbraw/zinc/15/80/56/348158056.db2.gz AIPHLDUGOPOYLE-KGLIPLIRSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCSC ZINC000595006467 348158206 /nfs/dbraw/zinc/15/82/06/348158206.db2.gz AIPHLDUGOPOYLE-UONOGXRCSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCSC ZINC000595006468 348158211 /nfs/dbraw/zinc/15/82/11/348158211.db2.gz AIPHLDUGOPOYLE-ZIAGYGMSSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1SC ZINC000595014829 348185948 /nfs/dbraw/zinc/18/59/48/348185948.db2.gz IURBMBTUNRDAMZ-RFGFWPKPSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1SC ZINC000595014830 348185877 /nfs/dbraw/zinc/18/58/77/348185877.db2.gz IURBMBTUNRDAMZ-RQJABVFESA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1SC ZINC000595014831 348186204 /nfs/dbraw/zinc/18/62/04/348186204.db2.gz IURBMBTUNRDAMZ-XJFOESAGSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1SC ZINC000595014832 348185993 /nfs/dbraw/zinc/18/59/93/348185993.db2.gz IURBMBTUNRDAMZ-ZOBORPQBSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000595042591 348178206 /nfs/dbraw/zinc/17/82/06/348178206.db2.gz TVOXGGROQSKRIQ-FZKCQIBNSA-N 1 0 246.398 3.793 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000595042593 348178215 /nfs/dbraw/zinc/17/82/15/348178215.db2.gz TVOXGGROQSKRIQ-VGWMRTNUSA-N 1 0 246.398 3.793 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000595042595 348178332 /nfs/dbraw/zinc/17/83/32/348178332.db2.gz TVOXGGROQSKRIQ-XUWVNRHRSA-N 1 0 246.398 3.793 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000595042596 348178277 /nfs/dbraw/zinc/17/82/77/348178277.db2.gz TVOXGGROQSKRIQ-YHUYYLMFSA-N 1 0 246.398 3.793 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)C(F)F ZINC000595046837 397979858 /nfs/dbraw/zinc/97/98/58/397979858.db2.gz BPGCTHDSLGAOSQ-JTQLQIEISA-N 1 0 246.345 3.586 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)C(F)F ZINC000595046838 397979820 /nfs/dbraw/zinc/97/98/20/397979820.db2.gz BPGCTHDSLGAOSQ-SNVBAGLBSA-N 1 0 246.345 3.586 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595047702 348180116 /nfs/dbraw/zinc/18/01/16/348180116.db2.gz FLFBIXQNTOEBNY-FPCVCCKLSA-N 1 0 246.398 3.793 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595047704 348180052 /nfs/dbraw/zinc/18/00/52/348180052.db2.gz FLFBIXQNTOEBNY-FZKCQIBNSA-N 1 0 246.398 3.793 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595047705 348179779 /nfs/dbraw/zinc/17/97/79/348179779.db2.gz FLFBIXQNTOEBNY-JJXSEGSLSA-N 1 0 246.398 3.793 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595047706 348180089 /nfs/dbraw/zinc/18/00/89/348180089.db2.gz FLFBIXQNTOEBNY-WCVJEAGWSA-N 1 0 246.398 3.793 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000595052763 348181660 /nfs/dbraw/zinc/18/16/60/348181660.db2.gz VLKUXBVWRMWWCV-HZSPNIEDSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)(CCC#N)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000595052764 348181579 /nfs/dbraw/zinc/18/15/79/348181579.db2.gz VLKUXBVWRMWWCV-RDBSUJKOSA-N 1 0 248.414 3.731 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000595054303 348182043 /nfs/dbraw/zinc/18/20/43/348182043.db2.gz ZCWXTSBPGFORSV-KBPBESRZSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000595054304 348182098 /nfs/dbraw/zinc/18/20/98/348182098.db2.gz ZCWXTSBPGFORSV-KGLIPLIRSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000595054305 348182092 /nfs/dbraw/zinc/18/20/92/348182092.db2.gz ZCWXTSBPGFORSV-UONOGXRCSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000595054306 348182070 /nfs/dbraw/zinc/18/20/70/348182070.db2.gz ZCWXTSBPGFORSV-ZIAGYGMSSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(SC)CC1 ZINC000595054423 348182152 /nfs/dbraw/zinc/18/21/52/348182152.db2.gz NWVPPCGMLZJYQC-CHWSQXEVSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(SC)CC1 ZINC000595054424 348182111 /nfs/dbraw/zinc/18/21/11/348182111.db2.gz NWVPPCGMLZJYQC-OLZOCXBDSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(SC)CC1 ZINC000595054425 348182030 /nfs/dbraw/zinc/18/20/30/348182030.db2.gz NWVPPCGMLZJYQC-QWHCGFSZSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(SC)CC1 ZINC000595054426 348182123 /nfs/dbraw/zinc/18/21/23/348182123.db2.gz NWVPPCGMLZJYQC-STQMWFEESA-N 1 0 239.428 3.607 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055287 388376624 /nfs/dbraw/zinc/37/66/24/388376624.db2.gz BZOCWWSGIQFWBM-CYBMUJFWSA-N 1 0 244.382 3.515 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055292 388376536 /nfs/dbraw/zinc/37/65/36/388376536.db2.gz BZOCWWSGIQFWBM-ZDUSSCGKSA-N 1 0 244.382 3.515 20 30 BHEDRO CCCC[C@H](CC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056012 388375993 /nfs/dbraw/zinc/37/59/93/388375993.db2.gz OQWRCFRKOGWWSD-INIZCTEOSA-N 1 0 244.382 3.659 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056013 388376385 /nfs/dbraw/zinc/37/63/85/388376385.db2.gz OQWRCFRKOGWWSD-MRXNPFEDSA-N 1 0 244.382 3.659 20 30 BHEDRO C=CCCSCC[NH2+][C@H](C)c1ccsc1 ZINC000595057292 348183092 /nfs/dbraw/zinc/18/30/92/348183092.db2.gz CAUUVSJTTZJJDX-LLVKDONJSA-N 1 0 241.425 3.708 20 30 BHEDRO C=CCCSCC[NH2+][C@@H](C)c1ccsc1 ZINC000595057298 348182878 /nfs/dbraw/zinc/18/28/78/348182878.db2.gz CAUUVSJTTZJJDX-NSHDSACASA-N 1 0 241.425 3.708 20 30 BHEDRO C=CCCSCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000595058255 348184022 /nfs/dbraw/zinc/18/40/22/348184022.db2.gz FVNYTYNMHGATRP-GFCCVEGCSA-N 1 0 239.384 3.548 20 30 BHEDRO C=CCCSCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000595058256 348184027 /nfs/dbraw/zinc/18/40/27/348184027.db2.gz FVNYTYNMHGATRP-LBPRGKRZSA-N 1 0 239.384 3.548 20 30 BHEDRO C=CCCSCC[NH2+][C@H](C)c1cccs1 ZINC000595058733 348183783 /nfs/dbraw/zinc/18/37/83/348183783.db2.gz KHRBSGZERFKSMQ-LLVKDONJSA-N 1 0 241.425 3.708 20 30 BHEDRO C=CCCSCC[NH2+][C@@H](C)c1cccs1 ZINC000595058734 348184021 /nfs/dbraw/zinc/18/40/21/348184021.db2.gz KHRBSGZERFKSMQ-NSHDSACASA-N 1 0 241.425 3.708 20 30 BHEDRO CCCC(CCC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595059980 348184583 /nfs/dbraw/zinc/18/45/83/348184583.db2.gz JRTKQSSCWIYBDD-UHFFFAOYSA-N 1 0 244.382 3.659 20 30 BHEDRO C=CCCSCC[NH2+][C@@H]1CCCC12CCC2 ZINC000595060159 348184550 /nfs/dbraw/zinc/18/45/50/348184550.db2.gz SSCFLBKLHWASGS-CYBMUJFWSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCCSCC[NH2+][C@H]1CCCC12CCC2 ZINC000595060160 348184672 /nfs/dbraw/zinc/18/46/72/348184672.db2.gz SSCFLBKLHWASGS-ZDUSSCGKSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCCSCC[NH2+][C@@H]1CCC12CCCC2 ZINC000595060995 348184562 /nfs/dbraw/zinc/18/45/62/348184562.db2.gz WXZGONNZAMRVCY-CYBMUJFWSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCCSCC[NH2+][C@H]1CCC12CCCC2 ZINC000595060997 348184346 /nfs/dbraw/zinc/18/43/46/348184346.db2.gz WXZGONNZAMRVCY-ZDUSSCGKSA-N 1 0 239.428 3.608 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000595061278 348185443 /nfs/dbraw/zinc/18/54/43/348185443.db2.gz ZYZZOGYBJPVXHB-DNOWBOINSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000595061283 348185359 /nfs/dbraw/zinc/18/53/59/348185359.db2.gz ZYZZOGYBJPVXHB-OPFPJEHXSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)CC[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595062985 348186725 /nfs/dbraw/zinc/18/67/25/348186725.db2.gz YPWNSRWHNPEYKS-AWEZNQCLSA-N 1 0 244.382 3.515 20 30 BHEDRO CC(C)CC[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595062986 348186636 /nfs/dbraw/zinc/18/66/36/348186636.db2.gz YPWNSRWHNPEYKS-CQSZACIVSA-N 1 0 244.382 3.515 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595065963 348186640 /nfs/dbraw/zinc/18/66/40/348186640.db2.gz HXQCVYPHSUZTJU-CHWSQXEVSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595065964 348186843 /nfs/dbraw/zinc/18/68/43/348186843.db2.gz HXQCVYPHSUZTJU-OLZOCXBDSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595065965 348186658 /nfs/dbraw/zinc/18/66/58/348186658.db2.gz HXQCVYPHSUZTJU-QWHCGFSZSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595065966 348187358 /nfs/dbraw/zinc/18/73/58/348187358.db2.gz HXQCVYPHSUZTJU-STQMWFEESA-N 1 0 241.444 3.710 20 30 BHEDRO C=CCCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000595069185 348188179 /nfs/dbraw/zinc/18/81/79/348188179.db2.gz NTQKYHATGLBYPE-CABCVRRESA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCC1 ZINC000595071056 348188162 /nfs/dbraw/zinc/18/81/62/348188162.db2.gz NTQKYHATGLBYPE-GJZGRUSLSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000595071057 348188247 /nfs/dbraw/zinc/18/82/47/348188247.db2.gz NTQKYHATGLBYPE-HUUCEWRRSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC000595071058 348188193 /nfs/dbraw/zinc/18/81/93/348188193.db2.gz NTQKYHATGLBYPE-LSDHHAIUSA-N 1 0 246.398 3.795 20 30 BHEDRO CC[C@H](C)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595071683 348188927 /nfs/dbraw/zinc/18/89/27/348188927.db2.gz CNTMPBKJVJTFMF-BLLLJJGKSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[C@H](C)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595071684 348188684 /nfs/dbraw/zinc/18/86/84/348188684.db2.gz CNTMPBKJVJTFMF-LRDDRELGSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[C@@H](C)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595071685 348188754 /nfs/dbraw/zinc/18/87/54/348188754.db2.gz CNTMPBKJVJTFMF-MLGOLLRUSA-N 1 0 242.366 3.571 20 30 BHEDRO CC[C@@H](C)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595071686 348188963 /nfs/dbraw/zinc/18/89/63/348188963.db2.gz CNTMPBKJVJTFMF-WBMJQRKESA-N 1 0 242.366 3.571 20 30 BHEDRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000595072894 348188803 /nfs/dbraw/zinc/18/88/03/348188803.db2.gz KCSAIXRHFMAHAX-NEPJUHHUSA-N 1 0 248.345 3.784 20 30 BHEDRO CC[C@H](C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000595072895 348188887 /nfs/dbraw/zinc/18/88/87/348188887.db2.gz KCSAIXRHFMAHAX-NWDGAFQWSA-N 1 0 248.345 3.784 20 30 BHEDRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000595072896 348188850 /nfs/dbraw/zinc/18/88/50/348188850.db2.gz KCSAIXRHFMAHAX-RYUDHWBXSA-N 1 0 248.345 3.784 20 30 BHEDRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000595072897 348188885 /nfs/dbraw/zinc/18/88/85/348188885.db2.gz KCSAIXRHFMAHAX-VXGBXAGGSA-N 1 0 248.345 3.784 20 30 BHEDRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000595074665 348189109 /nfs/dbraw/zinc/18/91/09/348189109.db2.gz SSLAXIUYCJMPPY-NEPJUHHUSA-N 1 0 248.345 3.784 20 30 BHEDRO CC[C@H](C)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000595074666 348189396 /nfs/dbraw/zinc/18/93/96/348189396.db2.gz SSLAXIUYCJMPPY-NWDGAFQWSA-N 1 0 248.345 3.784 20 30 BHEDRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000595074667 348189386 /nfs/dbraw/zinc/18/93/86/348189386.db2.gz SSLAXIUYCJMPPY-RYUDHWBXSA-N 1 0 248.345 3.784 20 30 BHEDRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000595074668 348189071 /nfs/dbraw/zinc/18/90/71/348189071.db2.gz SSLAXIUYCJMPPY-VXGBXAGGSA-N 1 0 248.345 3.784 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCC1(CSC)CC1 ZINC000595074982 348189445 /nfs/dbraw/zinc/18/94/45/348189445.db2.gz VRPYFDOURCDFHY-CYBMUJFWSA-N 1 0 241.444 3.854 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCC1(CSC)CC1 ZINC000595074983 348189523 /nfs/dbraw/zinc/18/95/23/348189523.db2.gz VRPYFDOURCDFHY-ZDUSSCGKSA-N 1 0 241.444 3.854 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000595079020 388377388 /nfs/dbraw/zinc/37/73/88/388377388.db2.gz CCBHURJSQXJOHJ-BMIGLBTASA-N 1 0 246.329 3.537 20 30 BHEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000595079021 388377390 /nfs/dbraw/zinc/37/73/90/388377390.db2.gz CCBHURJSQXJOHJ-BONVTDFDSA-N 1 0 246.329 3.537 20 30 BHEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000595079022 388376881 /nfs/dbraw/zinc/37/68/81/388376881.db2.gz CCBHURJSQXJOHJ-MEBBXXQBSA-N 1 0 246.329 3.537 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000595079023 388377101 /nfs/dbraw/zinc/37/71/01/388377101.db2.gz CCBHURJSQXJOHJ-ZUZCIYMTSA-N 1 0 246.329 3.537 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1ccc(C#N)cc1 ZINC000595079028 388377352 /nfs/dbraw/zinc/37/73/52/388377352.db2.gz CDEKSNSVVPWWKO-CVEARBPZSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@H](CC)C1CC1)c1ccc(C#N)cc1 ZINC000595079029 388377419 /nfs/dbraw/zinc/37/74/19/388377419.db2.gz CDEKSNSVVPWWKO-HOTGVXAUSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+][C@H](CC)C1CC1)c1ccc(C#N)cc1 ZINC000595079030 388377537 /nfs/dbraw/zinc/37/75/37/388377537.db2.gz CDEKSNSVVPWWKO-HZPDHXFCSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)C1CC1 ZINC000595079031 388376960 /nfs/dbraw/zinc/37/69/60/388376960.db2.gz CDEKSNSVVPWWKO-JKSUJKDBSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+]CCC(C)(C)F)c1ccc(C#N)cc1 ZINC000595083400 348190492 /nfs/dbraw/zinc/19/04/92/348190492.db2.gz DBXSZYSAAXMHEY-AWEZNQCLSA-N 1 0 248.345 3.737 20 30 BHEDRO CC[C@@H]([NH2+]CCC(C)(C)F)c1ccc(C#N)cc1 ZINC000595083401 348190431 /nfs/dbraw/zinc/19/04/31/348190431.db2.gz DBXSZYSAAXMHEY-CQSZACIVSA-N 1 0 248.345 3.737 20 30 BHEDRO C[C@H](CCC1CC1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090128 348191256 /nfs/dbraw/zinc/19/12/56/348191256.db2.gz CUPAWOGNABCNEZ-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H](CCC1CC1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090129 348191208 /nfs/dbraw/zinc/19/12/08/348191208.db2.gz CUPAWOGNABCNEZ-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@H](C2CC2)C2CCC2)CCCCC1 ZINC000595090501 348191183 /nfs/dbraw/zinc/19/11/83/348191183.db2.gz GTVLXFKBHYSMPF-HNNXBMFYSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H](C2CC2)C2CCC2)CCCCC1 ZINC000595090502 348191225 /nfs/dbraw/zinc/19/12/25/348191225.db2.gz GTVLXFKBHYSMPF-OAHLLOKOSA-N 1 0 246.398 3.629 20 30 BHEDRO CC1(C)CC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090548 348190801 /nfs/dbraw/zinc/19/08/01/348190801.db2.gz HNVAOEKSSDWMRV-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090549 348190901 /nfs/dbraw/zinc/19/09/01/348190901.db2.gz HNVAOEKSSDWMRV-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H](CC1CCC1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090646 348190947 /nfs/dbraw/zinc/19/09/47/348190947.db2.gz JZVZVZWTZYYRBJ-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H](CC1CCC1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090647 348191220 /nfs/dbraw/zinc/19/12/20/348191220.db2.gz JZVZVZWTZYYRBJ-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC[C@@H](CC)[NH2+]CC1(C#N)CCCCC1 ZINC000595090668 348191104 /nfs/dbraw/zinc/19/11/04/348191104.db2.gz KPJDMJZVFMUWEL-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC[C@H](CC)[NH2+]CC1(C#N)CCCCC1 ZINC000595090669 348191277 /nfs/dbraw/zinc/19/12/77/348191277.db2.gz KPJDMJZVFMUWEL-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595090934 348191235 /nfs/dbraw/zinc/19/12/35/348191235.db2.gz LDOYACWLYFJZFE-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595090935 348191287 /nfs/dbraw/zinc/19/12/87/348191287.db2.gz LDOYACWLYFJZFE-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090939 348191080 /nfs/dbraw/zinc/19/10/80/348191080.db2.gz LEYDWWFVUHMBSJ-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090941 348190995 /nfs/dbraw/zinc/19/09/95/348190995.db2.gz LEYDWWFVUHMBSJ-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090943 348191822 /nfs/dbraw/zinc/19/18/22/348191822.db2.gz LEYDWWFVUHMBSJ-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090944 348192016 /nfs/dbraw/zinc/19/20/16/348192016.db2.gz LEYDWWFVUHMBSJ-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@H]([NH2+]CC1(C#N)CCCCC1)C1CCC1 ZINC000595091242 348192165 /nfs/dbraw/zinc/19/21/65/348192165.db2.gz ONDWTEXXLZWCIY-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C#N)CCCCC1)C1CCC1 ZINC000595091243 348191594 /nfs/dbraw/zinc/19/15/94/348191594.db2.gz ONDWTEXXLZWCIY-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1(C#N)CCCCC1 ZINC000595091394 348192126 /nfs/dbraw/zinc/19/21/26/348192126.db2.gz QAXYURPHCVQJQA-ILXRZTDVSA-N 1 0 246.398 3.629 20 30 BHEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(C#N)CCCCC1 ZINC000595091395 348192052 /nfs/dbraw/zinc/19/20/52/348192052.db2.gz QAXYURPHCVQJQA-KFWWJZLASA-N 1 0 246.398 3.629 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000595091461 348191972 /nfs/dbraw/zinc/19/19/72/348191972.db2.gz QXEFNGPWRNDTAH-HNNXBMFYSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000595091462 348192140 /nfs/dbraw/zinc/19/21/40/348192140.db2.gz QXEFNGPWRNDTAH-OAHLLOKOSA-N 1 0 246.398 3.795 20 30 BHEDRO CC1(C)CCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595091605 348192158 /nfs/dbraw/zinc/19/21/58/348192158.db2.gz RZPUPCCABRIKCM-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595091606 348191626 /nfs/dbraw/zinc/19/16/26/348191626.db2.gz RZPUPCCABRIKCM-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCCCC1 ZINC000595091615 348192147 /nfs/dbraw/zinc/19/21/47/348192147.db2.gz SBUBCCKYFXWRGV-CABCVRRESA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCCCC1 ZINC000595091616 348191674 /nfs/dbraw/zinc/19/16/74/348191674.db2.gz SBUBCCKYFXWRGV-GJZGRUSLSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCCCC1 ZINC000595091617 348191801 /nfs/dbraw/zinc/19/18/01/348191801.db2.gz SBUBCCKYFXWRGV-HUUCEWRRSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCCCC1 ZINC000595091618 348191784 /nfs/dbraw/zinc/19/17/84/348191784.db2.gz SBUBCCKYFXWRGV-LSDHHAIUSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CCCC23CCC3)CCCCC1 ZINC000595091629 348191864 /nfs/dbraw/zinc/19/18/64/348191864.db2.gz SFDRQVQAHCDBGJ-AWEZNQCLSA-N 1 0 246.398 3.773 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CCCC23CCC3)CCCCC1 ZINC000595091630 348191606 /nfs/dbraw/zinc/19/16/06/348191606.db2.gz SFDRQVQAHCDBGJ-CQSZACIVSA-N 1 0 246.398 3.773 20 30 BHEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)C1CCCC1 ZINC000595092070 348192645 /nfs/dbraw/zinc/19/26/45/348192645.db2.gz VZLKRRRNPJWGHO-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)C1CCCC1 ZINC000595092071 348193065 /nfs/dbraw/zinc/19/30/65/348193065.db2.gz VZLKRRRNPJWGHO-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092130 348192862 /nfs/dbraw/zinc/19/28/62/348192862.db2.gz XMGQJKBCFOJZLC-KBPBESRZSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092131 348192882 /nfs/dbraw/zinc/19/28/82/348192882.db2.gz XMGQJKBCFOJZLC-KGLIPLIRSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092132 348192958 /nfs/dbraw/zinc/19/29/58/348192958.db2.gz XMGQJKBCFOJZLC-UONOGXRCSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092133 348192681 /nfs/dbraw/zinc/19/26/81/348192681.db2.gz XMGQJKBCFOJZLC-ZIAGYGMSSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1(C#N)CCCCC1 ZINC000595092136 348193054 /nfs/dbraw/zinc/19/30/54/348193054.db2.gz XQLVLRFMRZRUJC-AWEZNQCLSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1(C#N)CCCCC1 ZINC000595092137 348192750 /nfs/dbraw/zinc/19/27/50/348192750.db2.gz XQLVLRFMRZRUJC-CQSZACIVSA-N 1 0 234.387 3.795 20 30 BHEDRO N#CC1(C[NH2+][C@H]2CCC23CCCC3)CCCCC1 ZINC000595092219 348192732 /nfs/dbraw/zinc/19/27/32/348192732.db2.gz ZLBWRYKBHJJHMN-AWEZNQCLSA-N 1 0 246.398 3.773 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CCC23CCCC3)CCCCC1 ZINC000595092220 348192852 /nfs/dbraw/zinc/19/28/52/348192852.db2.gz ZLBWRYKBHJJHMN-CQSZACIVSA-N 1 0 246.398 3.773 20 30 BHEDRO CC[C@H]([NH2+]CC1=CCCC1)c1ccc(C#N)cc1 ZINC000595094133 348192922 /nfs/dbraw/zinc/19/29/22/348192922.db2.gz DQVJAROWMXPITB-INIZCTEOSA-N 1 0 240.350 3.709 20 30 BHEDRO CC[C@@H]([NH2+]CC1=CCCC1)c1ccc(C#N)cc1 ZINC000595094134 348192825 /nfs/dbraw/zinc/19/28/25/348192825.db2.gz DQVJAROWMXPITB-MRXNPFEDSA-N 1 0 240.350 3.709 20 30 BHEDRO CC(C)CC1([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000595095829 348193421 /nfs/dbraw/zinc/19/34/21/348193421.db2.gz QEUSDBTWLMIGOS-CYBMUJFWSA-N 1 0 242.366 3.788 20 30 BHEDRO CC(C)CC1([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000595095830 348193392 /nfs/dbraw/zinc/19/33/92/348193392.db2.gz QEUSDBTWLMIGOS-ZDUSSCGKSA-N 1 0 242.366 3.788 20 30 BHEDRO CC(C)CC1([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000595096222 348193439 /nfs/dbraw/zinc/19/34/39/348193439.db2.gz WFXWABUJLMUYST-UHFFFAOYSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)CC1([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000595096256 348193702 /nfs/dbraw/zinc/19/37/02/348193702.db2.gz XVWFITPQUBUUSD-CYBMUJFWSA-N 1 0 242.366 3.788 20 30 BHEDRO CC(C)CC1([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000595096258 348193770 /nfs/dbraw/zinc/19/37/70/348193770.db2.gz XVWFITPQUBUUSD-ZDUSSCGKSA-N 1 0 242.366 3.788 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(SCC)CC1)C1CC1 ZINC000595098560 348194247 /nfs/dbraw/zinc/19/42/47/348194247.db2.gz IKXXNSYSOYSMGR-CYBMUJFWSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(SCC)CC1)C1CC1 ZINC000595098561 348194228 /nfs/dbraw/zinc/19/42/28/348194228.db2.gz IKXXNSYSOYSMGR-ZDUSSCGKSA-N 1 0 239.428 3.607 20 30 BHEDRO CC[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(C#N)cc1 ZINC000595100794 348195091 /nfs/dbraw/zinc/19/50/91/348195091.db2.gz JAKAPLIIYMYOEU-GDBMZVCRSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(C#N)cc1 ZINC000595100795 348195231 /nfs/dbraw/zinc/19/52/31/348195231.db2.gz JAKAPLIIYMYOEU-GOEBONIOSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(C#N)cc1 ZINC000595100796 348195174 /nfs/dbraw/zinc/19/51/74/348195174.db2.gz JAKAPLIIYMYOEU-HOCLYGCPSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(C#N)cc1 ZINC000595100797 348195029 /nfs/dbraw/zinc/19/50/29/348195029.db2.gz JAKAPLIIYMYOEU-ZBFHGGJFSA-N 1 0 242.366 3.788 20 30 BHEDRO CCCC[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595101567 348195303 /nfs/dbraw/zinc/19/53/03/348195303.db2.gz WZCFTGGTGQXVME-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCC[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595101568 348195126 /nfs/dbraw/zinc/19/51/26/348195126.db2.gz WZCFTGGTGQXVME-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccs1 ZINC000595101915 348195977 /nfs/dbraw/zinc/19/59/77/348195977.db2.gz ZKNFHRNWMKEHNX-GFCCVEGCSA-N 1 0 248.395 3.873 20 30 BHEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccs1 ZINC000595101917 348195983 /nfs/dbraw/zinc/19/59/83/348195983.db2.gz ZKNFHRNWMKEHNX-LBPRGKRZSA-N 1 0 248.395 3.873 20 30 BHEDRO C[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595101937 348195970 /nfs/dbraw/zinc/19/59/70/348195970.db2.gz ZUZSWIMKCJBKAJ-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595101938 348195840 /nfs/dbraw/zinc/19/58/40/348195840.db2.gz ZUZSWIMKCJBKAJ-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595101939 348195952 /nfs/dbraw/zinc/19/59/52/348195952.db2.gz ZUZSWIMKCJBKAJ-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595101940 348195929 /nfs/dbraw/zinc/19/59/29/348195929.db2.gz ZUZSWIMKCJBKAJ-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1(SCC)CC1 ZINC000595102039 348196180 /nfs/dbraw/zinc/19/61/80/348196180.db2.gz YNJSCVZLCHRULH-GFCCVEGCSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1(SCC)CC1 ZINC000595102040 348195895 /nfs/dbraw/zinc/19/58/95/348195895.db2.gz YNJSCVZLCHRULH-LBPRGKRZSA-N 1 0 227.417 3.607 20 30 BHEDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000595102148 348196218 /nfs/dbraw/zinc/19/62/18/348196218.db2.gz KNRHBHJUTLDZOC-BMIGLBTASA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000595102149 348196006 /nfs/dbraw/zinc/19/60/06/348196006.db2.gz KNRHBHJUTLDZOC-BONVTDFDSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000595102150 348195825 /nfs/dbraw/zinc/19/58/25/348195825.db2.gz KNRHBHJUTLDZOC-MEBBXXQBSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000595102151 348196190 /nfs/dbraw/zinc/19/61/90/348196190.db2.gz KNRHBHJUTLDZOC-ZUZCIYMTSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(C#N)cc1F ZINC000595105909 348196506 /nfs/dbraw/zinc/19/65/06/348196506.db2.gz UHAOMDGJSLKTGR-BMIGLBTASA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(C#N)cc1F ZINC000595105911 348196812 /nfs/dbraw/zinc/19/68/12/348196812.db2.gz UHAOMDGJSLKTGR-BONVTDFDSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(C#N)cc1F ZINC000595105912 348196980 /nfs/dbraw/zinc/19/69/80/348196980.db2.gz UHAOMDGJSLKTGR-MEBBXXQBSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(C#N)cc1F ZINC000595105913 348196538 /nfs/dbraw/zinc/19/65/38/348196538.db2.gz UHAOMDGJSLKTGR-ZUZCIYMTSA-N 1 0 246.329 3.537 20 30 BHEDRO C[N@H+](CCCC1CCC1)Cc1ccc(C#N)cc1 ZINC000595288237 348213265 /nfs/dbraw/zinc/21/32/65/348213265.db2.gz LXORDLMFGWLSDS-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO C[N@H+](CCCC1CCC1)Cc1cccc(C#N)c1 ZINC000595289997 348213108 /nfs/dbraw/zinc/21/31/08/348213108.db2.gz RZXISCMVYMMASF-UHFFFAOYSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)=CCC[N@H+](CCC#N)CC(C)(C)C ZINC000595329918 348227960 /nfs/dbraw/zinc/22/79/60/348227960.db2.gz YMYAXJTVEASSCJ-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO CC[C@H](C)CN(CC)[C@H](C#N)c1ccccc1 ZINC000595343838 348234315 /nfs/dbraw/zinc/23/43/15/348234315.db2.gz FLMBPCHQGCYNNL-DZGCQCFKSA-N 1 0 230.355 3.619 20 30 BHEDRO CC[C@@H](C)CN(CC)[C@@H](C#N)c1ccccc1 ZINC000595343839 348234360 /nfs/dbraw/zinc/23/43/60/348234360.db2.gz FLMBPCHQGCYNNL-HIFRSBDPSA-N 1 0 230.355 3.619 20 30 BHEDRO CC[C@@H](C)CN(CC)[C@H](C#N)c1ccccc1 ZINC000595343840 348234597 /nfs/dbraw/zinc/23/45/97/348234597.db2.gz FLMBPCHQGCYNNL-UKRRQHHQSA-N 1 0 230.355 3.619 20 30 BHEDRO CC[C@H](C)CN(CC)[C@@H](C#N)c1ccccc1 ZINC000595343841 348234339 /nfs/dbraw/zinc/23/43/39/348234339.db2.gz FLMBPCHQGCYNNL-ZFWWWQNUSA-N 1 0 230.355 3.619 20 30 BHEDRO CCC(CC)C[N@H+](CCC#N)CC1CC=CC1 ZINC000595349148 348237177 /nfs/dbraw/zinc/23/71/77/348237177.db2.gz ZIZDCMCXJRAWJZ-UHFFFAOYSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)=CCC[N@H+](CCC#N)CCC(C)C ZINC000595349157 348237189 /nfs/dbraw/zinc/23/71/89/348237189.db2.gz ZODNEAGRWLPKLY-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO CCC(CC)(CC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595376301 348232592 /nfs/dbraw/zinc/23/25/92/348232592.db2.gz HVMMLCKOYKVHED-UHFFFAOYSA-N 1 0 244.382 3.659 20 30 BHEDRO CC1(C)CCCC[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000595423611 348246203 /nfs/dbraw/zinc/24/62/03/348246203.db2.gz BXWABIHTDXBHDB-HNNXBMFYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCCC[C@@H]1C[NH+]1CCC(CC#N)CC1 ZINC000595423612 348245953 /nfs/dbraw/zinc/24/59/53/348245953.db2.gz BXWABIHTDXBHDB-OAHLLOKOSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCCC[C@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000595428831 348248487 /nfs/dbraw/zinc/24/84/87/348248487.db2.gz NZSZQOLSBLRZTA-AWEZNQCLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCCC[C@@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000595428832 348248540 /nfs/dbraw/zinc/24/85/40/348248540.db2.gz NZSZQOLSBLRZTA-CQSZACIVSA-N 1 0 248.414 3.828 20 30 BHEDRO CCC(CC)[N@H+](CC)CCc1ccc(C#N)cc1 ZINC000595488684 348261629 /nfs/dbraw/zinc/26/16/29/348261629.db2.gz IIILPDZHAGRCLT-UHFFFAOYSA-N 1 0 244.382 3.611 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595489924 348261563 /nfs/dbraw/zinc/26/15/63/348261563.db2.gz KKDPDIITFJNBGP-AWEZNQCLSA-N 1 0 244.382 3.611 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595489926 348261328 /nfs/dbraw/zinc/26/13/28/348261328.db2.gz KKDPDIITFJNBGP-CQSZACIVSA-N 1 0 244.382 3.611 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC1CCC1 ZINC000595548175 348268604 /nfs/dbraw/zinc/26/86/04/348268604.db2.gz ARAHDPBNXGPCJU-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC1CCC1 ZINC000595548177 348268629 /nfs/dbraw/zinc/26/86/29/348268629.db2.gz ARAHDPBNXGPCJU-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO CC(C)=CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549728 348268349 /nfs/dbraw/zinc/26/83/49/348268349.db2.gz LQXNONMRPDUDGX-AWEZNQCLSA-N 1 0 242.366 3.907 20 30 BHEDRO CC(C)=CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549729 348268737 /nfs/dbraw/zinc/26/87/37/348268737.db2.gz LQXNONMRPDUDGX-CQSZACIVSA-N 1 0 242.366 3.907 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1CC=CC1 ZINC000595549730 348268378 /nfs/dbraw/zinc/26/83/78/348268378.db2.gz LRASWSJXFQPVIH-CYBMUJFWSA-N 1 0 240.350 3.517 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1CC=CC1 ZINC000595549731 348268533 /nfs/dbraw/zinc/26/85/33/348268533.db2.gz LRASWSJXFQPVIH-ZDUSSCGKSA-N 1 0 240.350 3.517 20 30 BHEDRO N#CC1(CC[N@@H+]2C[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000595566534 348283765 /nfs/dbraw/zinc/28/37/65/348283765.db2.gz IBSXZBSBYWBSAH-GJZGRUSLSA-N 1 0 246.398 3.725 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595567852 348283732 /nfs/dbraw/zinc/28/37/32/348283732.db2.gz RKWCAJWZPDKRFA-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000595599939 348294587 /nfs/dbraw/zinc/29/45/87/348294587.db2.gz CJHVLXZPMLWCLV-HNNXBMFYSA-N 1 0 242.366 3.744 20 30 BHEDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCCC#N ZINC000595599940 348294841 /nfs/dbraw/zinc/29/48/41/348294841.db2.gz CJHVLXZPMLWCLV-OAHLLOKOSA-N 1 0 242.366 3.744 20 30 BHEDRO CC(C)(C)[N@H+](CCCC#N)Cc1ccsc1 ZINC000595600783 348295569 /nfs/dbraw/zinc/29/55/69/348295569.db2.gz JGHGTFMWWLSDLC-UHFFFAOYSA-N 1 0 236.384 3.652 20 30 BHEDRO CC(C)(C)N(Cc1ccsc1)CC1(C#N)CC1 ZINC000595603059 348286430 /nfs/dbraw/zinc/28/64/30/348286430.db2.gz XEWVTGKNHVWTSC-UHFFFAOYSA-N 1 0 248.395 3.652 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@H]1CCCC12CCCCC2 ZINC000595605631 348286781 /nfs/dbraw/zinc/28/67/81/348286781.db2.gz RQFBKWJBDFKNGT-KBPBESRZSA-N 1 0 234.387 3.771 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@H]1CCCC12CCCCC2 ZINC000595605632 348286968 /nfs/dbraw/zinc/28/69/68/348286968.db2.gz RQFBKWJBDFKNGT-KGLIPLIRSA-N 1 0 234.387 3.771 20 30 BHEDRO C[C@@H](CCC#N)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000595605633 348286817 /nfs/dbraw/zinc/28/68/17/348286817.db2.gz RQFBKWJBDFKNGT-UONOGXRCSA-N 1 0 234.387 3.771 20 30 BHEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000595605634 348287189 /nfs/dbraw/zinc/28/71/89/348287189.db2.gz RQFBKWJBDFKNGT-ZIAGYGMSSA-N 1 0 234.387 3.771 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000595605938 348286786 /nfs/dbraw/zinc/28/67/86/348286786.db2.gz ZQNFFRYQBYBIHZ-KBPBESRZSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000595605940 348286835 /nfs/dbraw/zinc/28/68/35/348286835.db2.gz ZQNFFRYQBYBIHZ-KGLIPLIRSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000595605942 348286941 /nfs/dbraw/zinc/28/69/41/348286941.db2.gz ZQNFFRYQBYBIHZ-UONOGXRCSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000595605944 348286831 /nfs/dbraw/zinc/28/68/31/348286831.db2.gz ZQNFFRYQBYBIHZ-ZIAGYGMSSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610782 487872977 /nfs/dbraw/zinc/87/29/77/487872977.db2.gz CCPPNUCKCYQGJV-CHWSQXEVSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610783 487872773 /nfs/dbraw/zinc/87/27/73/487872773.db2.gz CCPPNUCKCYQGJV-OLZOCXBDSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610784 487872891 /nfs/dbraw/zinc/87/28/91/487872891.db2.gz CCPPNUCKCYQGJV-QWHCGFSZSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610785 487873014 /nfs/dbraw/zinc/87/30/14/487873014.db2.gz CCPPNUCKCYQGJV-STQMWFEESA-N 1 0 246.329 3.512 20 30 BHEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613172 385634337 /nfs/dbraw/zinc/63/43/37/385634337.db2.gz AFQLHCYGVGAMTK-CABCVRRESA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613173 385634710 /nfs/dbraw/zinc/63/47/10/385634710.db2.gz AFQLHCYGVGAMTK-GJZGRUSLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613175 385634604 /nfs/dbraw/zinc/63/46/04/385634604.db2.gz AFQLHCYGVGAMTK-HUUCEWRRSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613176 385634477 /nfs/dbraw/zinc/63/44/77/385634477.db2.gz AFQLHCYGVGAMTK-LSDHHAIUSA-N 1 0 242.366 3.682 20 30 BHEDRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613318 348288425 /nfs/dbraw/zinc/28/84/25/348288425.db2.gz AWZUPUGWBAOCDF-GDBMZVCRSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613319 348288287 /nfs/dbraw/zinc/28/82/87/348288287.db2.gz AWZUPUGWBAOCDF-GOEBONIOSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613320 348287947 /nfs/dbraw/zinc/28/79/47/348287947.db2.gz AWZUPUGWBAOCDF-HOCLYGCPSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613321 348288309 /nfs/dbraw/zinc/28/83/09/348288309.db2.gz AWZUPUGWBAOCDF-ZBFHGGJFSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613348 348288317 /nfs/dbraw/zinc/28/83/17/348288317.db2.gz BMDJCVDJTLAIPC-CHWSQXEVSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613349 348288332 /nfs/dbraw/zinc/28/83/32/348288332.db2.gz BMDJCVDJTLAIPC-OLZOCXBDSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613350 348288433 /nfs/dbraw/zinc/28/84/33/348288433.db2.gz BMDJCVDJTLAIPC-QWHCGFSZSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613351 348288366 /nfs/dbraw/zinc/28/83/66/348288366.db2.gz BMDJCVDJTLAIPC-STQMWFEESA-N 1 0 246.329 3.512 20 30 BHEDRO N#CC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000595613462 348288049 /nfs/dbraw/zinc/28/80/49/348288049.db2.gz DMRCBVADFSEAIT-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CC[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000595613463 348287908 /nfs/dbraw/zinc/28/79/08/348287908.db2.gz DMRCBVADFSEAIT-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595615087 348288859 /nfs/dbraw/zinc/28/88/59/348288859.db2.gz OWZBQJHDNVIEPB-BZUAXINKSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595615089 348288891 /nfs/dbraw/zinc/28/88/91/348288891.db2.gz OWZBQJHDNVIEPB-OAGGEKHMSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595615091 348288794 /nfs/dbraw/zinc/28/87/94/348288794.db2.gz OWZBQJHDNVIEPB-OWCLPIDISA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595615093 348289141 /nfs/dbraw/zinc/28/91/41/348289141.db2.gz OWZBQJHDNVIEPB-PMPSAXMXSA-N 1 0 248.414 3.828 20 30 BHEDRO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595617297 348289968 /nfs/dbraw/zinc/28/99/68/348289968.db2.gz YDJOKQKJRIZODT-CABCVRRESA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595617298 348289650 /nfs/dbraw/zinc/28/96/50/348289650.db2.gz YDJOKQKJRIZODT-GJZGRUSLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595617299 348289679 /nfs/dbraw/zinc/28/96/79/348289679.db2.gz YDJOKQKJRIZODT-HUUCEWRRSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595617301 348289707 /nfs/dbraw/zinc/28/97/07/348289707.db2.gz YDJOKQKJRIZODT-LSDHHAIUSA-N 1 0 242.366 3.682 20 30 BHEDRO CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618435 348290540 /nfs/dbraw/zinc/29/05/40/348290540.db2.gz YAEWXZAOEMWISJ-CABCVRRESA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618437 348290423 /nfs/dbraw/zinc/29/04/23/348290423.db2.gz YAEWXZAOEMWISJ-GJZGRUSLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618439 348290527 /nfs/dbraw/zinc/29/05/27/348290527.db2.gz YAEWXZAOEMWISJ-HUUCEWRRSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618440 348290456 /nfs/dbraw/zinc/29/04/56/348290456.db2.gz YAEWXZAOEMWISJ-LSDHHAIUSA-N 1 0 248.414 3.828 20 30 BHEDRO N#CC[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000595620723 491079507 /nfs/dbraw/zinc/07/95/07/491079507.db2.gz PIQNLNJUHUQXDW-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CC[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000595620724 491079565 /nfs/dbraw/zinc/07/95/65/491079565.db2.gz PIQNLNJUHUQXDW-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CC[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC000595622800 348291164 /nfs/dbraw/zinc/29/11/64/348291164.db2.gz DJKQGEOEXXTZIF-INIZCTEOSA-N 1 0 248.414 3.973 20 30 BHEDRO N#CC[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC000595622801 348290888 /nfs/dbraw/zinc/29/08/88/348290888.db2.gz DJKQGEOEXXTZIF-MRXNPFEDSA-N 1 0 248.414 3.973 20 30 BHEDRO CC(C)([NH2+]CCCCCF)c1cccc(C#N)c1 ZINC000595631984 348293653 /nfs/dbraw/zinc/29/36/53/348293653.db2.gz AMPCGWLMJVNWON-UHFFFAOYSA-N 1 0 248.345 3.523 20 30 BHEDRO CC(C)([NH2+]CCC1CCC1)c1cccc(C#N)c1 ZINC000595632912 348293583 /nfs/dbraw/zinc/29/35/83/348293583.db2.gz KBYYYQVEEAHLGK-UHFFFAOYSA-N 1 0 242.366 3.573 20 30 BHEDRO CC(C)([NH2+]CC1(C)CCC1)c1cccc(C#N)c1 ZINC000595632914 348293561 /nfs/dbraw/zinc/29/35/61/348293561.db2.gz KJOAHNWFJJKQLI-UHFFFAOYSA-N 1 0 242.366 3.573 20 30 BHEDRO C=CCCCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633387 348286800 /nfs/dbraw/zinc/28/68/00/348286800.db2.gz QUQHGQFNEHCELX-UHFFFAOYSA-N 1 0 242.366 3.739 20 30 BHEDRO CC(C)=CCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633731 348302863 /nfs/dbraw/zinc/30/28/63/348302863.db2.gz XNYODNICYIKITL-UHFFFAOYSA-N 1 0 242.366 3.739 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000595638062 348303389 /nfs/dbraw/zinc/30/33/89/348303389.db2.gz BFDIRPDWYQKKMR-LLVKDONJSA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000595638063 348303646 /nfs/dbraw/zinc/30/36/46/348303646.db2.gz BFDIRPDWYQKKMR-NSHDSACASA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]CCCC(C)(C)C#N ZINC000595638705 348303602 /nfs/dbraw/zinc/30/36/02/348303602.db2.gz LLWJGLKFQITPKR-GFCCVEGCSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]CCCC(C)(C)C#N ZINC000595638706 348303366 /nfs/dbraw/zinc/30/33/66/348303366.db2.gz LLWJGLKFQITPKR-LBPRGKRZSA-N 1 0 224.392 3.731 20 30 BHEDRO CC/C=C/CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595641000 348304350 /nfs/dbraw/zinc/30/43/50/348304350.db2.gz WFJPCVGDMWBUJB-AATRIKPKSA-N 1 0 242.366 3.739 20 30 BHEDRO CC/C=C\CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595641001 348304329 /nfs/dbraw/zinc/30/43/29/348304329.db2.gz WFJPCVGDMWBUJB-WAYWQWQTSA-N 1 0 242.366 3.739 20 30 BHEDRO CCCCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595641032 348304402 /nfs/dbraw/zinc/30/44/02/348304402.db2.gz XEYFYDBUPMRPFB-UHFFFAOYSA-N 1 0 230.355 3.573 20 30 BHEDRO N#CCCCC[N@@H+]1CCCC2(CCCC2)CC1 ZINC000595641109 348304218 /nfs/dbraw/zinc/30/42/18/348304218.db2.gz BHPPGAXECSEZTL-UHFFFAOYSA-N 1 0 234.387 3.727 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000595641189 348304250 /nfs/dbraw/zinc/30/42/50/348304250.db2.gz DMQWVEXZPZXHJO-LLVKDONJSA-N 1 0 248.345 3.612 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000595641190 348304191 /nfs/dbraw/zinc/30/41/91/348304191.db2.gz DMQWVEXZPZXHJO-NSHDSACASA-N 1 0 248.345 3.612 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CCCC3)CC2)C1 ZINC000595641376 348304366 /nfs/dbraw/zinc/30/43/66/348304366.db2.gz KGBSDAXOHJKEKC-CABCVRRESA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCCC3(CCCC3)CC2)C1 ZINC000595641377 348304082 /nfs/dbraw/zinc/30/40/82/348304082.db2.gz KGBSDAXOHJKEKC-GJZGRUSLSA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CCCC3)CC2)C1 ZINC000595641378 348304246 /nfs/dbraw/zinc/30/42/46/348304246.db2.gz KGBSDAXOHJKEKC-HUUCEWRRSA-N 1 0 246.398 3.725 20 30 BHEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCCC3(CCCC3)CC2)C1 ZINC000595641379 348304307 /nfs/dbraw/zinc/30/43/07/348304307.db2.gz KGBSDAXOHJKEKC-LSDHHAIUSA-N 1 0 246.398 3.725 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CCCC2(CCCC2)CC1 ZINC000595641431 348304278 /nfs/dbraw/zinc/30/42/78/348304278.db2.gz MCWXQWBYZAAFPL-AWEZNQCLSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CCCC2(CCCC2)CC1 ZINC000595641432 348304121 /nfs/dbraw/zinc/30/41/21/348304121.db2.gz MCWXQWBYZAAFPL-CQSZACIVSA-N 1 0 234.387 3.725 20 30 BHEDRO C=CC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000595657768 348298151 /nfs/dbraw/zinc/29/81/51/348298151.db2.gz BYQMQEDQOUDCBD-AWEZNQCLSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000595657769 348297894 /nfs/dbraw/zinc/29/78/94/348297894.db2.gz BYQMQEDQOUDCBD-CQSZACIVSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000595660195 348299431 /nfs/dbraw/zinc/29/94/31/348299431.db2.gz SIFUEOLZLSULEF-HNNXBMFYSA-N 1 0 248.414 3.995 20 30 BHEDRO C=CC[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000595660196 348299620 /nfs/dbraw/zinc/29/96/20/348299620.db2.gz SIFUEOLZLSULEF-OAHLLOKOSA-N 1 0 248.414 3.995 20 30 BHEDRO CC(C)(C#N)CCC[NH+]1CCC(C2CCC2)CC1 ZINC000595661331 348300273 /nfs/dbraw/zinc/30/02/73/348300273.db2.gz YRHHIOWWJFQRLV-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)[C@H]([NH2+][C@H](C)CCC#N)c1ccccc1F ZINC000595692486 348316466 /nfs/dbraw/zinc/31/64/66/348316466.db2.gz NOPSISZMJVKZAO-DOMZBBRYSA-N 1 0 248.345 3.805 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@H](C)CCC#N)c1ccccc1F ZINC000595692493 348316586 /nfs/dbraw/zinc/31/65/86/348316586.db2.gz NOPSISZMJVKZAO-IUODEOHRSA-N 1 0 248.345 3.805 20 30 BHEDRO CC(C)[C@@H]([NH2+][C@@H](C)CCC#N)c1ccccc1F ZINC000595692495 348316377 /nfs/dbraw/zinc/31/63/77/348316377.db2.gz NOPSISZMJVKZAO-SWLSCSKDSA-N 1 0 248.345 3.805 20 30 BHEDRO CC(C)[C@H]([NH2+][C@@H](C)CCC#N)c1ccccc1F ZINC000595692498 348316576 /nfs/dbraw/zinc/31/65/76/348316576.db2.gz NOPSISZMJVKZAO-WFASDCNBSA-N 1 0 248.345 3.805 20 30 BHEDRO CC(C)[C@H]([NH2+]CCCCC#N)c1ccccc1F ZINC000595693279 348304778 /nfs/dbraw/zinc/30/47/78/348304778.db2.gz LMPHLEHFTRKOIL-HNNXBMFYSA-N 1 0 248.345 3.806 20 30 BHEDRO CC(C)[C@@H]([NH2+]CCCCC#N)c1ccccc1F ZINC000595693280 348304873 /nfs/dbraw/zinc/30/48/73/348304873.db2.gz LMPHLEHFTRKOIL-OAHLLOKOSA-N 1 0 248.345 3.806 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702332 487876027 /nfs/dbraw/zinc/87/60/27/487876027.db2.gz ITWZDKLXUDVSLY-AWEZNQCLSA-N 1 0 246.329 3.512 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702334 487876047 /nfs/dbraw/zinc/87/60/47/487876047.db2.gz ITWZDKLXUDVSLY-CQSZACIVSA-N 1 0 246.329 3.512 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000595731584 348317360 /nfs/dbraw/zinc/31/73/60/348317360.db2.gz ATASPWASPJADDA-BMFZPTHFSA-N 1 0 246.398 3.581 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000595731587 348317446 /nfs/dbraw/zinc/31/74/46/348317446.db2.gz ATASPWASPJADDA-FVQBIDKESA-N 1 0 246.398 3.581 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000595731589 348317203 /nfs/dbraw/zinc/31/72/03/348317203.db2.gz ATASPWASPJADDA-KBMXLJTQSA-N 1 0 246.398 3.581 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000595731592 348317455 /nfs/dbraw/zinc/31/74/55/348317455.db2.gz ATASPWASPJADDA-VNQPRFMTSA-N 1 0 246.398 3.581 20 30 BHEDRO N#CCCCC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595732184 348317441 /nfs/dbraw/zinc/31/74/41/348317441.db2.gz CSNFQBGKGTUCFB-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CCCCC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595732185 348317107 /nfs/dbraw/zinc/31/71/07/348317107.db2.gz CSNFQBGKGTUCFB-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595738784 348318754 /nfs/dbraw/zinc/31/87/54/348318754.db2.gz NVLLAKFSAHZYSW-DZGCQCFKSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595738785 348319089 /nfs/dbraw/zinc/31/90/89/348319089.db2.gz NVLLAKFSAHZYSW-HIFRSBDPSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595738792 348318898 /nfs/dbraw/zinc/31/88/98/348318898.db2.gz NVLLAKFSAHZYSW-UKRRQHHQSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595738801 348319081 /nfs/dbraw/zinc/31/90/81/348319081.db2.gz NVLLAKFSAHZYSW-ZFWWWQNUSA-N 1 0 234.387 3.581 20 30 BHEDRO CC1(C)CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC(C)(C)C1 ZINC000595748359 348340104 /nfs/dbraw/zinc/34/01/04/348340104.db2.gz FXUZQZBBLZXHSG-KBPBESRZSA-N 1 0 248.414 3.827 20 30 BHEDRO 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222.376 3.581 20 30 BHEDRO CCC1(CC)CCC[N@H+](CCCCC#N)C1 ZINC000595753300 348341935 /nfs/dbraw/zinc/34/19/35/348341935.db2.gz SFQAXTFQQRCIJV-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO CCC1(CC)CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000595753900 348341985 /nfs/dbraw/zinc/34/19/85/348341985.db2.gz ZURHQAXZVWCCMA-KBPBESRZSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC1(CC)CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000595753902 348342265 /nfs/dbraw/zinc/34/22/65/348342265.db2.gz ZURHQAXZVWCCMA-KGLIPLIRSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC1(CC)CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000595753903 348342238 /nfs/dbraw/zinc/34/22/38/348342238.db2.gz ZURHQAXZVWCCMA-UONOGXRCSA-N 1 0 234.387 3.581 20 30 BHEDRO CCC1(CC)CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000595753904 348342164 /nfs/dbraw/zinc/34/21/64/348342164.db2.gz ZURHQAXZVWCCMA-ZIAGYGMSSA-N 1 0 234.387 3.581 20 30 BHEDRO C=CC[N@H+](Cc1ccc(CC#N)cc1)C(C)(C)C ZINC000595764901 348334332 /nfs/dbraw/zinc/33/43/32/348334332.db2.gz GRRCIGBMMOSKAF-UHFFFAOYSA-N 1 0 242.366 3.539 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(C#N)cc1C)C(C)(C)C ZINC000595765128 348334315 /nfs/dbraw/zinc/33/43/15/348334315.db2.gz HIYJMQVJDNKMRT-UHFFFAOYSA-N 1 0 242.366 3.653 20 30 BHEDRO C=CC[N@@H+](CCCC(C)(C)C#N)C(C)(C)C ZINC000595765203 348334238 /nfs/dbraw/zinc/33/42/38/348334238.db2.gz IHZCZDCICHYMOL-UHFFFAOYSA-N 1 0 222.376 3.603 20 30 BHEDRO C=CC[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C ZINC000595765285 348334244 /nfs/dbraw/zinc/33/42/44/348334244.db2.gz JOLNHIQUCOGJMV-UHFFFAOYSA-N 1 0 236.403 3.993 20 30 BHEDRO CC[C@H]([NH2+]CCC1(C#N)CCCCC1)C1CC1 ZINC000595766231 348335194 /nfs/dbraw/zinc/33/51/94/348335194.db2.gz NFXLAQUEXCHUCK-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]([NH2+]CCC1(C#N)CCCCC1)C1CC1 ZINC000595766233 348334935 /nfs/dbraw/zinc/33/49/35/348334935.db2.gz NFXLAQUEXCHUCK-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCC1([NH2+]CCCC(C)(C)C#N)CCCC1 ZINC000595780153 348339221 /nfs/dbraw/zinc/33/92/21/348339221.db2.gz 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248.414 3.828 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595830944 348365782 /nfs/dbraw/zinc/36/57/82/348365782.db2.gz CHFJWLKHWBURQU-OAHLLOKOSA-N 1 0 248.414 3.828 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+]C1(CC(C)C)CC1 ZINC000595831064 348365549 /nfs/dbraw/zinc/36/55/49/348365549.db2.gz MFJFZCDLAGNSAY-UHFFFAOYSA-N 1 0 242.366 3.535 20 30 BHEDRO CCC(CC)CCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000595833870 348367585 /nfs/dbraw/zinc/36/75/85/348367585.db2.gz SMBHZBBRDZLFEZ-HNNXBMFYSA-N 1 0 249.402 3.578 20 30 BHEDRO CCC(CC)CCC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000595833871 348367103 /nfs/dbraw/zinc/36/71/03/348367103.db2.gz SMBHZBBRDZLFEZ-OAHLLOKOSA-N 1 0 249.402 3.578 20 30 BHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(C)(C)C#N ZINC000595845364 348354970 /nfs/dbraw/zinc/35/49/70/348354970.db2.gz MMOBMPTVAIQAFU-GASCZTMLSA-N 1 0 246.398 3.889 20 30 BHEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(C)(C)C#N ZINC000595856762 348357833 /nfs/dbraw/zinc/35/78/33/348357833.db2.gz DWNPQQRIPSLXSO-GOOCMWNKSA-N 1 0 248.414 3.969 20 30 BHEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C#N ZINC000595858058 348358736 /nfs/dbraw/zinc/35/87/36/348358736.db2.gz RJKFFMHTJHVVLX-AGUYFDCRSA-N 1 0 234.387 3.579 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@H+](CCC#N)C(C)C ZINC000595858121 348358410 /nfs/dbraw/zinc/35/84/10/348358410.db2.gz SRHJHMQIPDZLSG-HNNXBMFYSA-N 1 0 230.355 3.762 20 30 BHEDRO CC[C@H](c1ccccc1)[N@H+](CCC#N)C(C)C ZINC000595858122 348358582 /nfs/dbraw/zinc/35/85/82/348358582.db2.gz SRHJHMQIPDZLSG-OAHLLOKOSA-N 1 0 230.355 3.762 20 30 BHEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCC(C)(C)C#N ZINC000595867049 348384588 /nfs/dbraw/zinc/38/45/88/348384588.db2.gz JZWJLLDDUMWKFF-QWHCGFSZSA-N 1 0 222.376 3.579 20 30 BHEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000595868222 348384601 /nfs/dbraw/zinc/38/46/01/348384601.db2.gz UEWRCKBGENCQAF-UONOGXRCSA-N 1 0 236.403 3.969 20 30 BHEDRO N#CCCCC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000595868646 348385240 /nfs/dbraw/zinc/38/52/40/348385240.db2.gz 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234.387 3.725 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000595878340 348387863 /nfs/dbraw/zinc/38/78/63/348387863.db2.gz NFOQMFJWLPZGEU-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CCCC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000595878349 348387835 /nfs/dbraw/zinc/38/78/35/348387835.db2.gz NFOQMFJWLPZGEU-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000595880705 348387910 /nfs/dbraw/zinc/38/79/10/348387910.db2.gz NUQQPLIPMQCMJK-INIZCTEOSA-N 1 0 248.414 3.973 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000595880706 348387884 /nfs/dbraw/zinc/38/78/84/348387884.db2.gz NUQQPLIPMQCMJK-MRXNPFEDSA-N 1 0 248.414 3.973 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000595880822 348387736 /nfs/dbraw/zinc/38/77/36/348387736.db2.gz PEFYOWQNWUGSJH-HNNXBMFYSA-N 1 0 246.398 3.582 20 30 BHEDRO N#CC1(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000595880831 348387877 /nfs/dbraw/zinc/38/78/77/348387877.db2.gz PEFYOWQNWUGSJH-OAHLLOKOSA-N 1 0 246.398 3.582 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)C[C@H]1CC1(C)C ZINC000595907594 348397372 /nfs/dbraw/zinc/39/73/72/348397372.db2.gz BONWHTBHOKDZSM-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1CC1(C)C ZINC000595907595 348397615 /nfs/dbraw/zinc/39/76/15/348397615.db2.gz BONWHTBHOKDZSM-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO CC1(C)C[C@]1([NH2+]CCCCC#N)c1ccccc1 ZINC000595908297 348397039 /nfs/dbraw/zinc/39/70/39/348397039.db2.gz GVVWLTSPQSKUOR-INIZCTEOSA-N 1 0 242.366 3.595 20 30 BHEDRO CC1(C)C[C@@]1([NH2+]CCCCC#N)c1ccccc1 ZINC000595908298 348397533 /nfs/dbraw/zinc/39/75/33/348397533.db2.gz GVVWLTSPQSKUOR-MRXNPFEDSA-N 1 0 242.366 3.595 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CC1(C)C ZINC000595910958 348398636 /nfs/dbraw/zinc/39/86/36/348398636.db2.gz VAEXFEWZAGWUBG-DOMZBBRYSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CC1(C)C ZINC000595910960 348398735 /nfs/dbraw/zinc/39/87/35/348398735.db2.gz VAEXFEWZAGWUBG-IUODEOHRSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CC1(C)C ZINC000595910962 348398844 /nfs/dbraw/zinc/39/88/44/348398844.db2.gz VAEXFEWZAGWUBG-SWLSCSKDSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CC1(C)C ZINC000595910964 348398920 /nfs/dbraw/zinc/39/89/20/348398920.db2.gz VAEXFEWZAGWUBG-WFASDCNBSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CC1(C)C ZINC000595911377 348398987 /nfs/dbraw/zinc/39/89/87/348398987.db2.gz FZRCZINQWQCXSR-DOMZBBRYSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CC1(C)C ZINC000595911378 348398867 /nfs/dbraw/zinc/39/88/67/348398867.db2.gz FZRCZINQWQCXSR-IUODEOHRSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CC1(C)C ZINC000595911379 348398808 /nfs/dbraw/zinc/39/88/08/348398808.db2.gz FZRCZINQWQCXSR-SWLSCSKDSA-N 1 0 242.366 3.597 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CC1(C)C ZINC000595911380 348398964 /nfs/dbraw/zinc/39/89/64/348398964.db2.gz FZRCZINQWQCXSR-WFASDCNBSA-N 1 0 242.366 3.597 20 30 BHEDRO CC(C)c1cccc(C[NH2+]CC(C)(C)CC#N)c1 ZINC000596053053 348434051 /nfs/dbraw/zinc/43/40/51/348434051.db2.gz ABQCVTRQTOMXPP-UHFFFAOYSA-N 1 0 244.382 3.839 20 30 BHEDRO CC(C)c1cccc(C[NH2+]CC2(CC#N)CC2)c1 ZINC000596053424 348433777 /nfs/dbraw/zinc/43/37/77/348433777.db2.gz DUKKPGNBSDAUMW-UHFFFAOYSA-N 1 0 242.366 3.593 20 30 BHEDRO CC(C)c1cccc(C[NH2+]CCCCC#N)c1 ZINC000596055408 348433853 /nfs/dbraw/zinc/43/38/53/348433853.db2.gz JETPWIZQDHPRJL-UHFFFAOYSA-N 1 0 230.355 3.593 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C1CCC(C2CCC2)CC1 ZINC000597086924 348655869 /nfs/dbraw/zinc/65/58/69/348655869.db2.gz OQXWBFZGBQPOAQ-SHARSMKWSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C1CCC(C2CCC2)CC1 ZINC000597086925 348656280 /nfs/dbraw/zinc/65/62/80/348656280.db2.gz OQXWBFZGBQPOAQ-SLTAFYQDSA-N 1 0 234.387 3.627 20 30 BHEDRO N#CC1(C[NH2+]C2CCC(C3CCC3)CC2)CCC1 ZINC000597152761 348665301 /nfs/dbraw/zinc/66/53/01/348665301.db2.gz DDYCWQKDDUDKSH-UHFFFAOYSA-N 1 0 246.398 3.629 20 30 BHEDRO CC(C)c1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000597153957 348665182 /nfs/dbraw/zinc/66/51/82/348665182.db2.gz MBJAUELNYVDJIQ-UHFFFAOYSA-N 1 0 242.366 3.593 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000597153964 348665337 /nfs/dbraw/zinc/66/53/37/348665337.db2.gz MFSBYKHZJOUMQQ-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000597153965 348665194 /nfs/dbraw/zinc/66/51/94/348665194.db2.gz MFSBYKHZJOUMQQ-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000597153966 348665513 /nfs/dbraw/zinc/66/55/13/348665513.db2.gz MFSBYKHZJOUMQQ-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000597153967 348665446 /nfs/dbraw/zinc/66/54/46/348665446.db2.gz MFSBYKHZJOUMQQ-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000597154896 348666050 /nfs/dbraw/zinc/66/60/50/348666050.db2.gz SDAGBDNGVGNYEG-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000597154897 348666236 /nfs/dbraw/zinc/66/62/36/348666236.db2.gz SDAGBDNGVGNYEG-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000597175283 348669593 /nfs/dbraw/zinc/66/95/93/348669593.db2.gz ALCLZJQAGGIUJP-BPUTZDHNSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000597175286 348669438 /nfs/dbraw/zinc/66/94/38/348669438.db2.gz ALCLZJQAGGIUJP-CWRNSKLLSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000597175288 348669502 /nfs/dbraw/zinc/66/95/02/348669502.db2.gz ALCLZJQAGGIUJP-IMJJTQAJSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000597175291 348669571 /nfs/dbraw/zinc/66/95/71/348669571.db2.gz ALCLZJQAGGIUJP-NUEKZKHPSA-N 1 0 246.398 3.604 20 30 BHEDRO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000597176702 348669632 /nfs/dbraw/zinc/66/96/32/348669632.db2.gz JJDRNQPGDNTPLY-BZUAXINKSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000597176709 348669590 /nfs/dbraw/zinc/66/95/90/348669590.db2.gz JJDRNQPGDNTPLY-OAGGEKHMSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000597176710 348669630 /nfs/dbraw/zinc/66/96/30/348669630.db2.gz JJDRNQPGDNTPLY-OWCLPIDISA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000597176711 348669469 /nfs/dbraw/zinc/66/94/69/348669469.db2.gz JJDRNQPGDNTPLY-PMPSAXMXSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597176995 348669540 /nfs/dbraw/zinc/66/95/40/348669540.db2.gz LFNHVOWVCNAMPK-ARFHVFGLSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597176996 348669337 /nfs/dbraw/zinc/66/93/37/348669337.db2.gz LFNHVOWVCNAMPK-HRCADAONSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597176997 348669506 /nfs/dbraw/zinc/66/95/06/348669506.db2.gz LFNHVOWVCNAMPK-JYJNAYRXSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597176998 348669623 /nfs/dbraw/zinc/66/96/23/348669623.db2.gz LFNHVOWVCNAMPK-XHSDSOJGSA-N 1 0 246.398 3.604 20 30 BHEDRO N#CC[C@@H]1CCC[N@H+](CCCC2CCCCC2)C1 ZINC000597177618 348670217 /nfs/dbraw/zinc/67/02/17/348670217.db2.gz QMBXQUXKDLOROW-INIZCTEOSA-N 1 0 248.414 3.973 20 30 BHEDRO N#CC[C@H]1CCC[N@H+](CCCC2CCCCC2)C1 ZINC000597177619 348670064 /nfs/dbraw/zinc/67/00/64/348670064.db2.gz QMBXQUXKDLOROW-MRXNPFEDSA-N 1 0 248.414 3.973 20 30 BHEDRO CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000597177917 348664811 /nfs/dbraw/zinc/66/48/11/348664811.db2.gz SEZUWJZVWAISIE-CABCVRRESA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC[C@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000597177918 348664888 /nfs/dbraw/zinc/66/48/88/348664888.db2.gz SEZUWJZVWAISIE-GJZGRUSLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000597177919 348664719 /nfs/dbraw/zinc/66/47/19/348664719.db2.gz SEZUWJZVWAISIE-HUUCEWRRSA-N 1 0 248.414 3.828 20 30 BHEDRO CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000597177921 348664853 /nfs/dbraw/zinc/66/48/53/348664853.db2.gz SEZUWJZVWAISIE-LSDHHAIUSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)C(C[N@@H+]1CCC[C@@H](CC#N)C1)C(C)C ZINC000597178273 348666528 /nfs/dbraw/zinc/66/65/28/348666528.db2.gz WTVBFDOGYIZJGF-AWEZNQCLSA-N 1 0 236.403 3.540 20 30 BHEDRO CC(C)C(C[N@@H+]1CCC[C@H](CC#N)C1)C(C)C ZINC000597178275 348666499 /nfs/dbraw/zinc/66/64/99/348666499.db2.gz WTVBFDOGYIZJGF-CQSZACIVSA-N 1 0 236.403 3.540 20 30 BHEDRO C=CCCSCC[NH2+]C[C@H](C)c1ccccc1 ZINC000597183658 348682269 /nfs/dbraw/zinc/68/22/69/348682269.db2.gz CGQYKLHGMUBTPF-AWEZNQCLSA-N 1 0 249.423 3.689 20 30 BHEDRO C=CCCSCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000597183662 348682335 /nfs/dbraw/zinc/68/23/35/348682335.db2.gz CGQYKLHGMUBTPF-CQSZACIVSA-N 1 0 249.423 3.689 20 30 BHEDRO CC(C)(CCC#N)C[NH+]1CCC(C2CCC2)CC1 ZINC000597186607 348683609 /nfs/dbraw/zinc/68/36/09/348683609.db2.gz LBXBKAXAMRZHKN-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO C=CC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000597189189 348685062 /nfs/dbraw/zinc/68/50/62/348685062.db2.gz ZEFZIONRXFEGQU-AWEZNQCLSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000597189190 348685016 /nfs/dbraw/zinc/68/50/16/348685016.db2.gz ZEFZIONRXFEGQU-CQSZACIVSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[NH+]1CC(CC#N)C1 ZINC000597202725 348676192 /nfs/dbraw/zinc/67/61/92/348676192.db2.gz AZKNPXHVFUIHBY-AWEZNQCLSA-N 1 0 234.387 3.604 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[NH+]1CC(CC#N)C1 ZINC000597202726 348676428 /nfs/dbraw/zinc/67/64/28/348676428.db2.gz AZKNPXHVFUIHBY-CQSZACIVSA-N 1 0 234.387 3.604 20 30 BHEDRO CCC1(CC)CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000597208022 348679260 /nfs/dbraw/zinc/67/92/60/348679260.db2.gz JLRZZJRMOQPUEH-UHFFFAOYSA-N 1 0 246.354 3.553 20 30 BHEDRO CC1=CC[C@H]([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000597226745 348695781 /nfs/dbraw/zinc/69/57/81/348695781.db2.gz XXOYBBKRVNVEMH-AWEZNQCLSA-N 1 0 232.371 3.549 20 30 BHEDRO CC1=CC[C@@H]([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000597226746 348696200 /nfs/dbraw/zinc/69/62/00/348696200.db2.gz XXOYBBKRVNVEMH-CQSZACIVSA-N 1 0 232.371 3.549 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000597227983 348696083 /nfs/dbraw/zinc/69/60/83/348696083.db2.gz JXSMPHMDRZAVRP-HNNXBMFYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000597227984 348696049 /nfs/dbraw/zinc/69/60/49/348696049.db2.gz JXSMPHMDRZAVRP-OAHLLOKOSA-N 1 0 248.414 3.828 20 30 BHEDRO C[C@@]1(C#N)CC[N@H+](CCCC2CCCCC2)C1 ZINC000597232689 348699859 /nfs/dbraw/zinc/69/98/59/348699859.db2.gz VLXBVXOMFXFICQ-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@]1(C#N)CC[N@H+](CCCC2CCCCC2)C1 ZINC000597232690 348700375 /nfs/dbraw/zinc/70/03/75/348700375.db2.gz VLXBVXOMFXFICQ-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)(CCC#N)C[N@H+](CCC1CC1)CC1CC1 ZINC000597233392 348700531 /nfs/dbraw/zinc/70/05/31/348700531.db2.gz FCACHRRVKXJPRM-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]([NH2+]CC1CC(C)C1)c1ccc(C#N)cc1 ZINC000598679910 349021718 /nfs/dbraw/zinc/02/17/18/349021718.db2.gz QJESWRVXKVXPSM-LDZOIKDWSA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@H]([NH2+]CC1CC(C)C1)c1ccc(C#N)cc1 ZINC000598679911 349021829 /nfs/dbraw/zinc/02/18/29/349021829.db2.gz QJESWRVXKVXPSM-PXCJXSSVSA-N 1 0 242.366 3.645 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@@H]2CC23CCCCC3)CC1 ZINC000598983093 349076726 /nfs/dbraw/zinc/07/67/26/349076726.db2.gz ALJAQXLPFMSUKJ-SHARSMKWSA-N 1 0 246.398 3.771 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@H]2CC23CCCCC3)CC1 ZINC000598983094 349076497 /nfs/dbraw/zinc/07/64/97/349076497.db2.gz ALJAQXLPFMSUKJ-SLTAFYQDSA-N 1 0 246.398 3.771 20 30 BHEDRO C=CC(C)(C)CC[NH2+]CC(C)(C)CCC#N ZINC000598985524 349072443 /nfs/dbraw/zinc/07/24/43/349072443.db2.gz RDVTUOURHNBQKJ-UHFFFAOYSA-N 1 0 222.376 3.508 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CC[C@H]1CC=CCC1 ZINC000599001039 349074199 /nfs/dbraw/zinc/07/41/99/349074199.db2.gz REALUKFDXYZGEE-AWEZNQCLSA-N 1 0 234.387 3.652 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CC[C@@H]1CC=CCC1 ZINC000599001041 349074198 /nfs/dbraw/zinc/07/41/98/349074198.db2.gz REALUKFDXYZGEE-CQSZACIVSA-N 1 0 234.387 3.652 20 30 BHEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000599014594 349082189 /nfs/dbraw/zinc/08/21/89/349082189.db2.gz CPHOBWCHDYXTDI-NFOMZHRRSA-N 1 0 246.398 3.629 20 30 BHEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000599014595 349082019 /nfs/dbraw/zinc/08/20/19/349082019.db2.gz CPHOBWCHDYXTDI-WLYUNCDWSA-N 1 0 246.398 3.629 20 30 BHEDRO CC[C@@H](CCc1ccccc1)[NH2+]CCCCC#N ZINC000599027319 349078044 /nfs/dbraw/zinc/07/80/44/349078044.db2.gz LPJTWQFWWKONHR-INIZCTEOSA-N 1 0 244.382 3.681 20 30 BHEDRO CC[C@H](CCc1ccccc1)[NH2+]CCCCC#N ZINC000599027320 349077899 /nfs/dbraw/zinc/07/78/99/349077899.db2.gz LPJTWQFWWKONHR-MRXNPFEDSA-N 1 0 244.382 3.681 20 30 BHEDRO Cc1cccc([C@@H]([NH2+]CCCCC#N)C(C)C)c1 ZINC000599028623 349079813 /nfs/dbraw/zinc/07/98/13/349079813.db2.gz YETWWWHGQCAWGC-INIZCTEOSA-N 1 0 244.382 3.976 20 30 BHEDRO CC[C@H]([NH2+]CCCC#N)c1cc(C)ccc1C ZINC000599043142 349081143 /nfs/dbraw/zinc/08/11/43/349081143.db2.gz GLOZASKEEDMCKK-HNNXBMFYSA-N 1 0 230.355 3.648 20 30 BHEDRO CC[C@@H]([NH2+]CCCC#N)c1cc(C)ccc1C ZINC000599043150 349081063 /nfs/dbraw/zinc/08/10/63/349081063.db2.gz GLOZASKEEDMCKK-OAHLLOKOSA-N 1 0 230.355 3.648 20 30 BHEDRO Cc1cccc([C@@H]([NH2+]CCCC#N)C(C)C)c1 ZINC000599043192 349081329 /nfs/dbraw/zinc/08/13/29/349081329.db2.gz GSNBIVAVKGQXTC-HNNXBMFYSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1cccc([C@H]([NH2+]CCCC#N)C(C)C)c1 ZINC000599043194 349081117 /nfs/dbraw/zinc/08/11/17/349081117.db2.gz GSNBIVAVKGQXTC-OAHLLOKOSA-N 1 0 230.355 3.586 20 30 BHEDRO CC(C)c1cccc([C@@H](C)[NH2+]CCCC#N)c1 ZINC000599045907 349088754 /nfs/dbraw/zinc/08/87/54/349088754.db2.gz UBBJOEGRZQZWSR-CYBMUJFWSA-N 1 0 230.355 3.764 20 30 BHEDRO CC(C)c1cccc([C@H](C)[NH2+]CCCC#N)c1 ZINC000599045908 349088980 /nfs/dbraw/zinc/08/89/80/349088980.db2.gz UBBJOEGRZQZWSR-ZDUSSCGKSA-N 1 0 230.355 3.764 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000599056610 349084595 /nfs/dbraw/zinc/08/45/95/349084595.db2.gz KLXNPDVORCWFSO-CYBMUJFWSA-N 1 0 242.366 3.811 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000599056611 349084445 /nfs/dbraw/zinc/08/44/45/349084445.db2.gz KLXNPDVORCWFSO-ZDUSSCGKSA-N 1 0 242.366 3.811 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000599056671 349084685 /nfs/dbraw/zinc/08/46/85/349084685.db2.gz MACPRFIRNGLRJS-CYBMUJFWSA-N 1 0 242.366 3.811 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000599056672 349084688 /nfs/dbraw/zinc/08/46/88/349084688.db2.gz MACPRFIRNGLRJS-ZDUSSCGKSA-N 1 0 242.366 3.811 20 30 BHEDRO Cc1ccc(C[N@@H+](C(C)C)C2CCC2)cc1C#N ZINC000599331843 349157730 /nfs/dbraw/zinc/15/77/30/349157730.db2.gz INUAOCOLIQSPDK-UHFFFAOYSA-N 1 0 242.366 3.630 20 30 BHEDRO CCC[C@H](C)CCC[NH+]1CCC(CC#N)CC1 ZINC000599356745 349159284 /nfs/dbraw/zinc/15/92/84/349159284.db2.gz GECLPJYVCUSCJS-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC[C@@H](C)CCC[NH+]1CCC(CC#N)CC1 ZINC000599356746 349159437 /nfs/dbraw/zinc/15/94/37/349159437.db2.gz GECLPJYVCUSCJS-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO Cc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1C#N ZINC000599361865 349160073 /nfs/dbraw/zinc/16/00/73/349160073.db2.gz FXHYWZUYGGVFTP-CYBMUJFWSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1C#N ZINC000599361866 349159718 /nfs/dbraw/zinc/15/97/18/349159718.db2.gz FXHYWZUYGGVFTP-ZDUSSCGKSA-N 1 0 242.366 3.535 20 30 BHEDRO CCC[C@H](C)CCC[NH+]1CCC(C)(C#N)CC1 ZINC000599365515 349160619 /nfs/dbraw/zinc/16/06/19/349160619.db2.gz DVBSBTRPJWQKNB-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC[C@@H](C)CCC[NH+]1CCC(C)(C#N)CC1 ZINC000599365516 349160967 /nfs/dbraw/zinc/16/09/67/349160967.db2.gz DVBSBTRPJWQKNB-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC[C@@H](C)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000599470026 349194120 /nfs/dbraw/zinc/19/41/20/349194120.db2.gz ORSLJOVUKVYWJJ-CABCVRRESA-N 1 0 236.403 3.828 20 30 BHEDRO CCC[C@H](C)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000599470031 349194334 /nfs/dbraw/zinc/19/43/34/349194334.db2.gz ORSLJOVUKVYWJJ-GJZGRUSLSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC[C@@H](C)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000599470033 349194493 /nfs/dbraw/zinc/19/44/93/349194493.db2.gz ORSLJOVUKVYWJJ-HUUCEWRRSA-N 1 0 236.403 3.828 20 30 BHEDRO CCC[C@H](C)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000599470034 349194518 /nfs/dbraw/zinc/19/45/18/349194518.db2.gz ORSLJOVUKVYWJJ-LSDHHAIUSA-N 1 0 236.403 3.828 20 30 BHEDRO Cc1ccc(C[NH2+]C2(CC(C)C)CC2)cc1C#N ZINC000599475086 349195055 /nfs/dbraw/zinc/19/50/55/349195055.db2.gz GJAFFLFQHBKZOY-UHFFFAOYSA-N 1 0 242.366 3.535 20 30 BHEDRO Cc1ccc(C[N@H+](CCCC#N)C(C)(C)C)cc1 ZINC000599527095 349208637 /nfs/dbraw/zinc/20/86/37/349208637.db2.gz DKKAZTITEKJOMJ-UHFFFAOYSA-N 1 0 244.382 3.899 20 30 BHEDRO C=CC[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000599529227 349209701 /nfs/dbraw/zinc/20/97/01/349209701.db2.gz KLPBPXOAISFKAR-AWEZNQCLSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000599529228 349209273 /nfs/dbraw/zinc/20/92/73/349209273.db2.gz KLPBPXOAISFKAR-CQSZACIVSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CC[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000599529805 349209712 /nfs/dbraw/zinc/20/97/12/349209712.db2.gz QGZMLHZCHJEHLS-HNNXBMFYSA-N 1 0 246.398 3.749 20 30 BHEDRO C=CC[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000599529806 349209378 /nfs/dbraw/zinc/20/93/78/349209378.db2.gz QGZMLHZCHJEHLS-OAHLLOKOSA-N 1 0 246.398 3.749 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CC(C)(C)CCC1(C)C ZINC000599538777 349221169 /nfs/dbraw/zinc/22/11/69/349221169.db2.gz RYFSSLBPKDJDDO-UHFFFAOYSA-N 1 0 236.403 3.827 20 30 BHEDRO CC1(C)CCC(C)(C)[N@H+](CCCCC#N)C1 ZINC000599539202 349221305 /nfs/dbraw/zinc/22/13/05/349221305.db2.gz YMLSWSKPTAYJMP-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CCC1([NH2+]CCC(C)(C)C#N)CCCCC1 ZINC000599609142 349227347 /nfs/dbraw/zinc/22/73/47/349227347.db2.gz GVOCPYCFCKQPIS-UHFFFAOYSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCC1([NH2+]CCCCC#N)CCCCC1 ZINC000599609886 349227285 /nfs/dbraw/zinc/22/72/85/349227285.db2.gz LNUJISGZVQLNGV-UHFFFAOYSA-N 1 0 220.360 3.549 20 30 BHEDRO C=CCC1([NH2+]CCCSC)CCCCC1 ZINC000599610797 349227924 /nfs/dbraw/zinc/22/79/24/349227924.db2.gz UNBRNMTYFFYPSJ-UHFFFAOYSA-N 1 0 227.417 3.608 20 30 BHEDRO Cc1cccc([C@@H]([NH2+]CC2(C#N)CC2)C(C)C)c1 ZINC000599630207 349229960 /nfs/dbraw/zinc/22/99/60/349229960.db2.gz ONXVKCGXBHAYEY-HNNXBMFYSA-N 1 0 242.366 3.586 20 30 BHEDRO Cc1cccc([C@H]([NH2+]CC2(C#N)CC2)C(C)C)c1 ZINC000599630208 349229607 /nfs/dbraw/zinc/22/96/07/349229607.db2.gz ONXVKCGXBHAYEY-OAHLLOKOSA-N 1 0 242.366 3.586 20 30 BHEDRO Cc1cccc([C@H]([NH2+][C@H](C)CCC#N)C(C)C)c1 ZINC000599630776 349236455 /nfs/dbraw/zinc/23/64/55/349236455.db2.gz VDKMQDONCLMGME-GDBMZVCRSA-N 1 0 244.382 3.974 20 30 BHEDRO Cc1cccc([C@H]([NH2+][C@@H](C)CCC#N)C(C)C)c1 ZINC000599630787 349236343 /nfs/dbraw/zinc/23/63/43/349236343.db2.gz VDKMQDONCLMGME-GOEBONIOSA-N 1 0 244.382 3.974 20 30 BHEDRO Cc1cccc([C@@H]([NH2+][C@@H](C)CCC#N)C(C)C)c1 ZINC000599630789 349236387 /nfs/dbraw/zinc/23/63/87/349236387.db2.gz VDKMQDONCLMGME-HOCLYGCPSA-N 1 0 244.382 3.974 20 30 BHEDRO Cc1cccc([C@@H]([NH2+][C@H](C)CCC#N)C(C)C)c1 ZINC000599630792 349236388 /nfs/dbraw/zinc/23/63/88/349236388.db2.gz VDKMQDONCLMGME-ZBFHGGJFSA-N 1 0 244.382 3.974 20 30 BHEDRO C[C@@H](C[N@H+](C)CCCCC#N)C1CCCCC1 ZINC000599633517 349237213 /nfs/dbraw/zinc/23/72/13/349237213.db2.gz UQFRGIXRJNUWRV-AWEZNQCLSA-N 1 0 236.403 3.828 20 30 BHEDRO C[C@H](C[N@H+](C)CCCCC#N)C1CCCCC1 ZINC000599633522 349237030 /nfs/dbraw/zinc/23/70/30/349237030.db2.gz UQFRGIXRJNUWRV-CQSZACIVSA-N 1 0 236.403 3.828 20 30 BHEDRO CC[C@H]([NH2+]CC1(C#N)CC1)c1cc(C)ccc1C ZINC000599640614 349238499 /nfs/dbraw/zinc/23/84/99/349238499.db2.gz LFBKEOSGCJPWDZ-HNNXBMFYSA-N 1 0 242.366 3.648 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cc(C)ccc1C ZINC000599640620 349238806 /nfs/dbraw/zinc/23/88/06/349238806.db2.gz LFBKEOSGCJPWDZ-OAHLLOKOSA-N 1 0 242.366 3.648 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599671805 349239972 /nfs/dbraw/zinc/23/99/72/349239972.db2.gz RURVVSLCJJISHC-HOCLYGCPSA-N 1 0 248.414 3.971 20 30 BHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC2(CC2)CC1 ZINC000599673771 349241513 /nfs/dbraw/zinc/24/15/13/349241513.db2.gz YGNLMYZGAHGBPN-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1CCCC2(CC2)CC1 ZINC000599673831 349241184 /nfs/dbraw/zinc/24/11/84/349241184.db2.gz ZHMSEUMHYGIYDV-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599675591 349242240 /nfs/dbraw/zinc/24/22/40/349242240.db2.gz SFSYDANYCDNUCT-ZFWWWQNUSA-N 1 0 234.387 3.581 20 30 BHEDRO C/C=C\C[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000599688577 349244759 /nfs/dbraw/zinc/24/47/59/349244759.db2.gz FFWGEZHJYZINIE-FOSCPCJNSA-N 1 0 248.414 3.995 20 30 BHEDRO C/C=C/C[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000599688578 349244620 /nfs/dbraw/zinc/24/46/20/349244620.db2.gz FFWGEZHJYZINIE-MBVDDHJVSA-N 1 0 248.414 3.995 20 30 BHEDRO C/C=C/C[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000599688579 349244580 /nfs/dbraw/zinc/24/45/80/349244580.db2.gz FFWGEZHJYZINIE-RGDDUWESSA-N 1 0 248.414 3.995 20 30 BHEDRO C/C=C\C[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000599688580 349244633 /nfs/dbraw/zinc/24/46/33/349244633.db2.gz FFWGEZHJYZINIE-XVWMLYKFSA-N 1 0 248.414 3.995 20 30 BHEDRO C/C=C/C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000599691489 349245736 /nfs/dbraw/zinc/24/57/36/349245736.db2.gz RVZLYJMXYJHADV-ISZGNANSSA-N 1 0 234.387 3.604 20 30 BHEDRO C/C=C/C[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000599691490 349245403 /nfs/dbraw/zinc/24/54/03/349245403.db2.gz RVZLYJMXYJHADV-NNTXTVRGSA-N 1 0 234.387 3.604 20 30 BHEDRO C/C=C\C[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000599691491 349245477 /nfs/dbraw/zinc/24/54/77/349245477.db2.gz RVZLYJMXYJHADV-WSNITJDQSA-N 1 0 234.387 3.604 20 30 BHEDRO C/C=C\C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000599691492 349245708 /nfs/dbraw/zinc/24/57/08/349245708.db2.gz RVZLYJMXYJHADV-ZRUQZJFASA-N 1 0 234.387 3.604 20 30 BHEDRO CC[N@@H+](C[C@H](C)c1ccc(C)cc1)C[C@H](C)C#N ZINC000600113881 342671589 /nfs/dbraw/zinc/67/15/89/342671589.db2.gz YGEWFPYHDDUSCY-CABCVRRESA-N 1 0 244.382 3.580 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H](C)c1ccc(C)cc1 ZINC000600113882 342671631 /nfs/dbraw/zinc/67/16/31/342671631.db2.gz YGEWFPYHDDUSCY-GJZGRUSLSA-N 1 0 244.382 3.580 20 30 BHEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)c1ccc(C)cc1 ZINC000600113883 342671493 /nfs/dbraw/zinc/67/14/93/342671493.db2.gz YGEWFPYHDDUSCY-HUUCEWRRSA-N 1 0 244.382 3.580 20 30 BHEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H](C)c1ccc(C)cc1 ZINC000600113884 342671729 /nfs/dbraw/zinc/67/17/29/342671729.db2.gz YGEWFPYHDDUSCY-LSDHHAIUSA-N 1 0 244.382 3.580 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000600147298 342690543 /nfs/dbraw/zinc/69/05/43/342690543.db2.gz LRSIAAFPPKHAFD-CABCVRRESA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@H]1CCCC[C@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000600147300 342690488 /nfs/dbraw/zinc/69/04/88/342690488.db2.gz LRSIAAFPPKHAFD-GJZGRUSLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000600147301 342690425 /nfs/dbraw/zinc/69/04/25/342690425.db2.gz LRSIAAFPPKHAFD-HUUCEWRRSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000600147305 342690378 /nfs/dbraw/zinc/69/03/78/342690378.db2.gz LRSIAAFPPKHAFD-LSDHHAIUSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000600148928 342690995 /nfs/dbraw/zinc/69/09/95/342690995.db2.gz VOMUYLFJMVFCMH-CVEARBPZSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@H]1CCCC[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000600148929 342691103 /nfs/dbraw/zinc/69/11/03/342691103.db2.gz VOMUYLFJMVFCMH-HOTGVXAUSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC(CC#N)CC1 ZINC000600148930 342690938 /nfs/dbraw/zinc/69/09/38/342690938.db2.gz VOMUYLFJMVFCMH-HZPDHXFCSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(CC#N)CC1 ZINC000600148931 342690999 /nfs/dbraw/zinc/69/09/99/342690999.db2.gz VOMUYLFJMVFCMH-JKSUJKDBSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000600161159 342693302 /nfs/dbraw/zinc/69/33/02/342693302.db2.gz JJIVDPPFNMZFRW-FZKCQIBNSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000600161491 342693349 /nfs/dbraw/zinc/69/33/49/342693349.db2.gz JJIVDPPFNMZFRW-JJXSEGSLSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000600161493 342693387 /nfs/dbraw/zinc/69/33/87/342693387.db2.gz JJIVDPPFNMZFRW-JONQDZQNSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@H]1CCCC[C@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000600161495 342693348 /nfs/dbraw/zinc/69/33/48/342693348.db2.gz JJIVDPPFNMZFRW-VGWMRTNUSA-N 1 0 248.414 3.875 20 30 BHEDRO Cc1ccc([C@@H](C)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000600169602 342694781 /nfs/dbraw/zinc/69/47/81/342694781.db2.gz OABMFECPHHHAJR-AWEZNQCLSA-N 1 0 244.382 3.580 20 30 BHEDRO Cc1ccc([C@H](C)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000600169603 342694787 /nfs/dbraw/zinc/69/47/87/342694787.db2.gz OABMFECPHHHAJR-CQSZACIVSA-N 1 0 244.382 3.580 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000600176262 342696542 /nfs/dbraw/zinc/69/65/42/342696542.db2.gz FQGCTZATMUNVMX-ARFHVFGLSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000600176263 342696593 /nfs/dbraw/zinc/69/65/93/342696593.db2.gz FQGCTZATMUNVMX-BZUAXINKSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000600176264 342696544 /nfs/dbraw/zinc/69/65/44/342696544.db2.gz FQGCTZATMUNVMX-OAGGEKHMSA-N 1 0 248.414 3.828 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000600176265 342696477 /nfs/dbraw/zinc/69/64/77/342696477.db2.gz FQGCTZATMUNVMX-XHSDSOJGSA-N 1 0 248.414 3.828 20 30 BHEDRO C/C=C\C[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000600212585 342700576 /nfs/dbraw/zinc/70/05/76/342700576.db2.gz GPSJUEHOXZQRPH-FOSCPCJNSA-N 1 0 248.414 3.995 20 30 BHEDRO C/C=C/C[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000600212586 342700634 /nfs/dbraw/zinc/70/06/34/342700634.db2.gz GPSJUEHOXZQRPH-MBVDDHJVSA-N 1 0 248.414 3.995 20 30 BHEDRO C/C=C/C[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000600212587 342700736 /nfs/dbraw/zinc/70/07/36/342700736.db2.gz GPSJUEHOXZQRPH-RGDDUWESSA-N 1 0 248.414 3.995 20 30 BHEDRO C/C=C\C[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000600212588 342700594 /nfs/dbraw/zinc/70/05/94/342700594.db2.gz GPSJUEHOXZQRPH-XVWMLYKFSA-N 1 0 248.414 3.995 20 30 BHEDRO CC(C)(CCC#N)C[N@@H+]1CCCC2(CC2)CC1 ZINC000600216311 342710438 /nfs/dbraw/zinc/71/04/38/342710438.db2.gz XWIRSEHJUKUJBD-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C=CC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000600679937 344358209 /nfs/dbraw/zinc/35/82/09/344358209.db2.gz JCQMPAABUARHNY-KRWDZBQOSA-N 1 0 241.378 3.962 20 30 BHEDRO C=CC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000600679938 344358053 /nfs/dbraw/zinc/35/80/53/344358053.db2.gz JCQMPAABUARHNY-QGZVFWFLSA-N 1 0 241.378 3.962 20 30 BHEDRO C=CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000600681570 344358719 /nfs/dbraw/zinc/35/87/19/344358719.db2.gz TXJJYFKIRCTZBO-UHFFFAOYSA-N 1 0 235.758 3.738 20 30 BHEDRO C=CC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000600681578 344358457 /nfs/dbraw/zinc/35/84/57/344358457.db2.gz XHDNEQZHIBEESN-GFCCVEGCSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000600681579 344358683 /nfs/dbraw/zinc/35/86/83/344358683.db2.gz XHDNEQZHIBEESN-LBPRGKRZSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000600683174 344358564 /nfs/dbraw/zinc/35/85/64/344358564.db2.gz OLJPDHTZFJEJHZ-GFCCVEGCSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000600683177 344358771 /nfs/dbraw/zinc/35/87/71/344358771.db2.gz OLJPDHTZFJEJHZ-LBPRGKRZSA-N 1 0 233.330 3.785 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000600718347 344362536 /nfs/dbraw/zinc/36/25/36/344362536.db2.gz KFRIIBRYNHHUJF-CYBMUJFWSA-N 1 0 235.758 3.705 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000600718348 344362767 /nfs/dbraw/zinc/36/27/67/344362767.db2.gz KFRIIBRYNHHUJF-ZDUSSCGKSA-N 1 0 235.758 3.705 20 30 BHEDRO Cc1scc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1C ZINC000601123985 346150695 /nfs/dbraw/zinc/15/06/95/346150695.db2.gz AVHMHQRHLJQKPW-JSGCOSHPSA-N 1 0 248.395 3.537 20 30 BHEDRO Cc1ccc(C[NH2+]CC(C)(C)CCC#N)c(F)c1 ZINC000601125784 346151463 /nfs/dbraw/zinc/15/14/63/346151463.db2.gz UXUKFAFTJSWXSU-UHFFFAOYSA-N 1 0 248.345 3.554 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000601143441 346370277 /nfs/dbraw/zinc/37/02/77/346370277.db2.gz DKTMGLAHLIXHEN-UHFFFAOYSA-N 1 0 236.403 3.898 20 30 BHEDRO CCC(C)(C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000601143850 346373640 /nfs/dbraw/zinc/37/36/40/346373640.db2.gz LMJPZRUDFQYMHZ-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC(C)(C)CC[NH2+]CC(C)(C)CCC#N ZINC000601144859 346376787 /nfs/dbraw/zinc/37/67/87/346376787.db2.gz XNOQWTVQACYNAK-UHFFFAOYSA-N 1 0 224.392 3.732 20 30 BHEDRO C[C@@H](CC1CCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000601154407 346488867 /nfs/dbraw/zinc/48/88/67/346488867.db2.gz JPZPSUGHNALKRT-GRTSSRMGSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CC1CCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000601154408 346488838 /nfs/dbraw/zinc/48/88/38/346488838.db2.gz JPZPSUGHNALKRT-LRVUVFPRSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]([NH2+]CCCCC#N)c1cc(C)ccn1 ZINC000601267623 347128987 /nfs/dbraw/zinc/12/89/87/347128987.db2.gz ORLATCHTPXIMPK-AWEZNQCLSA-N 1 0 245.370 3.515 20 30 BHEDRO CCC[C@@H]([NH2+]CCCCC#N)c1cc(C)ccn1 ZINC000601267624 347129118 /nfs/dbraw/zinc/12/91/18/347129118.db2.gz ORLATCHTPXIMPK-CQSZACIVSA-N 1 0 245.370 3.515 20 30 BHEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(C2CCC2)cc1 ZINC000601277377 347140150 /nfs/dbraw/zinc/14/01/50/347140150.db2.gz WANQEGOMOOLJAH-CYBMUJFWSA-N 1 0 242.366 3.908 20 30 BHEDRO C[C@H]([NH2+]CCCC#N)c1ccc(C2CCC2)cc1 ZINC000601277382 347140328 /nfs/dbraw/zinc/14/03/28/347140328.db2.gz WANQEGOMOOLJAH-ZDUSSCGKSA-N 1 0 242.366 3.908 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccc(C#N)c1 ZINC000601288849 369620427 /nfs/dbraw/zinc/62/04/27/369620427.db2.gz DKZLUJRIGXNMTH-DOMZBBRYSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccc(C#N)c1 ZINC000601288850 369619576 /nfs/dbraw/zinc/61/95/76/369619576.db2.gz DKZLUJRIGXNMTH-IUODEOHRSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccc(C#N)c1 ZINC000601288851 369620019 /nfs/dbraw/zinc/62/00/19/369620019.db2.gz DKZLUJRIGXNMTH-SWLSCSKDSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1cccc(C#N)c1 ZINC000601288852 369620048 /nfs/dbraw/zinc/62/00/48/369620048.db2.gz DKZLUJRIGXNMTH-WFASDCNBSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccc(C#N)cc1 ZINC000601289893 369619794 /nfs/dbraw/zinc/61/97/94/369619794.db2.gz VWDAEJLESHQZTL-DOMZBBRYSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(C#N)cc1 ZINC000601289894 369620527 /nfs/dbraw/zinc/62/05/27/369620527.db2.gz VWDAEJLESHQZTL-IUODEOHRSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(C#N)cc1 ZINC000601289895 369619692 /nfs/dbraw/zinc/61/96/92/369619692.db2.gz VWDAEJLESHQZTL-SWLSCSKDSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1ccc(C#N)cc1 ZINC000601289896 369620276 /nfs/dbraw/zinc/62/02/76/369620276.db2.gz VWDAEJLESHQZTL-WFASDCNBSA-N 1 0 240.350 3.542 20 30 BHEDRO Cc1scc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1C ZINC000601292826 347164660 /nfs/dbraw/zinc/16/46/60/347164660.db2.gz UOSTTYLRHWPIJU-GXTWGEPZSA-N 1 0 248.395 3.537 20 30 BHEDRO Cc1scc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1C ZINC000601292827 347164948 /nfs/dbraw/zinc/16/49/48/347164948.db2.gz UOSTTYLRHWPIJU-JSGCOSHPSA-N 1 0 248.395 3.537 20 30 BHEDRO Cc1scc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1C ZINC000601292828 347164849 /nfs/dbraw/zinc/16/48/49/347164849.db2.gz UOSTTYLRHWPIJU-OCCSQVGLSA-N 1 0 248.395 3.537 20 30 BHEDRO Cc1scc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1C ZINC000601292829 347164761 /nfs/dbraw/zinc/16/47/61/347164761.db2.gz UOSTTYLRHWPIJU-TZMCWYRMSA-N 1 0 248.395 3.537 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000601292955 347164651 /nfs/dbraw/zinc/16/46/51/347164651.db2.gz ZORLWSAIKFPOLP-KBPBESRZSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000601292956 347165024 /nfs/dbraw/zinc/16/50/24/347165024.db2.gz ZORLWSAIKFPOLP-KGLIPLIRSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000601292957 347164807 /nfs/dbraw/zinc/16/48/07/347164807.db2.gz ZORLWSAIKFPOLP-UONOGXRCSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000601292958 347165014 /nfs/dbraw/zinc/16/50/14/347165014.db2.gz ZORLWSAIKFPOLP-ZIAGYGMSSA-N 1 0 234.387 3.651 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000601303831 347179988 /nfs/dbraw/zinc/17/99/88/347179988.db2.gz IBOBNKCFVJVMET-KFWWJZLASA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000601303835 347180268 /nfs/dbraw/zinc/18/02/68/347180268.db2.gz IBOBNKCFVJVMET-RBSFLKMASA-N 1 0 242.366 3.728 20 30 BHEDRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602424945 349532406 /nfs/dbraw/zinc/53/24/06/349532406.db2.gz NJVQFDFCYBREKP-HNNXBMFYSA-N 1 0 244.382 3.837 20 30 BHEDRO CC(C)[N@@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000602424950 349532585 /nfs/dbraw/zinc/53/25/85/349532585.db2.gz NJVQFDFCYBREKP-OAHLLOKOSA-N 1 0 244.382 3.837 20 30 BHEDRO CC(C)C[NH+](CC(C)C)C[C@@H](C)CCC#N ZINC000602427972 349533188 /nfs/dbraw/zinc/53/31/88/349533188.db2.gz MGRMMQXJYXYECX-AWEZNQCLSA-N 1 0 224.392 3.540 20 30 BHEDRO CC(C)C[NH+](CC(C)C)C[C@H](C)CCC#N ZINC000602427983 349533380 /nfs/dbraw/zinc/53/33/80/349533380.db2.gz MGRMMQXJYXYECX-CQSZACIVSA-N 1 0 224.392 3.540 20 30 BHEDRO CC[N@H+](C[C@H](C)CCC#N)C1CCCCC1 ZINC000602428510 349533324 /nfs/dbraw/zinc/53/33/24/349533324.db2.gz PNMHYAVOLYUSDD-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[N@H+](C[C@@H](C)CCC#N)C1CCCCC1 ZINC000602428548 349533076 /nfs/dbraw/zinc/53/30/76/349533076.db2.gz PNMHYAVOLYUSDD-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)C1CCCCCC1 ZINC000602429974 349534024 /nfs/dbraw/zinc/53/40/24/349534024.db2.gz JEUVEIHWKSIKTC-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+](C)C1CCCCCC1 ZINC000602429975 349534364 /nfs/dbraw/zinc/53/43/64/349534364.db2.gz JEUVEIHWKSIKTC-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000602431539 349536090 /nfs/dbraw/zinc/53/60/90/349536090.db2.gz SRHXXMHNNUXRGQ-CHWSQXEVSA-N 1 0 248.345 3.758 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000602431543 349535646 /nfs/dbraw/zinc/53/56/46/349535646.db2.gz SRHXXMHNNUXRGQ-OLZOCXBDSA-N 1 0 248.345 3.758 20 30 BHEDRO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602431544 349535762 /nfs/dbraw/zinc/53/57/62/349535762.db2.gz SRHXXMHNNUXRGQ-QWHCGFSZSA-N 1 0 248.345 3.758 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000602431545 349536130 /nfs/dbraw/zinc/53/61/30/349536130.db2.gz SRHXXMHNNUXRGQ-STQMWFEESA-N 1 0 248.345 3.758 20 30 BHEDRO CCC[N@@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602431809 349535609 /nfs/dbraw/zinc/53/56/09/349535609.db2.gz GWWBIXVLWMJGQU-HNNXBMFYSA-N 1 0 244.382 3.838 20 30 BHEDRO CCC[N@@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000602431810 349536888 /nfs/dbraw/zinc/53/68/88/349536888.db2.gz GWWBIXVLWMJGQU-OAHLLOKOSA-N 1 0 244.382 3.838 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000602432011 349536831 /nfs/dbraw/zinc/53/68/31/349536831.db2.gz HOJPCNUFKOSFOB-CHWSQXEVSA-N 1 0 248.395 3.825 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000602432030 349536624 /nfs/dbraw/zinc/53/66/24/349536624.db2.gz HOJPCNUFKOSFOB-OLZOCXBDSA-N 1 0 248.395 3.825 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000602432036 349536673 /nfs/dbraw/zinc/53/66/73/349536673.db2.gz HOJPCNUFKOSFOB-QWHCGFSZSA-N 1 0 248.395 3.825 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000602432037 349536928 /nfs/dbraw/zinc/53/69/28/349536928.db2.gz HOJPCNUFKOSFOB-STQMWFEESA-N 1 0 248.395 3.825 20 30 BHEDRO CC(C)[N@@H+](C[C@@H](C)CCC#N)C1CCCCC1 ZINC000602432987 349536706 /nfs/dbraw/zinc/53/67/06/349536706.db2.gz JELFCBPUVMFYNM-AWEZNQCLSA-N 1 0 236.403 3.969 20 30 BHEDRO CC(C)[N@@H+](C[C@H](C)CCC#N)C1CCCCC1 ZINC000602432988 349537102 /nfs/dbraw/zinc/53/71/02/349537102.db2.gz JELFCBPUVMFYNM-CQSZACIVSA-N 1 0 236.403 3.969 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000602433970 349537959 /nfs/dbraw/zinc/53/79/59/349537959.db2.gz VEUXVXVQVUAOSB-KBPBESRZSA-N 1 0 230.355 3.619 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000602433975 349538015 /nfs/dbraw/zinc/53/80/15/349538015.db2.gz VEUXVXVQVUAOSB-KGLIPLIRSA-N 1 0 230.355 3.619 20 30 BHEDRO C[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602433976 349537698 /nfs/dbraw/zinc/53/76/98/349537698.db2.gz VEUXVXVQVUAOSB-UONOGXRCSA-N 1 0 230.355 3.619 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000602434182 349537511 /nfs/dbraw/zinc/53/75/11/349537511.db2.gz NQNYDSFIZFBKJM-GDBMZVCRSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000602434185 349537665 /nfs/dbraw/zinc/53/76/65/349537665.db2.gz NQNYDSFIZFBKJM-GOEBONIOSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000602434186 349537938 /nfs/dbraw/zinc/53/79/38/349537938.db2.gz NQNYDSFIZFBKJM-HOCLYGCPSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000602434187 349537950 /nfs/dbraw/zinc/53/79/50/349537950.db2.gz NQNYDSFIZFBKJM-ZBFHGGJFSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)C1CC1 ZINC000602434515 349537588 /nfs/dbraw/zinc/53/75/88/349537588.db2.gz FSHKWIMVFSDFLN-AWEZNQCLSA-N 1 0 242.366 3.591 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000602434516 349538026 /nfs/dbraw/zinc/53/80/26/349538026.db2.gz VEUXVXVQVUAOSB-ZIAGYGMSSA-N 1 0 230.355 3.619 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)C1CC1 ZINC000602434524 349537691 /nfs/dbraw/zinc/53/76/91/349537691.db2.gz FSHKWIMVFSDFLN-CQSZACIVSA-N 1 0 242.366 3.591 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000602434830 349538005 /nfs/dbraw/zinc/53/80/05/349538005.db2.gz FPXAQPVOMCPFFP-NEPJUHHUSA-N 1 0 248.395 3.607 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000602434852 349537530 /nfs/dbraw/zinc/53/75/30/349537530.db2.gz FPXAQPVOMCPFFP-NWDGAFQWSA-N 1 0 248.395 3.607 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000602434853 349537544 /nfs/dbraw/zinc/53/75/44/349537544.db2.gz FPXAQPVOMCPFFP-RYUDHWBXSA-N 1 0 248.395 3.607 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000602434854 349538596 /nfs/dbraw/zinc/53/85/96/349538596.db2.gz FPXAQPVOMCPFFP-VXGBXAGGSA-N 1 0 248.395 3.607 20 30 BHEDRO CCc1ccc(C[N@H+](C)C[C@@H](C)CCC#N)cc1 ZINC000602434960 349538727 /nfs/dbraw/zinc/53/87/27/349538727.db2.gz RDSCNKZPHRTKAI-AWEZNQCLSA-N 1 0 244.382 3.621 20 30 BHEDRO CCc1ccc(C[N@H+](C)C[C@H](C)CCC#N)cc1 ZINC000602434961 349538687 /nfs/dbraw/zinc/53/86/87/349538687.db2.gz RDSCNKZPHRTKAI-CQSZACIVSA-N 1 0 244.382 3.621 20 30 BHEDRO CC[N@@H+](Cc1cccs1)C[C@H](C)CCC#N ZINC000602434976 349538673 /nfs/dbraw/zinc/53/86/73/349538673.db2.gz YJMRCSYBVCYLNN-GFCCVEGCSA-N 1 0 236.384 3.510 20 30 BHEDRO CC[N@@H+](Cc1cccs1)C[C@@H](C)CCC#N ZINC000602434982 349539010 /nfs/dbraw/zinc/53/90/10/349539010.db2.gz YJMRCSYBVCYLNN-LBPRGKRZSA-N 1 0 236.384 3.510 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)C[C@H](C)CCC#N ZINC000602434990 349539105 /nfs/dbraw/zinc/53/91/05/349539105.db2.gz YMQLTKWJLRNUMX-CYBMUJFWSA-N 1 0 248.395 3.676 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](C)CCC#N ZINC000602434991 349538756 /nfs/dbraw/zinc/53/87/56/349538756.db2.gz YMQLTKWJLRNUMX-ZDUSSCGKSA-N 1 0 248.395 3.676 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000602437473 349524521 /nfs/dbraw/zinc/52/45/21/349524521.db2.gz YQDZXXYDJVRYDE-BBRMVZONSA-N 1 0 242.366 3.546 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000602437474 349524710 /nfs/dbraw/zinc/52/47/10/349524710.db2.gz YQDZXXYDJVRYDE-CJNGLKHVSA-N 1 0 242.366 3.546 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000602437475 349524153 /nfs/dbraw/zinc/52/41/53/349524153.db2.gz YQDZXXYDJVRYDE-CZUORRHYSA-N 1 0 242.366 3.546 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000602437476 349524530 /nfs/dbraw/zinc/52/45/30/349524530.db2.gz YQDZXXYDJVRYDE-XJKSGUPXSA-N 1 0 242.366 3.546 20 30 BHEDRO Cc1ccc([C@H](C)[N@@H+](C)C[C@H](C)CCC#N)cc1 ZINC000602437825 349524093 /nfs/dbraw/zinc/52/40/93/349524093.db2.gz DGEQJIFGSFMQIH-CABCVRRESA-N 1 0 244.382 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ZXYUQUUNYFZNPL-HZPDHXFCSA-N 1 0 246.398 3.749 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000602474757 349562585 /nfs/dbraw/zinc/56/25/85/349562585.db2.gz ZXYUQUUNYFZNPL-JKSUJKDBSA-N 1 0 246.398 3.749 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000602474975 349563633 /nfs/dbraw/zinc/56/36/33/349563633.db2.gz KCBKEDWCIGGDLW-AWEZNQCLSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000602474977 349563399 /nfs/dbraw/zinc/56/33/99/349563399.db2.gz KCBKEDWCIGGDLW-CQSZACIVSA-N 1 0 234.387 3.582 20 30 BHEDRO C=CCCCCC[N@@H+](C)C[C@@H](C)CCC#N ZINC000602476680 349563320 /nfs/dbraw/zinc/56/33/20/349563320.db2.gz ZEBYUXDQTBSNJW-AWEZNQCLSA-N 1 0 222.376 3.604 20 30 BHEDRO C=CCCCCC[N@@H+](C)C[C@H](C)CCC#N ZINC000602476681 349562826 /nfs/dbraw/zinc/56/28/26/349562826.db2.gz ZEBYUXDQTBSNJW-CQSZACIVSA-N 1 0 222.376 3.604 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000602483614 349566103 /nfs/dbraw/zinc/56/61/03/349566103.db2.gz NCBDXGNCWLPTQS-FMKPAKJESA-N 1 0 242.366 3.619 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000602483616 349566522 /nfs/dbraw/zinc/56/65/22/349566522.db2.gz NCBDXGNCWLPTQS-IIAWOOMASA-N 1 0 242.366 3.619 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000602483617 349566225 /nfs/dbraw/zinc/56/62/25/349566225.db2.gz NCBDXGNCWLPTQS-IJEWVQPXSA-N 1 0 242.366 3.619 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000602483618 349566399 /nfs/dbraw/zinc/56/63/99/349566399.db2.gz NCBDXGNCWLPTQS-YCPHGPKFSA-N 1 0 242.366 3.619 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC12CCCCC2 ZINC000602483862 349566279 /nfs/dbraw/zinc/56/62/79/349566279.db2.gz JFTMESRBQVDXBQ-AWEZNQCLSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCCC12CCCCC2 ZINC000602483864 349566548 /nfs/dbraw/zinc/56/65/48/349566548.db2.gz JFTMESRBQVDXBQ-CQSZACIVSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000602485011 349567475 /nfs/dbraw/zinc/56/74/75/349567475.db2.gz MBZKOXVJIKXLDX-DOMZBBRYSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000602485012 349567321 /nfs/dbraw/zinc/56/73/21/349567321.db2.gz MBZKOXVJIKXLDX-IUODEOHRSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000602485013 349567500 /nfs/dbraw/zinc/56/75/00/349567500.db2.gz MBZKOXVJIKXLDX-SWLSCSKDSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000602485014 349567506 /nfs/dbraw/zinc/56/75/06/349567506.db2.gz MBZKOXVJIKXLDX-WFASDCNBSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H](CCC#N)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000602492269 349572177 /nfs/dbraw/zinc/57/21/77/349572177.db2.gz FQSQHNPUWUPMPG-CYBMUJFWSA-N 1 0 234.387 3.604 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000602492270 349571788 /nfs/dbraw/zinc/57/17/88/349571788.db2.gz FQSQHNPUWUPMPG-ZDUSSCGKSA-N 1 0 234.387 3.604 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602498315 349559921 /nfs/dbraw/zinc/55/99/21/349559921.db2.gz HVQBWJBUDSEXFH-GXTWGEPZSA-N 1 0 230.355 3.586 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602498318 349559546 /nfs/dbraw/zinc/55/95/46/349559546.db2.gz HVQBWJBUDSEXFH-TZMCWYRMSA-N 1 0 230.355 3.586 20 30 BHEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccc(C)cc1 ZINC000602500487 349560620 /nfs/dbraw/zinc/56/06/20/349560620.db2.gz ZLNFNSQDJXLIGW-GDBMZVCRSA-N 1 0 244.382 3.976 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(C)cc1 ZINC000602500489 349560502 /nfs/dbraw/zinc/56/05/02/349560502.db2.gz ZLNFNSQDJXLIGW-GOEBONIOSA-N 1 0 244.382 3.976 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(C)cc1 ZINC000602500491 349560665 /nfs/dbraw/zinc/56/06/65/349560665.db2.gz ZLNFNSQDJXLIGW-HOCLYGCPSA-N 1 0 244.382 3.976 20 30 BHEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)c1ccc(C)cc1 ZINC000602500492 349560440 /nfs/dbraw/zinc/56/04/40/349560440.db2.gz ZLNFNSQDJXLIGW-ZBFHGGJFSA-N 1 0 244.382 3.976 20 30 BHEDRO Cc1ccccc1[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602500500 349560421 /nfs/dbraw/zinc/56/04/21/349560421.db2.gz ZOODLQSYJAXNJC-NFOMZHRRSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602500502 349560494 /nfs/dbraw/zinc/56/04/94/349560494.db2.gz ZOODLQSYJAXNJC-WLYUNCDWSA-N 1 0 242.366 3.728 20 30 BHEDRO CCCC[C@H](CC)C[NH2+]C[C@@H](C)CCC#N ZINC000602501770 349561506 /nfs/dbraw/zinc/56/15/06/349561506.db2.gz FQECCJLMMFCSNR-KBPBESRZSA-N 1 0 224.392 3.732 20 30 BHEDRO CCCC[C@H](CC)C[NH2+]C[C@H](C)CCC#N ZINC000602501771 349561606 /nfs/dbraw/zinc/56/16/06/349561606.db2.gz FQECCJLMMFCSNR-KGLIPLIRSA-N 1 0 224.392 3.732 20 30 BHEDRO CCCC[C@@H](CC)C[NH2+]C[C@@H](C)CCC#N ZINC000602501772 349561504 /nfs/dbraw/zinc/56/15/04/349561504.db2.gz FQECCJLMMFCSNR-UONOGXRCSA-N 1 0 224.392 3.732 20 30 BHEDRO CCCC[C@@H](CC)C[NH2+]C[C@H](C)CCC#N ZINC000602501773 349561376 /nfs/dbraw/zinc/56/13/76/349561376.db2.gz FQECCJLMMFCSNR-ZIAGYGMSSA-N 1 0 224.392 3.732 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602502138 349561179 /nfs/dbraw/zinc/56/11/79/349561179.db2.gz DPEJVCKAWYOWIS-NFOMZHRRSA-N 1 0 236.403 3.873 20 30 BHEDRO CC(C)CCC[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602502140 349561389 /nfs/dbraw/zinc/56/13/89/349561389.db2.gz DPEJVCKAWYOWIS-WLYUNCDWSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCc2ccccc21 ZINC000602502282 349561582 /nfs/dbraw/zinc/56/15/82/349561582.db2.gz GHVGEJWQGUHCIO-BBRMVZONSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCc2ccccc21 ZINC000602502283 349561604 /nfs/dbraw/zinc/56/16/04/349561604.db2.gz GHVGEJWQGUHCIO-CJNGLKHVSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000602502284 349561210 /nfs/dbraw/zinc/56/12/10/349561210.db2.gz GHVGEJWQGUHCIO-CZUORRHYSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000602502285 349561410 /nfs/dbraw/zinc/56/14/10/349561410.db2.gz GHVGEJWQGUHCIO-XJKSGUPXSA-N 1 0 242.366 3.593 20 30 BHEDRO CC(C)[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602502752 349564856 /nfs/dbraw/zinc/56/48/56/349564856.db2.gz NEBMKVKIZMZZOE-GDBMZVCRSA-N 1 0 244.382 3.913 20 30 BHEDRO CC(C)[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602502757 349564222 /nfs/dbraw/zinc/56/42/22/349564222.db2.gz NEBMKVKIZMZZOE-GOEBONIOSA-N 1 0 244.382 3.913 20 30 BHEDRO CC(C)[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602502759 349564300 /nfs/dbraw/zinc/56/43/00/349564300.db2.gz NEBMKVKIZMZZOE-HOCLYGCPSA-N 1 0 244.382 3.913 20 30 BHEDRO CC(C)[C@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602502760 398074512 /nfs/dbraw/zinc/07/45/12/398074512.db2.gz NEBMKVKIZMZZOE-ZBFHGGJFSA-N 1 0 244.382 3.913 20 30 BHEDRO N#CC1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000602503323 349580994 /nfs/dbraw/zinc/58/09/94/349580994.db2.gz MGMIANHBBBOTKD-UHFFFAOYSA-N 1 0 248.757 3.512 20 30 BHEDRO CC[C@@H](C[NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602503638 349580978 /nfs/dbraw/zinc/58/09/78/349580978.db2.gz NOLJWWYGUDYSBU-CABCVRRESA-N 1 0 244.382 3.710 20 30 BHEDRO CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602503639 349580843 /nfs/dbraw/zinc/58/08/43/349580843.db2.gz NOLJWWYGUDYSBU-GJZGRUSLSA-N 1 0 244.382 3.710 20 30 BHEDRO CC[C@H](C[NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602503640 349581158 /nfs/dbraw/zinc/58/11/58/349581158.db2.gz NOLJWWYGUDYSBU-HUUCEWRRSA-N 1 0 244.382 3.710 20 30 BHEDRO CC[C@H](C[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602503641 349581114 /nfs/dbraw/zinc/58/11/14/349581114.db2.gz NOLJWWYGUDYSBU-LSDHHAIUSA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000602503816 349581324 /nfs/dbraw/zinc/58/13/24/349581324.db2.gz RRINWHRIFCPZOZ-BBRMVZONSA-N 1 0 242.366 3.667 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000602503817 349581086 /nfs/dbraw/zinc/58/10/86/349581086.db2.gz RRINWHRIFCPZOZ-CJNGLKHVSA-N 1 0 242.366 3.667 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000602503818 349581403 /nfs/dbraw/zinc/58/14/03/349581403.db2.gz RRINWHRIFCPZOZ-CZUORRHYSA-N 1 0 242.366 3.667 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000602503819 349581221 /nfs/dbraw/zinc/58/12/21/349581221.db2.gz RRINWHRIFCPZOZ-XJKSGUPXSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602504451 349581935 /nfs/dbraw/zinc/58/19/35/349581935.db2.gz QEUZKMYUURSXPR-KBPBESRZSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)CCC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602504452 349582080 /nfs/dbraw/zinc/58/20/80/349582080.db2.gz QEUZKMYUURSXPR-KGLIPLIRSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602504453 349582198 /nfs/dbraw/zinc/58/21/98/349582198.db2.gz QEUZKMYUURSXPR-UONOGXRCSA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)CCC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602504454 349581942 /nfs/dbraw/zinc/58/19/42/349581942.db2.gz QEUZKMYUURSXPR-ZIAGYGMSSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000602504505 349582161 /nfs/dbraw/zinc/58/21/61/349582161.db2.gz RYROCHRSUYMURF-CABCVRRESA-N 1 0 244.382 3.537 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000602504506 349581798 /nfs/dbraw/zinc/58/17/98/349581798.db2.gz RYROCHRSUYMURF-GJZGRUSLSA-N 1 0 244.382 3.537 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CCc1ccccc1 ZINC000602504507 349582072 /nfs/dbraw/zinc/58/20/72/349582072.db2.gz RYROCHRSUYMURF-HUUCEWRRSA-N 1 0 244.382 3.537 20 30 BHEDRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)CCC#N ZINC000602504508 349581760 /nfs/dbraw/zinc/58/17/60/349581760.db2.gz RYROCHRSUYMURF-LSDHHAIUSA-N 1 0 244.382 3.537 20 30 BHEDRO N#CC1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000602505173 349581893 /nfs/dbraw/zinc/58/18/93/349581893.db2.gz UUEVQEOSOYUBGC-UHFFFAOYSA-N 1 0 248.757 3.512 20 30 BHEDRO N#CC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000602505269 349581961 /nfs/dbraw/zinc/58/19/61/349581961.db2.gz YYTQXTUGAXPOIG-UHFFFAOYSA-N 1 0 232.371 3.549 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]CCCCc1ccccc1 ZINC000602505326 349582186 /nfs/dbraw/zinc/58/21/86/349582186.db2.gz ZYPYFOYZYSBWDO-HNNXBMFYSA-N 1 0 244.382 3.539 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]CCCCc1ccccc1 ZINC000602505327 349581751 /nfs/dbraw/zinc/58/17/51/349581751.db2.gz ZYPYFOYZYSBWDO-OAHLLOKOSA-N 1 0 244.382 3.539 20 30 BHEDRO CCCC[C@H](CC)C[NH2+]C1CCC(C#N)CC1 ZINC000602506399 349582518 /nfs/dbraw/zinc/58/25/18/349582518.db2.gz UQGBWOMRZMMOPU-NFOMZHRRSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H](CC)C[NH2+]C1CCC(C#N)CC1 ZINC000602506400 349582653 /nfs/dbraw/zinc/58/26/53/349582653.db2.gz UQGBWOMRZMMOPU-WLYUNCDWSA-N 1 0 236.403 3.875 20 30 BHEDRO N#CC1CCC([NH2+]CCCC2CCCC2)CC1 ZINC000602506579 349582732 /nfs/dbraw/zinc/58/27/32/349582732.db2.gz DMLCMNPEDCADAL-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000602507594 349583474 /nfs/dbraw/zinc/58/34/74/349583474.db2.gz OTNOBWGBTGQFKK-BXUZGUMPSA-N 1 0 248.395 3.729 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000602507609 349583737 /nfs/dbraw/zinc/58/37/37/349583737.db2.gz OTNOBWGBTGQFKK-FZMZJTMJSA-N 1 0 248.395 3.729 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000602507610 349583653 /nfs/dbraw/zinc/58/36/53/349583653.db2.gz OTNOBWGBTGQFKK-RISCZKNCSA-N 1 0 248.395 3.729 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000602507611 349583710 /nfs/dbraw/zinc/58/37/10/349583710.db2.gz OTNOBWGBTGQFKK-SMDDNHRTSA-N 1 0 248.395 3.729 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602510817 349584857 /nfs/dbraw/zinc/58/48/57/349584857.db2.gz OYOSASHPQBTVAF-HXSCFSKGSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602510818 349585044 /nfs/dbraw/zinc/58/50/44/349585044.db2.gz OYOSASHPQBTVAF-JYVUQVBGSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602510819 349585347 /nfs/dbraw/zinc/58/53/47/349585347.db2.gz OYOSASHPQBTVAF-OOJKYFRXSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602510820 349585151 /nfs/dbraw/zinc/58/51/51/349585151.db2.gz OYOSASHPQBTVAF-SHWKFHJASA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)CC(C)(C)C ZINC000602512295 349585823 /nfs/dbraw/zinc/58/58/23/349585823.db2.gz SNPXTHHXADYTFO-GFCCVEGCSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)CC(C)(C)C ZINC000602512296 349586365 /nfs/dbraw/zinc/58/63/65/349586365.db2.gz SNPXTHHXADYTFO-LBPRGKRZSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000602512772 349585960 /nfs/dbraw/zinc/58/59/60/349585960.db2.gz NFFWPDIHGVAWID-FXUDXRNXSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000602512773 349586034 /nfs/dbraw/zinc/58/60/34/349586034.db2.gz NFFWPDIHGVAWID-KLHDSHLOSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000602512776 349585949 /nfs/dbraw/zinc/58/59/49/349585949.db2.gz NFFWPDIHGVAWID-LVQVYYBASA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000602512778 349585806 /nfs/dbraw/zinc/58/58/06/349585806.db2.gz NFFWPDIHGVAWID-QKPAOTATSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602518048 385798890 /nfs/dbraw/zinc/79/88/90/385798890.db2.gz LTTDFWHSKLXQSX-UHFFFAOYSA-N 1 0 234.387 3.627 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602519522 349573777 /nfs/dbraw/zinc/57/37/77/349573777.db2.gz ZPZYNFJTZPBWKF-HLIUYOAVSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602519523 349574067 /nfs/dbraw/zinc/57/40/67/349574067.db2.gz ZPZYNFJTZPBWKF-VQCLRJIVSA-N 1 0 242.366 3.728 20 30 BHEDRO CCCC1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602519865 349573829 /nfs/dbraw/zinc/57/38/29/349573829.db2.gz CAZCPMNJWPSOIF-NFOMZHRRSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602519866 349574380 /nfs/dbraw/zinc/57/43/80/349574380.db2.gz CAZCPMNJWPSOIF-WLYUNCDWSA-N 1 0 236.403 3.875 20 30 BHEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](C)CCC#N ZINC000602519992 349574471 /nfs/dbraw/zinc/57/44/71/349574471.db2.gz COQDLHZQBASKDM-BBRMVZONSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](C)CCC#N ZINC000602519994 349573787 /nfs/dbraw/zinc/57/37/87/349573787.db2.gz COQDLHZQBASKDM-CJNGLKHVSA-N 1 0 242.366 3.512 20 30 BHEDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602520115 349575134 /nfs/dbraw/zinc/57/51/34/349575134.db2.gz DRTLZFABLQPVJM-AWEZNQCLSA-N 1 0 244.382 3.839 20 30 BHEDRO CC(C)c1ccc(C[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602520116 349574817 /nfs/dbraw/zinc/57/48/17/349574817.db2.gz DRTLZFABLQPVJM-CQSZACIVSA-N 1 0 244.382 3.839 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602523460 349576683 /nfs/dbraw/zinc/57/66/83/349576683.db2.gz CVDSUPLFZUMIAZ-DZGCQCFKSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602523461 349576662 /nfs/dbraw/zinc/57/66/62/349576662.db2.gz CVDSUPLFZUMIAZ-HIFRSBDPSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602523462 349576931 /nfs/dbraw/zinc/57/69/31/349576931.db2.gz CVDSUPLFZUMIAZ-UKRRQHHQSA-N 1 0 230.355 3.667 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602523463 349576933 /nfs/dbraw/zinc/57/69/33/349576933.db2.gz CVDSUPLFZUMIAZ-ZFWWWQNUSA-N 1 0 230.355 3.667 20 30 BHEDRO Cc1cc(C)c(C[NH2+]C[C@H](C)CCC#N)c(C)c1 ZINC000602524643 349576943 /nfs/dbraw/zinc/57/69/43/349576943.db2.gz OFCXFQPYERKTFC-GFCCVEGCSA-N 1 0 244.382 3.641 20 30 BHEDRO Cc1cc(C)c(C[NH2+]C[C@@H](C)CCC#N)c(C)c1 ZINC000602524644 349576909 /nfs/dbraw/zinc/57/69/09/349576909.db2.gz OFCXFQPYERKTFC-LBPRGKRZSA-N 1 0 244.382 3.641 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCCCC1 ZINC000602525611 349577868 /nfs/dbraw/zinc/57/78/68/349577868.db2.gz GRPANHCWZBTWNW-DZGCQCFKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)C1CCCCC1 ZINC000602525612 349577876 /nfs/dbraw/zinc/57/78/76/349577876.db2.gz GRPANHCWZBTWNW-HIFRSBDPSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)C1CCCCC1 ZINC000602525613 349577776 /nfs/dbraw/zinc/57/77/76/349577776.db2.gz GRPANHCWZBTWNW-UKRRQHHQSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)C1CCCCC1 ZINC000602525615 349577631 /nfs/dbraw/zinc/57/76/31/349577631.db2.gz GRPANHCWZBTWNW-ZFWWWQNUSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H](C[NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602527209 349578687 /nfs/dbraw/zinc/57/86/87/349578687.db2.gz HVLKISOPESYMLQ-HLIUYOAVSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](C[NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602527211 349578125 /nfs/dbraw/zinc/57/81/25/349578125.db2.gz HVLKISOPESYMLQ-VQCLRJIVSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000602527460 349578387 /nfs/dbraw/zinc/57/83/87/349578387.db2.gz QXYYOSOMYWKZKI-CABCVRRESA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000602527461 349578611 /nfs/dbraw/zinc/57/86/11/349578611.db2.gz QXYYOSOMYWKZKI-GJZGRUSLSA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000602527463 349578161 /nfs/dbraw/zinc/57/81/61/349578161.db2.gz QXYYOSOMYWKZKI-HUUCEWRRSA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@H](CC[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602527465 349578521 /nfs/dbraw/zinc/57/85/21/349578521.db2.gz QXYYOSOMYWKZKI-LSDHHAIUSA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1CCCCC1 ZINC000602531648 349580531 /nfs/dbraw/zinc/58/05/31/349580531.db2.gz ZFBDJOIJOLQAEZ-KBPBESRZSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C[C@H](C)C1CCCCC1 ZINC000602531649 349580460 /nfs/dbraw/zinc/58/04/60/349580460.db2.gz ZFBDJOIJOLQAEZ-KGLIPLIRSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](C)C1CCCCC1 ZINC000602531651 349580227 /nfs/dbraw/zinc/58/02/27/349580227.db2.gz ZFBDJOIJOLQAEZ-UONOGXRCSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](C)C1CCCCC1 ZINC000602531652 349580501 /nfs/dbraw/zinc/58/05/01/349580501.db2.gz ZFBDJOIJOLQAEZ-ZIAGYGMSSA-N 1 0 236.403 3.732 20 30 BHEDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CCC#N ZINC000602531811 349580471 /nfs/dbraw/zinc/58/04/71/349580471.db2.gz KYLRFFGLOZFVAV-GDBMZVCRSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CCC#N ZINC000602531812 349580047 /nfs/dbraw/zinc/58/00/47/349580047.db2.gz KYLRFFGLOZFVAV-GOEBONIOSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CCC#N ZINC000602531813 349580103 /nfs/dbraw/zinc/58/01/03/349580103.db2.gz KYLRFFGLOZFVAV-HOCLYGCPSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CCC#N ZINC000602531814 349580295 /nfs/dbraw/zinc/58/02/95/349580295.db2.gz KYLRFFGLOZFVAV-ZBFHGGJFSA-N 1 0 244.382 3.537 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C1(c2ccccc2)CCC1 ZINC000602533900 349602132 /nfs/dbraw/zinc/60/21/32/349602132.db2.gz QNSKIGBLCXOMJX-AWEZNQCLSA-N 1 0 242.366 3.595 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C1(c2ccccc2)CCC1 ZINC000602533902 349602469 /nfs/dbraw/zinc/60/24/69/349602469.db2.gz QNSKIGBLCXOMJX-CQSZACIVSA-N 1 0 242.366 3.595 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602535017 349602062 /nfs/dbraw/zinc/60/20/62/349602062.db2.gz LGCDUWGHSADZRH-KFWWJZLASA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602535018 349602137 /nfs/dbraw/zinc/60/21/37/349602137.db2.gz LGCDUWGHSADZRH-RBSFLKMASA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602535019 349602281 /nfs/dbraw/zinc/60/22/81/349602281.db2.gz LGCDUWGHSADZRH-RRFJBIMHSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602535020 349602325 /nfs/dbraw/zinc/60/23/25/349602325.db2.gz LGCDUWGHSADZRH-ZNMIVQPWSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602535117 349602384 /nfs/dbraw/zinc/60/23/84/349602384.db2.gz NGOJTVZYZZOXEX-CKUJCDMFSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602535118 349602415 /nfs/dbraw/zinc/60/24/15/349602415.db2.gz NGOJTVZYZZOXEX-FJBKBRRZSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602535120 349602089 /nfs/dbraw/zinc/60/20/89/349602089.db2.gz NGOJTVZYZZOXEX-QDIHITRGSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602535121 349602203 /nfs/dbraw/zinc/60/22/03/349602203.db2.gz NGOJTVZYZZOXEX-SSHXOBKSSA-N 1 0 248.414 3.873 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602535616 349602883 /nfs/dbraw/zinc/60/28/83/349602883.db2.gz QTHQBHJNTQQVPJ-KFWWJZLASA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602535618 349603139 /nfs/dbraw/zinc/60/31/39/349603139.db2.gz QTHQBHJNTQQVPJ-RBSFLKMASA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602535619 349602879 /nfs/dbraw/zinc/60/28/79/349602879.db2.gz QTHQBHJNTQQVPJ-RRFJBIMHSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602535620 349603042 /nfs/dbraw/zinc/60/30/42/349603042.db2.gz QTHQBHJNTQQVPJ-ZNMIVQPWSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602535779 349603054 /nfs/dbraw/zinc/60/30/54/349603054.db2.gz SJDPIBQRHLWTQD-ILXRZTDVSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602535780 349602995 /nfs/dbraw/zinc/60/29/95/349602995.db2.gz SJDPIBQRHLWTQD-KFWWJZLASA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602535781 349602978 /nfs/dbraw/zinc/60/29/78/349602978.db2.gz SJDPIBQRHLWTQD-QLFBSQMISA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602535782 349603062 /nfs/dbraw/zinc/60/30/62/349603062.db2.gz SJDPIBQRHLWTQD-RBSFLKMASA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]CCCCC(C)(C)C ZINC000602537543 349603974 /nfs/dbraw/zinc/60/39/74/349603974.db2.gz FJEHOBSYOPEPEH-CYBMUJFWSA-N 1 0 224.392 3.732 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]CCCCC(C)(C)C ZINC000602537544 349603988 /nfs/dbraw/zinc/60/39/88/349603988.db2.gz FJEHOBSYOPEPEH-ZDUSSCGKSA-N 1 0 224.392 3.732 20 30 BHEDRO CC(C)(C)CCCC[NH2+]C1CCC(C#N)CC1 ZINC000602537546 349603694 /nfs/dbraw/zinc/60/36/94/349603694.db2.gz FKQYSPLVRRAWBT-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCCCC#N)CC1 ZINC000602538280 349604784 /nfs/dbraw/zinc/60/47/84/349604784.db2.gz BWKOBHUYFIPCNZ-CABCVRRESA-N 1 0 234.387 3.795 20 30 BHEDRO CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCCCC#N)CC1 ZINC000602538281 349604525 /nfs/dbraw/zinc/60/45/25/349604525.db2.gz BWKOBHUYFIPCNZ-GJZGRUSLSA-N 1 0 234.387 3.795 20 30 BHEDRO CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCCCC#N)CC1 ZINC000602538282 349604812 /nfs/dbraw/zinc/60/48/12/349604812.db2.gz BWKOBHUYFIPCNZ-HUUCEWRRSA-N 1 0 234.387 3.795 20 30 BHEDRO CC1=C(C)C[C@H]([C@H](C)[NH2+]CCCCC#N)CC1 ZINC000602538284 349604744 /nfs/dbraw/zinc/60/47/44/349604744.db2.gz BWKOBHUYFIPCNZ-LSDHHAIUSA-N 1 0 234.387 3.795 20 30 BHEDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)CCC#N ZINC000602539059 349604826 /nfs/dbraw/zinc/60/48/26/349604826.db2.gz AVCDJQJBBZUILY-BLLLJJGKSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)CCC#N ZINC000602539061 349604531 /nfs/dbraw/zinc/60/45/31/349604531.db2.gz AVCDJQJBBZUILY-LRDDRELGSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)CCC#N ZINC000602539063 349604749 /nfs/dbraw/zinc/60/47/49/349604749.db2.gz AVCDJQJBBZUILY-MLGOLLRUSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)CCC#N ZINC000602539065 349604349 /nfs/dbraw/zinc/60/43/49/349604349.db2.gz AVCDJQJBBZUILY-WBMJQRKESA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CCC#N)CC2 ZINC000602539721 349605523 /nfs/dbraw/zinc/60/55/23/349605523.db2.gz JCSUWMHQNLTDJG-BBRMVZONSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CCC#N)CC2 ZINC000602539722 349605251 /nfs/dbraw/zinc/60/52/51/349605251.db2.gz JCSUWMHQNLTDJG-CJNGLKHVSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CCC#N)CC2 ZINC000602539723 349605488 /nfs/dbraw/zinc/60/54/88/349605488.db2.gz JCSUWMHQNLTDJG-CZUORRHYSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CCC#N)CC2 ZINC000602539724 349605242 /nfs/dbraw/zinc/60/52/42/349605242.db2.gz JCSUWMHQNLTDJG-XJKSGUPXSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](C)CCC#N)c1 ZINC000602540193 349605648 /nfs/dbraw/zinc/60/56/48/349605648.db2.gz XDJKKJMIFXCJEZ-DOMZBBRYSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](C)CCC#N)c1 ZINC000602540194 349605690 /nfs/dbraw/zinc/60/56/90/349605690.db2.gz XDJKKJMIFXCJEZ-IUODEOHRSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602540195 349605494 /nfs/dbraw/zinc/60/54/94/349605494.db2.gz XDJKKJMIFXCJEZ-SWLSCSKDSA-N 1 0 244.382 3.894 20 30 BHEDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602540196 349605636 /nfs/dbraw/zinc/60/56/36/349605636.db2.gz XDJKKJMIFXCJEZ-WFASDCNBSA-N 1 0 244.382 3.894 20 30 BHEDRO N#CCCCC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000602541223 349606036 /nfs/dbraw/zinc/60/60/36/349606036.db2.gz OKJIEAAXRZRGST-UHFFFAOYSA-N 1 0 232.371 3.693 20 30 BHEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602544019 349588119 /nfs/dbraw/zinc/58/81/19/349588119.db2.gz HDFHDUFTIZOWSO-BHDPWAOGSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602544020 349587804 /nfs/dbraw/zinc/58/78/04/349587804.db2.gz HDFHDUFTIZOWSO-GRAKBVBRSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602544021 349588112 /nfs/dbraw/zinc/58/81/12/349588112.db2.gz HDFHDUFTIZOWSO-GYTBAZASSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602544022 349588907 /nfs/dbraw/zinc/58/89/07/349588907.db2.gz HDFHDUFTIZOWSO-KNIAUWFNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@H]1CCC[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602544071 349588855 /nfs/dbraw/zinc/58/88/55/349588855.db2.gz IRAYZQMIKDVLCF-ILXRZTDVSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602544072 349588732 /nfs/dbraw/zinc/58/87/32/349588732.db2.gz IRAYZQMIKDVLCF-KFWWJZLASA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602544073 349588878 /nfs/dbraw/zinc/58/88/78/349588878.db2.gz IRAYZQMIKDVLCF-QLFBSQMISA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602544074 349588926 /nfs/dbraw/zinc/58/89/26/349588926.db2.gz IRAYZQMIKDVLCF-RBSFLKMASA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]1CCC[C@@H](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544632 349588932 /nfs/dbraw/zinc/58/89/32/349588932.db2.gz INVFZIFBVBBAFI-FXQLRMTLSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]1CCC[C@H](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544633 349588902 /nfs/dbraw/zinc/58/89/02/349588902.db2.gz INVFZIFBVBBAFI-QRNKSROTSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCC[C@@H](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544634 349588843 /nfs/dbraw/zinc/58/88/43/349588843.db2.gz INVFZIFBVBBAFI-QVOMUQBLSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCC[C@H](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544635 349588956 /nfs/dbraw/zinc/58/89/56/349588956.db2.gz INVFZIFBVBBAFI-WXLSXGNJSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1cccs1 ZINC000602546355 349589698 /nfs/dbraw/zinc/58/96/98/349589698.db2.gz LIHXLPHQSZBZTC-LLVKDONJSA-N 1 0 236.384 3.513 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1cccs1 ZINC000602546356 349589637 /nfs/dbraw/zinc/58/96/37/349589637.db2.gz LIHXLPHQSZBZTC-NSHDSACASA-N 1 0 236.384 3.513 20 30 BHEDRO CC[C@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602551301 349593140 /nfs/dbraw/zinc/59/31/40/349593140.db2.gz HYGRIWQKZUEJSJ-PPWQZUPISA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602551302 349593056 /nfs/dbraw/zinc/59/30/56/349593056.db2.gz HYGRIWQKZUEJSJ-URGYJCLVSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602551304 349593049 /nfs/dbraw/zinc/59/30/49/349593049.db2.gz HYGRIWQKZUEJSJ-VXGQWTEUSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602551306 349593123 /nfs/dbraw/zinc/59/31/23/349593123.db2.gz HYGRIWQKZUEJSJ-XSCHDIRWSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCCC[C@H]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602551516 349592908 /nfs/dbraw/zinc/59/29/08/349592908.db2.gz OYQLADDNRSJZFT-CIDNJEQPSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]1CCCC[C@@H]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602551517 349592880 /nfs/dbraw/zinc/59/28/80/349592880.db2.gz OYQLADDNRSJZFT-JWMHWRSXSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]1CCCC[C@H]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602551518 349593077 /nfs/dbraw/zinc/59/30/77/349593077.db2.gz OYQLADDNRSJZFT-UIDBIOKJSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602551519 349592773 /nfs/dbraw/zinc/59/27/73/349592773.db2.gz OYQLADDNRSJZFT-YHNBSYBMSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602552153 349593452 /nfs/dbraw/zinc/59/34/52/349593452.db2.gz UGVCXCDZALNRFP-DNOWBOINSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602552348 349593459 /nfs/dbraw/zinc/59/34/59/349593459.db2.gz UGVCXCDZALNRFP-OPFPJEHXSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602552908 349594479 /nfs/dbraw/zinc/59/44/79/349594479.db2.gz YWPWBVQPYCFFQS-UHFFFAOYSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC1CCC(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602553680 349595488 /nfs/dbraw/zinc/59/54/88/349595488.db2.gz WMLKGUAHSPZMFV-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO Cc1cccc([C@@H](C)C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602554161 349595343 /nfs/dbraw/zinc/59/53/43/349595343.db2.gz GIILBYNHRBWNIQ-CABCVRRESA-N 1 0 244.382 3.628 20 30 BHEDRO Cc1cccc([C@@H](C)C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602554162 349595235 /nfs/dbraw/zinc/59/52/35/349595235.db2.gz GIILBYNHRBWNIQ-GJZGRUSLSA-N 1 0 244.382 3.628 20 30 BHEDRO Cc1cccc([C@H](C)C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602554163 349595503 /nfs/dbraw/zinc/59/55/03/349595503.db2.gz GIILBYNHRBWNIQ-HUUCEWRRSA-N 1 0 244.382 3.628 20 30 BHEDRO Cc1cccc([C@H](C)C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602554164 349595323 /nfs/dbraw/zinc/59/53/23/349595323.db2.gz GIILBYNHRBWNIQ-LSDHHAIUSA-N 1 0 244.382 3.628 20 30 BHEDRO N#CC1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000602554497 349596315 /nfs/dbraw/zinc/59/63/15/349596315.db2.gz DLMOOUUKBLHGQL-BEBHXBEKSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000602554498 349596243 /nfs/dbraw/zinc/59/62/43/349596243.db2.gz DLMOOUUKBLHGQL-FSXGRMEGSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000602554499 349596021 /nfs/dbraw/zinc/59/60/21/349596021.db2.gz DLMOOUUKBLHGQL-JXLIZBIESA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000602554500 349596301 /nfs/dbraw/zinc/59/63/01/349596301.db2.gz DLMOOUUKBLHGQL-KVDYFSNESA-N 1 0 246.398 3.627 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CCC(C)(C)C ZINC000602556294 349597774 /nfs/dbraw/zinc/59/77/74/349597774.db2.gz KIDOWQYPZWHPPV-CHWSQXEVSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000602556300 349597829 /nfs/dbraw/zinc/59/78/29/349597829.db2.gz KIDOWQYPZWHPPV-OLZOCXBDSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](C)CCC#N ZINC000602556301 349597735 /nfs/dbraw/zinc/59/77/35/349597735.db2.gz KIDOWQYPZWHPPV-QWHCGFSZSA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000602556303 349597832 /nfs/dbraw/zinc/59/78/32/349597832.db2.gz KIDOWQYPZWHPPV-STQMWFEESA-N 1 0 224.392 3.731 20 30 BHEDRO C[C@@H](CCC(C)(C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602557336 349597790 /nfs/dbraw/zinc/59/77/90/349597790.db2.gz OMWLJTVXKMVVMV-HSBZDZAISA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@H](CCC(C)(C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602557337 349597808 /nfs/dbraw/zinc/59/78/08/349597808.db2.gz OMWLJTVXKMVVMV-IYXRBSQSSA-N 1 0 236.403 3.873 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000602559147 349598937 /nfs/dbraw/zinc/59/89/37/349598937.db2.gz UENBNWNBXAYIPU-GFCCVEGCSA-N 1 0 248.345 3.590 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000602559148 349598878 /nfs/dbraw/zinc/59/88/78/349598878.db2.gz UENBNWNBXAYIPU-LBPRGKRZSA-N 1 0 248.345 3.590 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000602564653 349616783 /nfs/dbraw/zinc/61/67/83/349616783.db2.gz NKSLWXOTYMYCPU-ILXRZTDVSA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000602564664 349616911 /nfs/dbraw/zinc/61/69/11/349616911.db2.gz NKSLWXOTYMYCPU-KFWWJZLASA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000602564665 349617101 /nfs/dbraw/zinc/61/71/01/349617101.db2.gz NKSLWXOTYMYCPU-QLFBSQMISA-N 1 0 244.382 3.708 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000602564667 349617069 /nfs/dbraw/zinc/61/70/69/349617069.db2.gz NKSLWXOTYMYCPU-RBSFLKMASA-N 1 0 244.382 3.708 20 30 BHEDRO CCCC[C@H](CCC)[NH2+]C[C@@H](C)CCC#N ZINC000602564728 349616762 /nfs/dbraw/zinc/61/67/62/349616762.db2.gz CHCLXOXMHUXFBQ-KBPBESRZSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCC[C@H](CCC)[NH2+]C[C@H](C)CCC#N ZINC000602564729 349617178 /nfs/dbraw/zinc/61/71/78/349617178.db2.gz CHCLXOXMHUXFBQ-KGLIPLIRSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCC[C@@H](CCC)[NH2+]C[C@@H](C)CCC#N ZINC000602564731 349617033 /nfs/dbraw/zinc/61/70/33/349617033.db2.gz CHCLXOXMHUXFBQ-UONOGXRCSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCC[C@@H](CCC)[NH2+]C[C@H](C)CCC#N ZINC000602564732 349617213 /nfs/dbraw/zinc/61/72/13/349617213.db2.gz CHCLXOXMHUXFBQ-ZIAGYGMSSA-N 1 0 224.392 3.875 20 30 BHEDRO CC1(C[NH2+]C2CCC(C#N)CC2)CCCCC1 ZINC000602566790 349618630 /nfs/dbraw/zinc/61/86/30/349618630.db2.gz BEXDINRXRHDZBP-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)CCC#N)ccc1F ZINC000602567825 349619206 /nfs/dbraw/zinc/61/92/06/349619206.db2.gz LFHWKCWVYGZUSJ-DGCLKSJQSA-N 1 0 248.345 3.725 20 30 BHEDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)ccc1F ZINC000602567828 349619361 /nfs/dbraw/zinc/61/93/61/349619361.db2.gz LFHWKCWVYGZUSJ-WCQYABFASA-N 1 0 248.345 3.725 20 30 BHEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568029 349619258 /nfs/dbraw/zinc/61/92/58/349619258.db2.gz MQAGXYSBRQQTDP-PPWQZUPISA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568031 349619577 /nfs/dbraw/zinc/61/95/77/349619577.db2.gz MQAGXYSBRQQTDP-URGYJCLVSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568032 349619556 /nfs/dbraw/zinc/61/95/56/349619556.db2.gz MQAGXYSBRQQTDP-VXGQWTEUSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568033 349619455 /nfs/dbraw/zinc/61/94/55/349619455.db2.gz MQAGXYSBRQQTDP-XSCHDIRWSA-N 1 0 248.414 3.873 20 30 BHEDRO CCC(CC)(CC)C[NH2+]C1CCC(C#N)CC1 ZINC000602568165 349619480 /nfs/dbraw/zinc/61/94/80/349619480.db2.gz IULJIORYNQATPO-UHFFFAOYSA-N 1 0 236.403 3.875 20 30 BHEDRO CC1(C)CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568345 349619594 /nfs/dbraw/zinc/61/95/94/349619594.db2.gz KHGSYAMEXWJIGC-JXQTWKCFSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568346 349619226 /nfs/dbraw/zinc/61/92/26/349619226.db2.gz KHGSYAMEXWJIGC-RUXDESIVSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)CC1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC000602569536 349620225 /nfs/dbraw/zinc/62/02/25/349620225.db2.gz SWTOBRQKZJLCDK-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)CC1(C[NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602570104 349621072 /nfs/dbraw/zinc/62/10/72/349621072.db2.gz UCAGBWYSEVXDEC-AWEZNQCLSA-N 1 0 236.403 3.732 20 30 BHEDRO CC(C)CC1(C[NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602570105 349620844 /nfs/dbraw/zinc/62/08/44/349620844.db2.gz UCAGBWYSEVXDEC-CQSZACIVSA-N 1 0 236.403 3.732 20 30 BHEDRO CCCC1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC000602570121 349621087 /nfs/dbraw/zinc/62/10/87/349621087.db2.gz UUNONYMIQVRKCB-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CCC(CC)(CC)C[NH2+]C[C@H](C)CCC#N ZINC000602571579 349621894 /nfs/dbraw/zinc/62/18/94/349621894.db2.gz VWFJFPWYXDGZDI-CYBMUJFWSA-N 1 0 224.392 3.732 20 30 BHEDRO CCC(CC)(CC)C[NH2+]C[C@@H](C)CCC#N ZINC000602571580 349621463 /nfs/dbraw/zinc/62/14/63/349621463.db2.gz VWFJFPWYXDGZDI-ZDUSSCGKSA-N 1 0 224.392 3.732 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000602572230 349622414 /nfs/dbraw/zinc/62/24/14/349622414.db2.gz ZUBRHWLLAIZNMB-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000602572231 349622539 /nfs/dbraw/zinc/62/25/39/349622539.db2.gz ZUBRHWLLAIZNMB-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000602572232 349622307 /nfs/dbraw/zinc/62/23/07/349622307.db2.gz ZUBRHWLLAIZNMB-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000602572233 349622473 /nfs/dbraw/zinc/62/24/73/349622473.db2.gz ZUBRHWLLAIZNMB-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO CCC1(C[NH2+]C2CCC(C#N)CC2)CCCC1 ZINC000602572236 349622351 /nfs/dbraw/zinc/62/23/51/349622351.db2.gz ZXOAFESDONTSEN-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)CC(C)(C)C[NH2+]C[C@H](C)CCC#N ZINC000602572779 349622363 /nfs/dbraw/zinc/62/23/63/349622363.db2.gz NFBHPCWUBVUARA-CYBMUJFWSA-N 1 0 224.392 3.588 20 30 BHEDRO CC(C)CC(C)(C)C[NH2+]C[C@@H](C)CCC#N ZINC000602572780 349622521 /nfs/dbraw/zinc/62/25/21/349622521.db2.gz NFBHPCWUBVUARA-ZDUSSCGKSA-N 1 0 224.392 3.588 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)C1CCCC1 ZINC000602575754 349624626 /nfs/dbraw/zinc/62/46/26/349624626.db2.gz JKHXCRKJBAZOJD-CYBMUJFWSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)C1CCCC1 ZINC000602575755 349624613 /nfs/dbraw/zinc/62/46/13/349624613.db2.gz JKHXCRKJBAZOJD-ZDUSSCGKSA-N 1 0 236.403 3.732 20 30 BHEDRO CC(C)C1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602576857 385806435 /nfs/dbraw/zinc/80/64/35/385806435.db2.gz QOWAHFHPNPLUEE-UHFFFAOYSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)C1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602576870 385806408 /nfs/dbraw/zinc/80/64/08/385806408.db2.gz REYUSKYIPUNUDO-NFOMZHRRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)C1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602576871 385805604 /nfs/dbraw/zinc/80/56/04/385805604.db2.gz REYUSKYIPUNUDO-WLYUNCDWSA-N 1 0 236.403 3.731 20 30 BHEDRO CC1(C)CCC(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602580321 349608395 /nfs/dbraw/zinc/60/83/95/349608395.db2.gz NPQBFTQSZSMDHQ-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO N#CC1CCC([NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000602586867 349612632 /nfs/dbraw/zinc/61/26/32/349612632.db2.gz DOBRKGJZEZLKRX-AHNOJICISA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC1CCC([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000602586868 349612207 /nfs/dbraw/zinc/61/22/07/349612207.db2.gz DOBRKGJZEZLKRX-DISOXQEGSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC1CCC([NH2+][C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000602586869 349612821 /nfs/dbraw/zinc/61/28/21/349612821.db2.gz DOBRKGJZEZLKRX-GDVJOBBMSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC1CCC([NH2+][C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000602586870 349612304 /nfs/dbraw/zinc/61/23/04/349612304.db2.gz DOBRKGJZEZLKRX-UAOKOLBASA-N 1 0 246.398 3.627 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]CCC1=CCCCCC1 ZINC000602610052 349633557 /nfs/dbraw/zinc/63/35/57/349633557.db2.gz DOKJKLWKCIKACO-AWEZNQCLSA-N 1 0 234.387 3.796 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]CCC1=CCCCCC1 ZINC000602610053 349633511 /nfs/dbraw/zinc/63/35/11/349633511.db2.gz DOKJKLWKCIKACO-CQSZACIVSA-N 1 0 234.387 3.796 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCc2sccc21 ZINC000602611374 349634708 /nfs/dbraw/zinc/63/47/08/349634708.db2.gz NDRSYUAXEDMHHA-AAEUAGOBSA-N 1 0 248.395 3.655 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000602611376 349634410 /nfs/dbraw/zinc/63/44/10/349634410.db2.gz NDRSYUAXEDMHHA-DGCLKSJQSA-N 1 0 248.395 3.655 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000602611377 349635076 /nfs/dbraw/zinc/63/50/76/349635076.db2.gz NDRSYUAXEDMHHA-WCQYABFASA-N 1 0 248.395 3.655 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCc2sccc21 ZINC000602611378 349634458 /nfs/dbraw/zinc/63/44/58/349634458.db2.gz NDRSYUAXEDMHHA-YPMHNXCESA-N 1 0 248.395 3.655 20 30 BHEDRO CC[C@@H](CC#N)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000602611886 349635421 /nfs/dbraw/zinc/63/54/21/349635421.db2.gz MKIFHSGCDAZSIP-AWEZNQCLSA-N 1 0 232.371 3.691 20 30 BHEDRO CC[C@H](CC#N)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000602611887 349635642 /nfs/dbraw/zinc/63/56/42/349635642.db2.gz MKIFHSGCDAZSIP-CQSZACIVSA-N 1 0 232.371 3.691 20 30 BHEDRO N#CC1CCC([NH2+]CCC2=CCCCCC2)CC1 ZINC000602612422 349636263 /nfs/dbraw/zinc/63/62/63/349636263.db2.gz RIIJEEYMCJDGPH-UHFFFAOYSA-N 1 0 246.398 3.939 20 30 BHEDRO CCC[C@H]1CCCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602613106 349636426 /nfs/dbraw/zinc/63/64/26/349636426.db2.gz OXZNMLGALXYNHZ-KBPBESRZSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@H]1CCCC[N@@H+]1C[C@H](C)CCC#N ZINC000602613107 349636265 /nfs/dbraw/zinc/63/62/65/349636265.db2.gz OXZNMLGALXYNHZ-KGLIPLIRSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@@H]1CCCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602613108 349636872 /nfs/dbraw/zinc/63/68/72/349636872.db2.gz OXZNMLGALXYNHZ-UONOGXRCSA-N 1 0 222.376 3.581 20 30 BHEDRO CCC[C@@H]1CCCC[N@@H+]1C[C@H](C)CCC#N ZINC000602613109 349636351 /nfs/dbraw/zinc/63/63/51/349636351.db2.gz OXZNMLGALXYNHZ-ZIAGYGMSSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000602613215 349636660 /nfs/dbraw/zinc/63/66/60/349636660.db2.gz UENTYVYIEZLDLW-FVCCEPFGSA-N 1 0 248.395 3.522 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000602613217 349636462 /nfs/dbraw/zinc/63/64/62/349636462.db2.gz UENTYVYIEZLDLW-MROQNXINSA-N 1 0 248.395 3.522 20 30 BHEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000602613218 349636226 /nfs/dbraw/zinc/63/62/26/349636226.db2.gz UENTYVYIEZLDLW-QNWHQSFQSA-N 1 0 248.395 3.522 20 30 BHEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000602613220 349636728 /nfs/dbraw/zinc/63/67/28/349636728.db2.gz UENTYVYIEZLDLW-ZDEQEGDKSA-N 1 0 248.395 3.522 20 30 BHEDRO CC(C)(C#N)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000602614197 349637487 /nfs/dbraw/zinc/63/74/87/349637487.db2.gz MMKCXZQXTJMNIT-UHFFFAOYSA-N 1 0 232.371 3.549 20 30 BHEDRO CC(C)c1cccc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602618611 349639648 /nfs/dbraw/zinc/63/96/48/349639648.db2.gz ZYCMABQCRZYQHL-AWEZNQCLSA-N 1 0 244.382 3.839 20 30 BHEDRO CC(C)c1cccc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602618613 349639681 /nfs/dbraw/zinc/63/96/81/349639681.db2.gz ZYCMABQCRZYQHL-CQSZACIVSA-N 1 0 244.382 3.839 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602626064 349663573 /nfs/dbraw/zinc/66/35/73/349663573.db2.gz IBTUXPWHXCWNAU-FEWQNLEASA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602626067 349663477 /nfs/dbraw/zinc/66/34/77/349663477.db2.gz IBTUXPWHXCWNAU-FGZQJIAISA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602626069 349663553 /nfs/dbraw/zinc/66/35/53/349663553.db2.gz IBTUXPWHXCWNAU-JLVJUDLZSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602626071 349663434 /nfs/dbraw/zinc/66/34/34/349663434.db2.gz IBTUXPWHXCWNAU-LQULJDIASA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000602628577 349665144 /nfs/dbraw/zinc/66/51/44/349665144.db2.gz BQFKMCYZJADRKQ-CYBMUJFWSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000602628578 349665275 /nfs/dbraw/zinc/66/52/75/349665275.db2.gz BQFKMCYZJADRKQ-ZDUSSCGKSA-N 1 0 242.366 3.593 20 30 BHEDRO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C)CCC#N ZINC000602628992 349665234 /nfs/dbraw/zinc/66/52/34/349665234.db2.gz CLXIVUMQYKBKNI-GFCCVEGCSA-N 1 0 248.345 3.506 20 30 BHEDRO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C)CCC#N ZINC000602628993 349664993 /nfs/dbraw/zinc/66/49/93/349664993.db2.gz CLXIVUMQYKBKNI-LBPRGKRZSA-N 1 0 248.345 3.506 20 30 BHEDRO CC1(C)CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602628999 349665266 /nfs/dbraw/zinc/66/52/66/349665266.db2.gz ZIHYHSCRDDVLPA-JXQTWKCFSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602629001 349665204 /nfs/dbraw/zinc/66/52/04/349665204.db2.gz ZIHYHSCRDDVLPA-RUXDESIVSA-N 1 0 234.387 3.627 20 30 BHEDRO CC(C)C(C[NH2+]C1CCC(C#N)CC1)C(C)C ZINC000602629795 349665237 /nfs/dbraw/zinc/66/52/37/349665237.db2.gz KBOAWMPECOSONF-UHFFFAOYSA-N 1 0 236.403 3.587 20 30 BHEDRO Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)CCC#N)c1 ZINC000602631254 349648275 /nfs/dbraw/zinc/64/82/75/349648275.db2.gz FNDGCYHOHCRAQU-CYBMUJFWSA-N 1 0 244.382 3.675 20 30 BHEDRO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C)CCC#N)c1 ZINC000602631269 349648233 /nfs/dbraw/zinc/64/82/33/349648233.db2.gz FNDGCYHOHCRAQU-ZDUSSCGKSA-N 1 0 244.382 3.675 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000602635716 349650500 /nfs/dbraw/zinc/65/05/00/349650500.db2.gz BLCJDNCVILXMPW-KBPBESRZSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000602635719 349650490 /nfs/dbraw/zinc/65/04/90/349650490.db2.gz BLCJDNCVILXMPW-KGLIPLIRSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CC1CCCCC1 ZINC000602636159 349650462 /nfs/dbraw/zinc/65/04/62/349650462.db2.gz HCAZAKIQBZFTAG-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CC1CCCCC1 ZINC000602636161 349650616 /nfs/dbraw/zinc/65/06/16/349650616.db2.gz HCAZAKIQBZFTAG-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC1CCC(C)(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602638211 349652114 /nfs/dbraw/zinc/65/21/14/349652114.db2.gz NQHFSUFPHXOFSX-UHFFFAOYSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CC1CCCCC1)[NH2+]C[C@@H](C)CCC#N ZINC000602638732 349651989 /nfs/dbraw/zinc/65/19/89/349651989.db2.gz HCAZAKIQBZFTAG-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CC1CCCCC1 ZINC000602638733 349652060 /nfs/dbraw/zinc/65/20/60/349652060.db2.gz HCAZAKIQBZFTAG-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO N#CCC1(C[NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000602644118 349656254 /nfs/dbraw/zinc/65/62/54/349656254.db2.gz UVUZBUHBHHKMJJ-UHFFFAOYSA-N 1 0 244.382 3.693 20 30 BHEDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@@H]1C ZINC000602645977 349657793 /nfs/dbraw/zinc/65/77/93/349657793.db2.gz VXKFZOZJRORDFD-AQIKHJSRSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)[C@@H]1C ZINC000602645979 349657930 /nfs/dbraw/zinc/65/79/30/349657930.db2.gz VXKFZOZJRORDFD-LFOPHDTNSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@H]1C ZINC000602645981 349657578 /nfs/dbraw/zinc/65/75/78/349657578.db2.gz VXKFZOZJRORDFD-QTJAEWGCSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)[C@H]1C ZINC000602645983 349657763 /nfs/dbraw/zinc/65/77/63/349657763.db2.gz VXKFZOZJRORDFD-WJTFHPDPSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602650142 349659229 /nfs/dbraw/zinc/65/92/29/349659229.db2.gz BLCJDNCVILXMPW-UONOGXRCSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000602650143 349659508 /nfs/dbraw/zinc/65/95/08/349659508.db2.gz BLCJDNCVILXMPW-ZIAGYGMSSA-N 1 0 236.403 3.827 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000602654766 349661205 /nfs/dbraw/zinc/66/12/05/349661205.db2.gz SHFFNIJXCDUHIE-AWEZNQCLSA-N 1 0 244.382 3.793 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000602654767 349660922 /nfs/dbraw/zinc/66/09/22/349660922.db2.gz SHFFNIJXCDUHIE-CQSZACIVSA-N 1 0 244.382 3.793 20 30 BHEDRO N#CC1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000602655247 349662009 /nfs/dbraw/zinc/66/20/09/349662009.db2.gz NWKAZMNHWVTAII-UHFFFAOYSA-N 1 0 246.398 3.627 20 30 BHEDRO CCCC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCC1 ZINC000602668885 349685798 /nfs/dbraw/zinc/68/57/98/349685798.db2.gz VGRFLYNRLQUGPE-DZGCQCFKSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H]([NH2+]C[C@H](C)CCC#N)C1CCC1 ZINC000602668887 349685571 /nfs/dbraw/zinc/68/55/71/349685571.db2.gz VGRFLYNRLQUGPE-HIFRSBDPSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@@H]([NH2+]C[C@H](C)CCC#N)C1CCC1 ZINC000602668889 349685653 /nfs/dbraw/zinc/68/56/53/349685653.db2.gz VGRFLYNRLQUGPE-UKRRQHHQSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCC[C@H]([NH2+]C[C@@H](C)CCC#N)C1CCC1 ZINC000602668890 349685390 /nfs/dbraw/zinc/68/53/90/349685390.db2.gz VGRFLYNRLQUGPE-ZFWWWQNUSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602670052 349686098 /nfs/dbraw/zinc/68/60/98/349686098.db2.gz LTTDFWHSKLXQSX-NZFPVTAUSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)C(C)(C)C ZINC000602670493 349665852 /nfs/dbraw/zinc/66/58/52/349665852.db2.gz OWDVJBKYOJMOBQ-GFCCVEGCSA-N 1 0 224.392 3.588 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)C(C)(C)C ZINC000602670496 349665899 /nfs/dbraw/zinc/66/58/99/349665899.db2.gz OWDVJBKYOJMOBQ-LBPRGKRZSA-N 1 0 224.392 3.588 20 30 BHEDRO Cc1cccc(C[N@@H+](C)C[C@H](C)CCC#N)c1C ZINC000602673597 349667674 /nfs/dbraw/zinc/66/76/74/349667674.db2.gz WDWYEBNEQWCJNM-CYBMUJFWSA-N 1 0 244.382 3.675 20 30 BHEDRO Cc1cccc(C[N@@H+](C)C[C@@H](C)CCC#N)c1C ZINC000602673598 349667586 /nfs/dbraw/zinc/66/75/86/349667586.db2.gz WDWYEBNEQWCJNM-ZDUSSCGKSA-N 1 0 244.382 3.675 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1ccccc1F ZINC000602673834 349667642 /nfs/dbraw/zinc/66/76/42/349667642.db2.gz SPHSYXKPVYQHGV-GFCCVEGCSA-N 1 0 248.345 3.590 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1ccccc1F ZINC000602673835 349667531 /nfs/dbraw/zinc/66/75/31/349667531.db2.gz SPHSYXKPVYQHGV-LBPRGKRZSA-N 1 0 248.345 3.590 20 30 BHEDRO N#CC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000602674171 349667527 /nfs/dbraw/zinc/66/75/27/349667527.db2.gz FWDRTNZKMIIDDW-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602676350 349669021 /nfs/dbraw/zinc/66/90/21/349669021.db2.gz YOMXRWNBQBRCNV-FYRZTWFESA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602676351 349669192 /nfs/dbraw/zinc/66/91/92/349669192.db2.gz YOMXRWNBQBRCNV-LVDPKSTMSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602676352 349669342 /nfs/dbraw/zinc/66/93/42/349669342.db2.gz YOMXRWNBQBRCNV-PWUWZPNHSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@H]1CCCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602676353 349669017 /nfs/dbraw/zinc/66/90/17/349669017.db2.gz YOMXRWNBQBRCNV-PYBGIAKNSA-N 1 0 248.414 3.875 20 30 BHEDRO Cc1ccccc1C(C)(C)[NH2+]C[C@H](C)CCC#N ZINC000602676607 349669883 /nfs/dbraw/zinc/66/98/83/349669883.db2.gz PRRZEGJTSTUQKV-CYBMUJFWSA-N 1 0 244.382 3.760 20 30 BHEDRO Cc1ccccc1C(C)(C)[NH2+]C[C@@H](C)CCC#N ZINC000602676609 349669937 /nfs/dbraw/zinc/66/99/37/349669937.db2.gz PRRZEGJTSTUQKV-ZDUSSCGKSA-N 1 0 244.382 3.760 20 30 BHEDRO CCC[C@@H]([NH2+]C1CCC(C#N)CC1)C(C)(C)C ZINC000602677344 349669898 /nfs/dbraw/zinc/66/98/98/349669898.db2.gz XWUPFZUAJDDXGK-JXQTWKCFSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@H]([NH2+]C1CCC(C#N)CC1)C(C)(C)C ZINC000602677345 349669858 /nfs/dbraw/zinc/66/98/58/349669858.db2.gz XWUPFZUAJDDXGK-RUXDESIVSA-N 1 0 236.403 3.873 20 30 BHEDRO CCC[C@@H]([NH2+]C[C@H](C)CCC#N)C(C)(C)C ZINC000602677572 349670846 /nfs/dbraw/zinc/67/08/46/349670846.db2.gz YQNNBOXQAIZGTA-CHWSQXEVSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC[C@H]([NH2+]C[C@H](C)CCC#N)C(C)(C)C ZINC000602677573 349670875 /nfs/dbraw/zinc/67/08/75/349670875.db2.gz YQNNBOXQAIZGTA-OLZOCXBDSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC[C@@H]([NH2+]C[C@@H](C)CCC#N)C(C)(C)C ZINC000602677574 349670827 /nfs/dbraw/zinc/67/08/27/349670827.db2.gz YQNNBOXQAIZGTA-QWHCGFSZSA-N 1 0 224.392 3.731 20 30 BHEDRO CCC[C@H]([NH2+]C[C@@H](C)CCC#N)C(C)(C)C ZINC000602677575 349671041 /nfs/dbraw/zinc/67/10/41/349671041.db2.gz YQNNBOXQAIZGTA-STQMWFEESA-N 1 0 224.392 3.731 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602678572 349670713 /nfs/dbraw/zinc/67/07/13/349670713.db2.gz GHJHRIDXQJHYGE-KBPBESRZSA-N 1 0 222.376 3.651 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602678573 349671025 /nfs/dbraw/zinc/67/10/25/349671025.db2.gz GHJHRIDXQJHYGE-KGLIPLIRSA-N 1 0 222.376 3.651 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602678574 349671063 /nfs/dbraw/zinc/67/10/63/349671063.db2.gz GHJHRIDXQJHYGE-UONOGXRCSA-N 1 0 222.376 3.651 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602678575 349670916 /nfs/dbraw/zinc/67/09/16/349670916.db2.gz GHJHRIDXQJHYGE-ZIAGYGMSSA-N 1 0 222.376 3.651 20 30 BHEDRO CC1(C)CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602679691 349672450 /nfs/dbraw/zinc/67/24/50/349672450.db2.gz AFRARGHLSBJFQR-SHARSMKWSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602679693 349672744 /nfs/dbraw/zinc/67/27/44/349672744.db2.gz AFRARGHLSBJFQR-SLTAFYQDSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCCCC1 ZINC000602680643 349673293 /nfs/dbraw/zinc/67/32/93/349673293.db2.gz QQLPGMZZCQCMBT-DZKIICNBSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCCCC1 ZINC000602680644 349673576 /nfs/dbraw/zinc/67/35/76/349673576.db2.gz QQLPGMZZCQCMBT-YCPHGPKFSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)=CCC[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602682415 349674283 /nfs/dbraw/zinc/67/42/83/349674283.db2.gz XDDMMZLHKFHLPE-NFOMZHRRSA-N 1 0 234.387 3.793 20 30 BHEDRO CC(C)=CCC[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602682417 349674516 /nfs/dbraw/zinc/67/45/16/349674516.db2.gz XDDMMZLHKFHLPE-WLYUNCDWSA-N 1 0 234.387 3.793 20 30 BHEDRO C=CCC1(C[NH2+]C2CCC(C#N)CC2)CCCC1 ZINC000602682560 349674544 /nfs/dbraw/zinc/67/45/44/349674544.db2.gz FXVHYNCGSCYIDC-UHFFFAOYSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCC1([NH2+]C[C@@H](C)CCC#N)CCCCC1 ZINC000602683706 349675483 /nfs/dbraw/zinc/67/54/83/349675483.db2.gz KTXYMQOWTDXXTC-AWEZNQCLSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCC1([NH2+]C[C@H](C)CCC#N)CCCCC1 ZINC000602683707 349675406 /nfs/dbraw/zinc/67/54/06/349675406.db2.gz KTXYMQOWTDXXTC-CQSZACIVSA-N 1 0 234.387 3.795 20 30 BHEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)C1CCCC1 ZINC000602683872 349675323 /nfs/dbraw/zinc/67/53/23/349675323.db2.gz WUQBKAHFARRXCW-PESDSKBTSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)C1CCCC1 ZINC000602683873 349675228 /nfs/dbraw/zinc/67/52/28/349675228.db2.gz WUQBKAHFARRXCW-ZALBZXLWSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC1([NH2+]C[C@H](C)CCC#N)CCCCC1 ZINC000602684540 349676431 /nfs/dbraw/zinc/67/64/31/349676431.db2.gz ZUXQOYCWKFLQGF-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CCC1([NH2+]C[C@@H](C)CCC#N)CCCCC1 ZINC000602684543 349676065 /nfs/dbraw/zinc/67/60/65/349676065.db2.gz ZUXQOYCWKFLQGF-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCC1(C[NH2+]C[C@@H](C)CCC#N)CCCC1 ZINC000602684776 349676131 /nfs/dbraw/zinc/67/61/31/349676131.db2.gz ULRUXLNBAAHPKR-AWEZNQCLSA-N 1 0 234.387 3.652 20 30 BHEDRO C=CCC1(C[NH2+]C[C@H](C)CCC#N)CCCC1 ZINC000602684777 349676484 /nfs/dbraw/zinc/67/64/84/349676484.db2.gz ULRUXLNBAAHPKR-CQSZACIVSA-N 1 0 234.387 3.652 20 30 BHEDRO Cc1ccc(C[N@@H+](C)C[C@H](C)CCC#N)cc1C ZINC000602685268 349677315 /nfs/dbraw/zinc/67/73/15/349677315.db2.gz DVVODCTUHBRBDA-CYBMUJFWSA-N 1 0 244.382 3.675 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000602685529 349677068 /nfs/dbraw/zinc/67/70/68/349677068.db2.gz ILJBPVLNCPAJIN-APIJFGDWSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000602685530 349677311 /nfs/dbraw/zinc/67/73/11/349677311.db2.gz ILJBPVLNCPAJIN-KBXIAJHMSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000602685531 349677017 /nfs/dbraw/zinc/67/70/17/349677017.db2.gz ILJBPVLNCPAJIN-LJISPDSOSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000602685532 349677052 /nfs/dbraw/zinc/67/70/52/349677052.db2.gz ILJBPVLNCPAJIN-XGUBFFRZSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)C1=CCCC1 ZINC000602686180 349677882 /nfs/dbraw/zinc/67/78/82/349677882.db2.gz BQLIKZPWLGMGND-CYBMUJFWSA-N 1 0 234.387 3.652 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)C1=CCCC1 ZINC000602686181 349677888 /nfs/dbraw/zinc/67/78/88/349677888.db2.gz BQLIKZPWLGMGND-ZDUSSCGKSA-N 1 0 234.387 3.652 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCC[C@H](C)C1 ZINC000602686338 349677890 /nfs/dbraw/zinc/67/78/90/349677890.db2.gz PGQOGOMOIIUBSZ-GYJLLUIASA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000602686339 349677913 /nfs/dbraw/zinc/67/79/13/349677913.db2.gz PGQOGOMOIIUBSZ-NEIABLLTSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000602686340 349677879 /nfs/dbraw/zinc/67/78/79/349677879.db2.gz PGQOGOMOIIUBSZ-QTJAEWGCSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000602686341 349677906 /nfs/dbraw/zinc/67/79/06/349677906.db2.gz PGQOGOMOIIUBSZ-WJTFHPDPSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H](CCC#N)CNc1ccc2c[nH+]ccc2c1 ZINC000602687255 385813801 /nfs/dbraw/zinc/81/38/01/385813801.db2.gz JAKJAYOCNKTTSO-GFCCVEGCSA-N 1 0 239.322 3.587 20 30 BHEDRO C[C@@H](CCC#N)CNc1ccc2c[nH+]ccc2c1 ZINC000602687256 385814413 /nfs/dbraw/zinc/81/44/13/385814413.db2.gz JAKJAYOCNKTTSO-LBPRGKRZSA-N 1 0 239.322 3.587 20 30 BHEDRO CCC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCCC1 ZINC000602687374 349678109 /nfs/dbraw/zinc/67/81/09/349678109.db2.gz LEXQBBDCLYCDGF-DZGCQCFKSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@H]([NH2+]C[C@H](C)CCC#N)C1CCCC1 ZINC000602687375 349678411 /nfs/dbraw/zinc/67/84/11/349678411.db2.gz LEXQBBDCLYCDGF-HIFRSBDPSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H]([NH2+]C[C@H](C)CCC#N)C1CCCC1 ZINC000602687376 349678323 /nfs/dbraw/zinc/67/83/23/349678323.db2.gz LEXQBBDCLYCDGF-UKRRQHHQSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@H]([NH2+]C[C@@H](C)CCC#N)C1CCCC1 ZINC000602687377 349678153 /nfs/dbraw/zinc/67/81/53/349678153.db2.gz LEXQBBDCLYCDGF-ZFWWWQNUSA-N 1 0 236.403 3.875 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+]C2CCC(C#N)CC2)c1 ZINC000602687490 349678819 /nfs/dbraw/zinc/67/88/19/349678819.db2.gz XPHPFWNTFKGQNA-HLIUYOAVSA-N 1 0 242.366 3.728 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+]C2CCC(C#N)CC2)c1 ZINC000602687491 349678270 /nfs/dbraw/zinc/67/82/70/349678270.db2.gz XPHPFWNTFKGQNA-VQCLRJIVSA-N 1 0 242.366 3.728 20 30 BHEDRO CC(C)[N@@H+](C[C@H](C)CCC#N)C1CC(C)(C)C1 ZINC000602687720 349678171 /nfs/dbraw/zinc/67/81/71/349678171.db2.gz ZHHVDKOTHLRCGK-CYBMUJFWSA-N 1 0 236.403 3.825 20 30 BHEDRO CC(C)[N@@H+](C[C@@H](C)CCC#N)C1CC(C)(C)C1 ZINC000602687725 349678133 /nfs/dbraw/zinc/67/81/33/349678133.db2.gz ZHHVDKOTHLRCGK-ZDUSSCGKSA-N 1 0 236.403 3.825 20 30 BHEDRO CCC[C@@H]([NH2+]C1CCC(C#N)CC1)C1CCC1 ZINC000602687946 349678406 /nfs/dbraw/zinc/67/84/06/349678406.db2.gz RQGBHKOZQPNAFM-PESDSKBTSA-N 1 0 234.387 3.627 20 30 BHEDRO CCC[C@H]([NH2+]C1CCC(C#N)CC1)C1CCC1 ZINC000602687947 349678231 /nfs/dbraw/zinc/67/82/31/349678231.db2.gz RQGBHKOZQPNAFM-ZALBZXLWSA-N 1 0 234.387 3.627 20 30 BHEDRO N#CC1CCC([NH2+]CC2(C3CCC3)CCC2)CC1 ZINC000602688258 349678377 /nfs/dbraw/zinc/67/83/77/349678377.db2.gz PZTAKMOATVVTJE-UHFFFAOYSA-N 1 0 246.398 3.629 20 30 BHEDRO CC(C)(C[NH2+]C1CCC(C#N)CC1)C1=CCCC1 ZINC000602689706 349685058 /nfs/dbraw/zinc/68/50/58/349685058.db2.gz YBCBRJWWMTUYMB-UHFFFAOYSA-N 1 0 246.398 3.795 20 30 BHEDRO CC(C)(CC#N)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000602691252 349688314 /nfs/dbraw/zinc/68/83/14/349688314.db2.gz PMTVVCFUBKTGAT-UHFFFAOYSA-N 1 0 246.398 3.939 20 30 BHEDRO N#CC1CCC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000602691381 349688395 /nfs/dbraw/zinc/68/83/95/349688395.db2.gz FADXKVMSRSWSIJ-OMFOHFGMSA-N 1 0 246.398 3.627 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000602692465 349690023 /nfs/dbraw/zinc/69/00/23/349690023.db2.gz IFQGDXNNVZAXEC-HZSPNIEDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000602692466 349689685 /nfs/dbraw/zinc/68/96/85/349689685.db2.gz IFQGDXNNVZAXEC-MCIONIFRSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000602692467 349690271 /nfs/dbraw/zinc/69/02/71/349690271.db2.gz IFQGDXNNVZAXEC-MGPQQGTHSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000602692468 349690157 /nfs/dbraw/zinc/69/01/57/349690157.db2.gz IFQGDXNNVZAXEC-RDBSUJKOSA-N 1 0 236.403 3.731 20 30 BHEDRO CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602694486 398077719 /nfs/dbraw/zinc/07/77/19/398077719.db2.gz NVWDTCAXNFZKFM-CAOSSQGBSA-N 1 0 246.398 3.793 20 30 BHEDRO CC1=C(C)C[C@@H]([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602694488 398077772 /nfs/dbraw/zinc/07/77/72/398077772.db2.gz NVWDTCAXNFZKFM-FXUDXRNXSA-N 1 0 246.398 3.793 20 30 BHEDRO CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602694490 398077842 /nfs/dbraw/zinc/07/78/42/398077842.db2.gz NVWDTCAXNFZKFM-QKPAOTATSA-N 1 0 246.398 3.793 20 30 BHEDRO CC1=C(C)C[C@@H]([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602694491 398077815 /nfs/dbraw/zinc/07/78/15/398077815.db2.gz NVWDTCAXNFZKFM-YHUYYLMFSA-N 1 0 246.398 3.793 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000602694894 349691543 /nfs/dbraw/zinc/69/15/43/349691543.db2.gz OSOPWSBPJGOUOK-WBMJQRKESA-N 1 0 244.382 3.691 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602694998 349691736 /nfs/dbraw/zinc/69/17/36/349691736.db2.gz UURAHYMZSPHNFY-CVSAEHQPSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602694999 349691593 /nfs/dbraw/zinc/69/15/93/349691593.db2.gz UURAHYMZSPHNFY-NEXFUWMNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602695000 349691497 /nfs/dbraw/zinc/69/14/97/349691497.db2.gz UURAHYMZSPHNFY-PFSRBDOWSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602695001 349691595 /nfs/dbraw/zinc/69/15/95/349691595.db2.gz UURAHYMZSPHNFY-WUCCLRPBSA-N 1 0 248.414 3.873 20 30 BHEDRO N#CC1(C[NH2+]C2CCC(=C3CCC3)CC2)CCC1 ZINC000602697078 349693546 /nfs/dbraw/zinc/69/35/46/349693546.db2.gz UIVCKUPWIXDPKV-UHFFFAOYSA-N 1 0 244.382 3.693 20 30 BHEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1F ZINC000602697776 349694611 /nfs/dbraw/zinc/69/46/11/349694611.db2.gz IIHPJCZPINQCIM-DOMZBBRYSA-N 1 0 248.345 3.806 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1F ZINC000602697779 349694691 /nfs/dbraw/zinc/69/46/91/349694691.db2.gz IIHPJCZPINQCIM-WFASDCNBSA-N 1 0 248.345 3.806 20 30 BHEDRO Cc1ccccc1C1([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602698599 349694441 /nfs/dbraw/zinc/69/44/41/349694441.db2.gz DJOJKFHVJUZAKM-CYBMUJFWSA-N 1 0 242.366 3.514 20 30 BHEDRO Cc1ccccc1C1([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602698600 349694479 /nfs/dbraw/zinc/69/44/79/349694479.db2.gz DJOJKFHVJUZAKM-ZDUSSCGKSA-N 1 0 242.366 3.514 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000602701875 349697151 /nfs/dbraw/zinc/69/71/51/349697151.db2.gz YJOICQBSLGAJON-BBRMVZONSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000602701876 349697163 /nfs/dbraw/zinc/69/71/63/349697163.db2.gz YJOICQBSLGAJON-CJNGLKHVSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000602701877 349697261 /nfs/dbraw/zinc/69/72/61/349697261.db2.gz YJOICQBSLGAJON-CZUORRHYSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000602701878 349696967 /nfs/dbraw/zinc/69/69/67/349696967.db2.gz YJOICQBSLGAJON-XJKSGUPXSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000602702867 349697092 /nfs/dbraw/zinc/69/70/92/349697092.db2.gz NEPJVJFOTXQIDV-DZGCQCFKSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000602702868 349696834 /nfs/dbraw/zinc/69/68/34/349696834.db2.gz NEPJVJFOTXQIDV-HIFRSBDPSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000602702869 349697254 /nfs/dbraw/zinc/69/72/54/349697254.db2.gz NEPJVJFOTXQIDV-UKRRQHHQSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000602702870 349697287 /nfs/dbraw/zinc/69/72/87/349697287.db2.gz NEPJVJFOTXQIDV-ZFWWWQNUSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)[C@@H]1[N@H+](C[C@H](C)CCC#N)CC12CC=CC2 ZINC000602703294 349697899 /nfs/dbraw/zinc/69/78/99/349697899.db2.gz PWNATOQBHXNSID-CABCVRRESA-N 1 0 246.398 3.603 20 30 BHEDRO CC(C)[C@@H]1[N@H+](C[C@@H](C)CCC#N)CC12CC=CC2 ZINC000602703295 349697887 /nfs/dbraw/zinc/69/78/87/349697887.db2.gz PWNATOQBHXNSID-GJZGRUSLSA-N 1 0 246.398 3.603 20 30 BHEDRO CC(C)[C@H]1[N@H+](C[C@H](C)CCC#N)CC12CC=CC2 ZINC000602703296 349698532 /nfs/dbraw/zinc/69/85/32/349698532.db2.gz PWNATOQBHXNSID-HUUCEWRRSA-N 1 0 246.398 3.603 20 30 BHEDRO CC(C)[C@H]1[N@H+](C[C@@H](C)CCC#N)CC12CC=CC2 ZINC000602703297 349698244 /nfs/dbraw/zinc/69/82/44/349698244.db2.gz PWNATOQBHXNSID-LSDHHAIUSA-N 1 0 246.398 3.603 20 30 BHEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1F ZINC000602704617 349698073 /nfs/dbraw/zinc/69/80/73/349698073.db2.gz IIHPJCZPINQCIM-IUODEOHRSA-N 1 0 248.345 3.806 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1F ZINC000602704619 349699089 /nfs/dbraw/zinc/69/90/89/349699089.db2.gz IIHPJCZPINQCIM-SWLSCSKDSA-N 1 0 248.345 3.806 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602705394 349699311 /nfs/dbraw/zinc/69/93/11/349699311.db2.gz LGNJHWVECTVCHI-KFWWJZLASA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602705395 349699188 /nfs/dbraw/zinc/69/91/88/349699188.db2.gz LGNJHWVECTVCHI-RBSFLKMASA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602705396 349699346 /nfs/dbraw/zinc/69/93/46/349699346.db2.gz LGNJHWVECTVCHI-RRFJBIMHSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602705397 349698858 /nfs/dbraw/zinc/69/88/58/349698858.db2.gz LGNJHWVECTVCHI-ZNMIVQPWSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602706507 349699997 /nfs/dbraw/zinc/69/99/97/349699997.db2.gz OVWKEKSHCLBRCC-BHDPWAOGSA-N 1 0 246.398 3.793 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602706508 349700079 /nfs/dbraw/zinc/70/00/79/349700079.db2.gz OVWKEKSHCLBRCC-GRAKBVBRSA-N 1 0 246.398 3.793 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602706509 349699840 /nfs/dbraw/zinc/69/98/40/349699840.db2.gz OVWKEKSHCLBRCC-GYTBAZASSA-N 1 0 246.398 3.793 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602706510 349700281 /nfs/dbraw/zinc/70/02/81/349700281.db2.gz OVWKEKSHCLBRCC-KNIAUWFNSA-N 1 0 246.398 3.793 20 30 BHEDRO Cc1cc[nH+]c(NC[C@H](C)CCC#N)c1C1CC1 ZINC000602708651 349701978 /nfs/dbraw/zinc/70/19/78/349701978.db2.gz OMXJZCRDYWQUIM-LLVKDONJSA-N 1 0 243.354 3.619 20 30 BHEDRO Cc1cc[nH+]c(NC[C@@H](C)CCC#N)c1C1CC1 ZINC000602708652 349701594 /nfs/dbraw/zinc/70/15/94/349701594.db2.gz OMXJZCRDYWQUIM-NSHDSACASA-N 1 0 243.354 3.619 20 30 BHEDRO C[C@H]1C[C@H](C[NH2+]C2CCC(C#N)CC2)C[C@@H](C)C1 ZINC000602711187 349703836 /nfs/dbraw/zinc/70/38/36/349703836.db2.gz PGZUGKPVVMPDRP-AURRFLRISA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@@H]1CC(C[NH2+]C2CCC(C#N)CC2)C[C@@H](C)C1 ZINC000602711189 349704094 /nfs/dbraw/zinc/70/40/94/349704094.db2.gz PGZUGKPVVMPDRP-ILGZHXLLSA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@H]1CC(C[NH2+]C2CCC(C#N)CC2)C[C@H](C)C1 ZINC000602711191 349704105 /nfs/dbraw/zinc/70/41/05/349704105.db2.gz PGZUGKPVVMPDRP-NOZYUVCASA-N 1 0 248.414 3.731 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]CC(C1CCC1)C1CCC1 ZINC000602720166 349712619 /nfs/dbraw/zinc/71/26/19/349712619.db2.gz CTVUVEHFSRVUPP-CYBMUJFWSA-N 1 0 248.414 3.732 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]CC(C1CCC1)C1CCC1 ZINC000602720167 349712260 /nfs/dbraw/zinc/71/22/60/349712260.db2.gz CTVUVEHFSRVUPP-ZDUSSCGKSA-N 1 0 248.414 3.732 20 30 BHEDRO CC1(C)CCC[C@@H]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602720638 349713489 /nfs/dbraw/zinc/71/34/89/349713489.db2.gz JYHHUCAPECMDFJ-SHARSMKWSA-N 1 0 248.414 3.875 20 30 BHEDRO CC1(C)CCC[C@H]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602720639 349712933 /nfs/dbraw/zinc/71/29/33/349712933.db2.gz JYHHUCAPECMDFJ-SLTAFYQDSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000602723792 385818971 /nfs/dbraw/zinc/81/89/71/385818971.db2.gz SZZDFRGKAQUGNA-IUDNXUCKSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000602723794 385817985 /nfs/dbraw/zinc/81/79/85/385817985.db2.gz SZZDFRGKAQUGNA-JEYLPNPQSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC(F)(F)C(C)(C)C[NH2+]C[C@H](C)CCC#N ZINC000602724644 349714234 /nfs/dbraw/zinc/71/42/34/349714234.db2.gz JKQPFLZTFKQVJH-LLVKDONJSA-N 1 0 246.345 3.587 20 30 BHEDRO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](C)CCC#N ZINC000602724652 349714292 /nfs/dbraw/zinc/71/42/92/349714292.db2.gz JKQPFLZTFKQVJH-NSHDSACASA-N 1 0 246.345 3.587 20 30 BHEDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602728948 349716710 /nfs/dbraw/zinc/71/67/10/349716710.db2.gz FEPCBAUKEYADOC-LPUOJRKPSA-N 1 0 234.387 3.604 20 30 BHEDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602728949 349717377 /nfs/dbraw/zinc/71/73/77/349717377.db2.gz FEPCBAUKEYADOC-LRPXVYOUSA-N 1 0 234.387 3.604 20 30 BHEDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602728950 349717316 /nfs/dbraw/zinc/71/73/16/349717316.db2.gz FEPCBAUKEYADOC-NMONBKHDSA-N 1 0 234.387 3.604 20 30 BHEDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602728951 349717344 /nfs/dbraw/zinc/71/73/44/349717344.db2.gz FEPCBAUKEYADOC-VUBDOFJKSA-N 1 0 234.387 3.604 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]C[C@H](C)CCC#N ZINC000602734070 349718986 /nfs/dbraw/zinc/71/89/86/349718986.db2.gz NFIGFECURLFKQJ-CYBMUJFWSA-N 1 0 222.376 3.508 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]C[C@@H](C)CCC#N ZINC000602734071 349718977 /nfs/dbraw/zinc/71/89/77/349718977.db2.gz NFIGFECURLFKQJ-ZDUSSCGKSA-N 1 0 222.376 3.508 20 30 BHEDRO Cc1scc(C[NH2+]C2CCC(C#N)CC2)c1C ZINC000602735263 349720705 /nfs/dbraw/zinc/72/07/05/349720705.db2.gz VOILOMGNUUOQAM-UHFFFAOYSA-N 1 0 248.395 3.537 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000602735826 349720787 /nfs/dbraw/zinc/72/07/87/349720787.db2.gz YWVUFVADMDQQSS-UHFFFAOYSA-N 1 0 234.387 3.651 20 30 BHEDRO N#CCC1(C[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000602756937 349732137 /nfs/dbraw/zinc/73/21/37/349732137.db2.gz BBRUOISWAVIWER-HNNXBMFYSA-N 1 0 240.350 3.517 20 30 BHEDRO N#CCC1(C[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000602756939 349732127 /nfs/dbraw/zinc/73/21/27/349732127.db2.gz BBRUOISWAVIWER-OAHLLOKOSA-N 1 0 240.350 3.517 20 30 BHEDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CC1(CC#N)CC1 ZINC000602756971 349732543 /nfs/dbraw/zinc/73/25/43/349732543.db2.gz BXQHOIDVMALEOK-GFCCVEGCSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC1(CC#N)CC1 ZINC000602756974 349732050 /nfs/dbraw/zinc/73/20/50/349732050.db2.gz BXQHOIDVMALEOK-LBPRGKRZSA-N 1 0 246.329 3.512 20 30 BHEDRO N#CCC1(C[N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000602757224 349732586 /nfs/dbraw/zinc/73/25/86/349732586.db2.gz SJSMGTGTMWMZDP-GFCCVEGCSA-N 1 0 246.379 3.579 20 30 BHEDRO N#CCC1(C[N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000602757225 349732503 /nfs/dbraw/zinc/73/25/03/349732503.db2.gz SJSMGTGTMWMZDP-LBPRGKRZSA-N 1 0 246.379 3.579 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000602757272 349731970 /nfs/dbraw/zinc/73/19/70/349731970.db2.gz HASMVVIUMZXPFA-CHWSQXEVSA-N 1 0 224.392 3.540 20 30 BHEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000602757274 349732626 /nfs/dbraw/zinc/73/26/26/349732626.db2.gz HASMVVIUMZXPFA-OLZOCXBDSA-N 1 0 224.392 3.540 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000602757277 349732057 /nfs/dbraw/zinc/73/20/57/349732057.db2.gz HASMVVIUMZXPFA-QWHCGFSZSA-N 1 0 224.392 3.540 20 30 BHEDRO C[C@@H](C[N@@H+](C)C[C@@H](C)CCC#N)C(C)(C)C ZINC000602757279 349732019 /nfs/dbraw/zinc/73/20/19/349732019.db2.gz HASMVVIUMZXPFA-STQMWFEESA-N 1 0 224.392 3.540 20 30 BHEDRO CC[N@H+](Cc1ccccc1C)CC1(CC#N)CC1 ZINC000602758926 349732374 /nfs/dbraw/zinc/73/23/74/349732374.db2.gz HYEJXGKTQXIXFP-UHFFFAOYSA-N 1 0 242.366 3.511 20 30 BHEDRO N#CCC1(C[N@@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000602763148 349733176 /nfs/dbraw/zinc/73/31/76/349733176.db2.gz NJEYQSFEKRZCGM-CYBMUJFWSA-N 1 0 246.379 3.579 20 30 BHEDRO N#CCC1(C[N@@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000602763149 349733219 /nfs/dbraw/zinc/73/32/19/349733219.db2.gz NJEYQSFEKRZCGM-ZDUSSCGKSA-N 1 0 246.379 3.579 20 30 BHEDRO Cc1ccc([C@H](C)[N@H+](C)CC2(CC#N)CC2)cc1 ZINC000602764247 349734622 /nfs/dbraw/zinc/73/46/22/349734622.db2.gz VNHVMOOJKCZOJI-AWEZNQCLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccc([C@@H](C)[N@H+](C)CC2(CC#N)CC2)cc1 ZINC000602764253 349734877 /nfs/dbraw/zinc/73/48/77/349734877.db2.gz VNHVMOOJKCZOJI-CQSZACIVSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602764267 349734468 /nfs/dbraw/zinc/73/44/68/349734468.db2.gz OQUXHRQJCSFPTN-AWEZNQCLSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602764269 349734732 /nfs/dbraw/zinc/73/47/32/349734732.db2.gz OQUXHRQJCSFPTN-CQSZACIVSA-N 1 0 242.366 3.682 20 30 BHEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602765193 349721508 /nfs/dbraw/zinc/72/15/08/349721508.db2.gz HUNYAWPLPDFTBR-CYBMUJFWSA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602765194 349721591 /nfs/dbraw/zinc/72/15/91/349721591.db2.gz HUNYAWPLPDFTBR-ZDUSSCGKSA-N 1 0 234.387 3.581 20 30 BHEDRO CC[C@@H](C)[C@@H](C)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602772641 385820789 /nfs/dbraw/zinc/82/07/89/385820789.db2.gz MIZHIBTXDLWGJG-CHWSQXEVSA-N 1 0 234.387 3.579 20 30 BHEDRO CC[C@@H](C)[C@H](C)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602772643 385819904 /nfs/dbraw/zinc/81/99/04/385819904.db2.gz MIZHIBTXDLWGJG-OLZOCXBDSA-N 1 0 234.387 3.579 20 30 BHEDRO CC[C@H](C)[C@@H](C)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602772645 385820143 /nfs/dbraw/zinc/82/01/43/385820143.db2.gz MIZHIBTXDLWGJG-QWHCGFSZSA-N 1 0 234.387 3.579 20 30 BHEDRO CC[C@H](C)[C@H](C)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602772647 385820413 /nfs/dbraw/zinc/82/04/13/385820413.db2.gz MIZHIBTXDLWGJG-STQMWFEESA-N 1 0 234.387 3.579 20 30 BHEDRO CC(C)[N@H+](CC1(CC#N)CC1)C1CCCCC1 ZINC000602785808 349749667 /nfs/dbraw/zinc/74/96/67/349749667.db2.gz CTDVDQYATXNKAS-UHFFFAOYSA-N 1 0 234.387 3.723 20 30 BHEDRO N#CCC1(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000602786104 349750680 /nfs/dbraw/zinc/75/06/80/349750680.db2.gz MDMHOWPMZDIDOF-HNNXBMFYSA-N 1 0 244.382 3.503 20 30 BHEDRO N#CCC1(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000602786107 349750818 /nfs/dbraw/zinc/75/08/18/349750818.db2.gz MDMHOWPMZDIDOF-OAHLLOKOSA-N 1 0 244.382 3.503 20 30 BHEDRO Cc1cccc(C(C)(C)[NH2+]CC2(CC#N)CC2)c1 ZINC000602806961 349769687 /nfs/dbraw/zinc/76/96/87/349769687.db2.gz RCCNDLGNTCSZJS-UHFFFAOYSA-N 1 0 242.366 3.514 20 30 BHEDRO CCCC[C@H]([NH2+]CC1(CC#N)CC1)C1CCC1 ZINC000602807855 349770456 /nfs/dbraw/zinc/77/04/56/349770456.db2.gz WZPBLEPWIFNMDE-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCC[C@@H]([NH2+]CC1(CC#N)CC1)C1CCC1 ZINC000602807863 349770752 /nfs/dbraw/zinc/77/07/52/349770752.db2.gz WZPBLEPWIFNMDE-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO C[N@H+](CC1(CC#N)CC1)C(C)(C)c1ccccc1 ZINC000602827076 349765749 /nfs/dbraw/zinc/76/57/49/349765749.db2.gz NXNZAMCDMSVGMD-UHFFFAOYSA-N 1 0 242.366 3.547 20 30 BHEDRO Cc1ccccc1C(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000602831528 349767770 /nfs/dbraw/zinc/76/77/70/349767770.db2.gz IVRBXCPJISMIIH-UHFFFAOYSA-N 1 0 242.366 3.514 20 30 BHEDRO CC(C)[N@H+](CC1(CC#N)CC1)C1CC(C)(C)C1 ZINC000602839324 349778722 /nfs/dbraw/zinc/77/87/22/349778722.db2.gz YGNJFVCSYQSDPG-UHFFFAOYSA-N 1 0 234.387 3.579 20 30 BHEDRO Cc1ccc2ccccc2c1C[NH2+][C@H](C)CC#N ZINC000602862937 349774371 /nfs/dbraw/zinc/77/43/71/349774371.db2.gz NAVNCFNUKVTRCN-CYBMUJFWSA-N 1 0 238.334 3.540 20 30 BHEDRO Cc1ccc2ccccc2c1C[NH2+][C@@H](C)CC#N ZINC000602863030 349774658 /nfs/dbraw/zinc/77/46/58/349774658.db2.gz NAVNCFNUKVTRCN-ZDUSSCGKSA-N 1 0 238.334 3.540 20 30 BHEDRO C=CCC1([NH2+]CC2(CC#N)CC2)CCCCC1 ZINC000602915293 398083617 /nfs/dbraw/zinc/08/36/17/398083617.db2.gz MNVZYICPNSIXLO-UHFFFAOYSA-N 1 0 232.371 3.549 20 30 BHEDRO C=CCCCCC[NH+]1CCC(SC)CC1 ZINC000602921670 349811240 /nfs/dbraw/zinc/81/12/40/349811240.db2.gz WVSDHCGAQVWLMG-UHFFFAOYSA-N 1 0 227.417 3.560 20 30 BHEDRO C=CCCC[C@@H](C)[NH+]1CCC(SC)CC1 ZINC000602923164 349810450 /nfs/dbraw/zinc/81/04/50/349810450.db2.gz RCPGLSZZBDMJKN-GFCCVEGCSA-N 1 0 227.417 3.559 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1CCC(SC)CC1 ZINC000602923165 349810499 /nfs/dbraw/zinc/81/04/99/349810499.db2.gz RCPGLSZZBDMJKN-LBPRGKRZSA-N 1 0 227.417 3.559 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602926167 349820616 /nfs/dbraw/zinc/82/06/16/349820616.db2.gz NFEKWWCTSZLCRN-CYBMUJFWSA-N 1 0 246.354 3.602 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602926168 349820635 /nfs/dbraw/zinc/82/06/35/349820635.db2.gz NFEKWWCTSZLCRN-ZDUSSCGKSA-N 1 0 246.354 3.602 20 30 BHEDRO CC[C@](C)([NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000602926459 349820657 /nfs/dbraw/zinc/82/06/57/349820657.db2.gz NUNDHGHMBPINJX-HNNXBMFYSA-N 1 0 248.345 3.734 20 30 BHEDRO CC[C@@](C)([NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000602926460 349820432 /nfs/dbraw/zinc/82/04/32/349820432.db2.gz NUNDHGHMBPINJX-OAHLLOKOSA-N 1 0 248.345 3.734 20 30 BHEDRO C[N@H+](CCC1=CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602982869 349834910 /nfs/dbraw/zinc/83/49/10/349834910.db2.gz ZJYZSLYOMCLLSR-CABCVRRESA-N 1 0 232.371 3.501 20 30 BHEDRO C[N@H+](CCC1=CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602982870 349834751 /nfs/dbraw/zinc/83/47/51/349834751.db2.gz ZJYZSLYOMCLLSR-GJZGRUSLSA-N 1 0 232.371 3.501 20 30 BHEDRO C[N@H+](CCC1=CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982871 349835154 /nfs/dbraw/zinc/83/51/54/349835154.db2.gz ZJYZSLYOMCLLSR-HUUCEWRRSA-N 1 0 232.371 3.501 20 30 BHEDRO C[N@H+](CCC1=CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602982872 349835420 /nfs/dbraw/zinc/83/54/20/349835420.db2.gz ZJYZSLYOMCLLSR-LSDHHAIUSA-N 1 0 232.371 3.501 20 30 BHEDRO CC(C)(C#N)CCCC[NH+]1CCC(C)(F)CC1 ZINC000602992625 349847937 /nfs/dbraw/zinc/84/79/37/349847937.db2.gz ATIXKIZVTNIWSA-UHFFFAOYSA-N 1 0 240.366 3.530 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000602999371 349852096 /nfs/dbraw/zinc/85/20/96/349852096.db2.gz GFHGTDACNCIERI-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CCCCC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000602999372 349852281 /nfs/dbraw/zinc/85/22/81/349852281.db2.gz GFHGTDACNCIERI-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C3CCC3)CC2)C1 ZINC000603000305 349852127 /nfs/dbraw/zinc/85/21/27/349852127.db2.gz ZRLUIOWUSFYVRZ-BMFZPTHFSA-N 1 0 246.398 3.581 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C3CCC3)CC2)C1 ZINC000603000306 349851971 /nfs/dbraw/zinc/85/19/71/349851971.db2.gz ZRLUIOWUSFYVRZ-FVQBIDKESA-N 1 0 246.398 3.581 20 30 BHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C3CCC3)CC2)C1 ZINC000603000307 349852076 /nfs/dbraw/zinc/85/20/76/349852076.db2.gz ZRLUIOWUSFYVRZ-KBMXLJTQSA-N 1 0 246.398 3.581 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](C3CCC3)CC2)C1 ZINC000603000308 349852322 /nfs/dbraw/zinc/85/23/22/349852322.db2.gz ZRLUIOWUSFYVRZ-VNQPRFMTSA-N 1 0 246.398 3.581 20 30 BHEDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCCCC#N ZINC000603030148 349860097 /nfs/dbraw/zinc/86/00/97/349860097.db2.gz RYQXICCFASNSTB-HNNXBMFYSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCCCC#N ZINC000603030150 349859838 /nfs/dbraw/zinc/85/98/38/349859838.db2.gz RYQXICCFASNSTB-OAHLLOKOSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000603429869 349951952 /nfs/dbraw/zinc/95/19/52/349951952.db2.gz SSTMSWVUPKANKN-AJNGGQMLSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000603429870 349951754 /nfs/dbraw/zinc/95/17/54/349951754.db2.gz SSTMSWVUPKANKN-BARDWOONSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000603429871 349951942 /nfs/dbraw/zinc/95/19/42/349951942.db2.gz SSTMSWVUPKANKN-QPSCCSFWSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000603429872 349951374 /nfs/dbraw/zinc/95/13/74/349951374.db2.gz SSTMSWVUPKANKN-XQLPTFJDSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(C)C ZINC000603602044 350001608 /nfs/dbraw/zinc/00/16/08/350001608.db2.gz WOUQISAOCVWGMM-AWEZNQCLSA-N 1 0 242.366 3.591 20 30 BHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(C)C ZINC000603602045 350001575 /nfs/dbraw/zinc/00/15/75/350001575.db2.gz WOUQISAOCVWGMM-CQSZACIVSA-N 1 0 242.366 3.591 20 30 BHEDRO C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000603944069 350057882 /nfs/dbraw/zinc/05/78/82/350057882.db2.gz GFADNXRWPPYXIB-HNNXBMFYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000603944076 350057931 /nfs/dbraw/zinc/05/79/31/350057931.db2.gz GFADNXRWPPYXIB-OAHLLOKOSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc2c(c1)CCC2 ZINC000604382960 350121456 /nfs/dbraw/zinc/12/14/56/350121456.db2.gz MPOSWJVZMDZYIA-UHFFFAOYSA-N 1 0 229.367 3.573 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000604383670 350121821 /nfs/dbraw/zinc/12/18/21/350121821.db2.gz LVUMVDGZKWUCCP-UHFFFAOYSA-N 1 0 241.378 3.573 20 30 BHEDRO CCC(CC)[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000604434787 370040403 /nfs/dbraw/zinc/04/04/03/370040403.db2.gz IWUUSDCEYPQTHD-UHFFFAOYSA-N 1 0 242.366 3.711 20 30 BHEDRO CCC[NH+](CCC)[C@H](C)c1ccc(C#N)cc1 ZINC000604492867 388652513 /nfs/dbraw/zinc/65/25/13/388652513.db2.gz LKAAJNYNGQVTTA-CYBMUJFWSA-N 1 0 230.355 3.741 20 30 BHEDRO CCC[NH+](CCC)[C@@H](C)c1ccc(C#N)cc1 ZINC000604492868 388652700 /nfs/dbraw/zinc/65/27/00/388652700.db2.gz LKAAJNYNGQVTTA-ZDUSSCGKSA-N 1 0 230.355 3.741 20 30 BHEDRO CCCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000604493548 388652177 /nfs/dbraw/zinc/65/21/77/388652177.db2.gz DZQFCMAQCODNBD-UHFFFAOYSA-N 1 0 244.382 3.816 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@H](C)c1ccccc1 ZINC000604883997 350196367 /nfs/dbraw/zinc/19/63/67/350196367.db2.gz VQFFXPNEZPZPAL-AWEZNQCLSA-N 1 0 217.356 3.688 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@@H](C)c1ccccc1 ZINC000604883998 350196166 /nfs/dbraw/zinc/19/61/66/350196166.db2.gz VQFFXPNEZPZPAL-CQSZACIVSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CC1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000604885258 350193946 /nfs/dbraw/zinc/19/39/46/350193946.db2.gz UEGPTOIPIVHDQG-AWEZNQCLSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CC1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000604885259 350194492 /nfs/dbraw/zinc/19/44/92/350194492.db2.gz UEGPTOIPIVHDQG-CQSZACIVSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000604998621 350234690 /nfs/dbraw/zinc/23/46/90/350234690.db2.gz KMLZSRNRSVHTJW-UHFFFAOYSA-N 1 0 229.367 3.647 20 30 BHEDRO C=CCCC[N@@H+](C)CCOc1cc(C)cc(C)c1 ZINC000605149610 350258120 /nfs/dbraw/zinc/25/81/20/350258120.db2.gz CQDLUBDFKRYBRP-UHFFFAOYSA-N 1 0 247.382 3.580 20 30 BHEDRO C=CCCC[N@@H+](CCC)Cc1ccccc1 ZINC000605149613 350258252 /nfs/dbraw/zinc/25/82/52/350258252.db2.gz DEVYIUINSBWKIQ-UHFFFAOYSA-N 1 0 217.356 3.865 20 30 BHEDRO C=CCCC[N@@H+]1CCc2sccc2[C@H]1C ZINC000605149622 350258335 /nfs/dbraw/zinc/25/83/35/350258335.db2.gz GGCDYWDMXXTQRC-LLVKDONJSA-N 1 0 221.369 3.633 20 30 BHEDRO C=CCCC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000605149623 350258234 /nfs/dbraw/zinc/25/82/34/350258234.db2.gz GGCDYWDMXXTQRC-NSHDSACASA-N 1 0 221.369 3.633 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(CC)cc1 ZINC000605149628 350258473 /nfs/dbraw/zinc/25/84/73/350258473.db2.gz GTEUGMKCMSEXER-UHFFFAOYSA-N 1 0 217.356 3.647 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000605149632 350258425 /nfs/dbraw/zinc/25/84/25/350258425.db2.gz HTIYXWBZNMQRIW-GFCCVEGCSA-N 1 0 221.369 3.851 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000605149633 350258412 /nfs/dbraw/zinc/25/84/12/350258412.db2.gz HTIYXWBZNMQRIW-LBPRGKRZSA-N 1 0 221.369 3.851 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000605149673 350258730 /nfs/dbraw/zinc/25/87/30/350258730.db2.gz PHAGMTWGXFNLJB-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000605149684 350258518 /nfs/dbraw/zinc/25/85/18/350258518.db2.gz RXGVLAQSFZBLKB-INIZCTEOSA-N 1 0 229.367 3.962 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000605149685 350258639 /nfs/dbraw/zinc/25/86/39/350258639.db2.gz RXGVLAQSFZBLKB-MRXNPFEDSA-N 1 0 229.367 3.962 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000605149698 350258163 /nfs/dbraw/zinc/25/81/63/350258163.db2.gz UOXGMGOXPCCBIP-INIZCTEOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000605149699 350258497 /nfs/dbraw/zinc/25/84/97/350258497.db2.gz UOXGMGOXPCCBIP-MRXNPFEDSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CCCC[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000605149713 350258655 /nfs/dbraw/zinc/25/86/55/350258655.db2.gz YARHVPMOTASIHP-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000605149722 350258299 /nfs/dbraw/zinc/25/82/99/350258299.db2.gz CFHAUTXJBFWNQY-INIZCTEOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000605149723 350258585 /nfs/dbraw/zinc/25/85/85/350258585.db2.gz CFHAUTXJBFWNQY-MRXNPFEDSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000605149728 350258393 /nfs/dbraw/zinc/25/83/93/350258393.db2.gz CMHBZWYHTNYYEQ-GFCCVEGCSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000605149729 350258399 /nfs/dbraw/zinc/25/83/99/350258399.db2.gz CMHBZWYHTNYYEQ-LBPRGKRZSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CCCC[N@H+](Cc1ccccc1)C1CC1 ZINC000605149740 350258201 /nfs/dbraw/zinc/25/82/01/350258201.db2.gz FTNVPQRNJVMDLA-UHFFFAOYSA-N 1 0 215.340 3.617 20 30 BHEDRO C=CCCC[N@H+](Cc1ccccc1)C(C)C ZINC000605149741 350258528 /nfs/dbraw/zinc/25/85/28/350258528.db2.gz GFFONBMTEJDXRU-UHFFFAOYSA-N 1 0 217.356 3.863 20 30 BHEDRO C=CCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000605149773 350258071 /nfs/dbraw/zinc/25/80/71/350258071.db2.gz OIRQVBXRGWOBSH-UHFFFAOYSA-N 1 0 229.367 3.832 20 30 BHEDRO C=CCCC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000605149776 350258598 /nfs/dbraw/zinc/25/85/98/350258598.db2.gz OQGVFZFRBSTIOJ-UHFFFAOYSA-N 1 0 245.341 3.881 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000605149789 350258702 /nfs/dbraw/zinc/25/87/02/350258702.db2.gz RYRIURXVYWZBFI-HNNXBMFYSA-N 1 0 215.340 3.790 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000605149790 350258305 /nfs/dbraw/zinc/25/83/05/350258305.db2.gz RYRIURXVYWZBFI-OAHLLOKOSA-N 1 0 215.340 3.790 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000605149803 350259405 /nfs/dbraw/zinc/25/94/05/350259405.db2.gz UXQOOOXHWXAGCS-LLVKDONJSA-N 1 0 239.309 3.924 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000605149804 350259351 /nfs/dbraw/zinc/25/93/51/350259351.db2.gz UXQOOOXHWXAGCS-NSHDSACASA-N 1 0 239.309 3.924 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000605149807 350259258 /nfs/dbraw/zinc/25/92/58/350259258.db2.gz VNJVMUKFVFMTCO-HNNXBMFYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000605149808 350259450 /nfs/dbraw/zinc/25/94/50/350259450.db2.gz VNJVMUKFVFMTCO-OAHLLOKOSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000605149823 350259331 /nfs/dbraw/zinc/25/93/31/350259331.db2.gz YRQPAJNGTWZYEK-HNNXBMFYSA-N 1 0 233.330 3.929 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000605149824 350259484 /nfs/dbraw/zinc/25/94/84/350259484.db2.gz YRQPAJNGTWZYEK-OAHLLOKOSA-N 1 0 233.330 3.929 20 30 BHEDRO C=CCCC[N@@H+](CC)CCc1ccccc1 ZINC000605149844 350258878 /nfs/dbraw/zinc/25/88/78/350258878.db2.gz CKHSGCXRELXXQN-UHFFFAOYSA-N 1 0 217.356 3.517 20 30 BHEDRO C=CCCC[N@H+](C1CC1)C1CCCCC1 ZINC000605149900 350259382 /nfs/dbraw/zinc/25/93/82/350259382.db2.gz MVUTVUUJROFFKP-UHFFFAOYSA-N 1 0 207.361 3.750 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000605149913 350258987 /nfs/dbraw/zinc/25/89/87/350258987.db2.gz PLOFNWNIFJEXBI-INIZCTEOSA-N 1 0 247.357 3.799 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000605149914 350259235 /nfs/dbraw/zinc/25/92/35/350259235.db2.gz PLOFNWNIFJEXBI-MRXNPFEDSA-N 1 0 247.357 3.799 20 30 BHEDRO C=CCCC[N@H+](C)CCCCc1ccccc1 ZINC000605149944 350259045 /nfs/dbraw/zinc/25/90/45/350259045.db2.gz SYGAMXITHIRLJZ-UHFFFAOYSA-N 1 0 231.383 3.907 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000605149957 350258915 /nfs/dbraw/zinc/25/89/15/350258915.db2.gz WJNWDIVSGBBSDP-AWEZNQCLSA-N 1 0 217.356 3.954 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000605149958 350259575 /nfs/dbraw/zinc/25/95/75/350259575.db2.gz WJNWDIVSGBBSDP-CQSZACIVSA-N 1 0 217.356 3.954 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccccc1C ZINC000605149964 350258857 /nfs/dbraw/zinc/25/88/57/350258857.db2.gz WRUFXEVRJXFNDQ-UHFFFAOYSA-N 1 0 217.356 3.783 20 30 BHEDRO C=CCCC[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000605149970 350259393 /nfs/dbraw/zinc/25/93/93/350259393.db2.gz YMIFIWBHGYBLPM-UHFFFAOYSA-N 1 0 219.328 3.519 20 30 BHEDRO C=CCCC[N@H+](CC1CCCCC1)C1CC1 ZINC000605149976 350258888 /nfs/dbraw/zinc/25/88/88/350258888.db2.gz ABDTWAHFJZVKDS-UHFFFAOYSA-N 1 0 221.388 3.997 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000605149988 350258978 /nfs/dbraw/zinc/25/89/78/350258978.db2.gz BQBWAKXSSXKFJU-HNNXBMFYSA-N 1 0 233.330 3.929 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000605149989 350258949 /nfs/dbraw/zinc/25/89/49/350258949.db2.gz BQBWAKXSSXKFJU-OAHLLOKOSA-N 1 0 233.330 3.929 20 30 BHEDRO C=CCCC[N@H+](CC=C)Cc1ccc(OC)cc1 ZINC000605149990 350259472 /nfs/dbraw/zinc/25/94/72/350259472.db2.gz BQWLDIIRPZBVFI-UHFFFAOYSA-N 1 0 245.366 3.649 20 30 BHEDRO C=CCCC[N@H+](C)CCCOc1ccccc1C ZINC000605150010 350259545 /nfs/dbraw/zinc/25/95/45/350259545.db2.gz DORJRBMASSDZAE-UHFFFAOYSA-N 1 0 247.382 3.662 20 30 BHEDRO C=CCCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000605150012 350259244 /nfs/dbraw/zinc/25/92/44/350259244.db2.gz DWTJYSRUQCPJFA-UHFFFAOYSA-N 1 0 221.388 3.996 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000605150033 350259479 /nfs/dbraw/zinc/25/94/79/350259479.db2.gz GIAQFNMPUWOHCF-AWEZNQCLSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000605150034 350258927 /nfs/dbraw/zinc/25/89/27/350258927.db2.gz GIAQFNMPUWOHCF-CQSZACIVSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCC[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000605150038 350259565 /nfs/dbraw/zinc/25/95/65/350259565.db2.gz HGEQUWWEXTXOIK-UHFFFAOYSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000605150076 350259464 /nfs/dbraw/zinc/25/94/64/350259464.db2.gz NKMSFVZASOOTGH-LLVKDONJSA-N 1 0 239.309 3.924 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000605150077 350259410 /nfs/dbraw/zinc/25/94/10/350259410.db2.gz NKMSFVZASOOTGH-NSHDSACASA-N 1 0 239.309 3.924 20 30 BHEDRO C=CCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000605150082 350259119 /nfs/dbraw/zinc/25/91/19/350259119.db2.gz OFQPIGRJEPGAAH-UHFFFAOYSA-N 1 0 233.355 3.990 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000605150092 350259170 /nfs/dbraw/zinc/25/91/70/350259170.db2.gz PPDGDVFLLCIFRR-AWEZNQCLSA-N 1 0 217.356 3.954 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC000605150093 350259444 /nfs/dbraw/zinc/25/94/44/350259444.db2.gz PPDGDVFLLCIFRR-CQSZACIVSA-N 1 0 217.356 3.954 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000605150106 350260365 /nfs/dbraw/zinc/26/03/65/350260365.db2.gz RDWBTGNUIXMSQG-INIZCTEOSA-N 1 0 247.357 3.799 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000605150107 350260127 /nfs/dbraw/zinc/26/01/27/350260127.db2.gz RDWBTGNUIXMSQG-MRXNPFEDSA-N 1 0 247.357 3.799 20 30 BHEDRO C=CCCC[N@@H+](CC)CCc1cccs1 ZINC000605150167 350260465 /nfs/dbraw/zinc/26/04/65/350260465.db2.gz DRJZRGUJZLXOME-UHFFFAOYSA-N 1 0 223.385 3.579 20 30 BHEDRO C=CCCC[N@@H+](CC=C)CCc1ccccc1 ZINC000605150213 350260319 /nfs/dbraw/zinc/26/03/19/350260319.db2.gz KZPVFZKEJRNZLG-UHFFFAOYSA-N 1 0 229.367 3.683 20 30 BHEDRO C=CCCC[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC000605150214 350260131 /nfs/dbraw/zinc/26/01/31/350260131.db2.gz KZQFEQXOKNTVON-UHFFFAOYSA-N 1 0 247.382 3.873 20 30 BHEDRO C=CCCC[N@@H+](CC(C)C)C1CCCC1 ZINC000605150248 350260528 /nfs/dbraw/zinc/26/05/28/350260528.db2.gz RUKNQZUBGMITHB-UHFFFAOYSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000605150260 350260000 /nfs/dbraw/zinc/26/00/00/350260000.db2.gz UEHIFGHMGKVFBI-CYBMUJFWSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000605150261 350260372 /nfs/dbraw/zinc/26/03/72/350260372.db2.gz UEHIFGHMGKVFBI-ZDUSSCGKSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCCC[N@H+](CC1CC1)C1CCCCC1 ZINC000605150308 350260458 /nfs/dbraw/zinc/26/04/58/350260458.db2.gz FRMKTNNAMSETNX-UHFFFAOYSA-N 1 0 221.388 3.997 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1c(F)cccc1F ZINC000605150313 350260146 /nfs/dbraw/zinc/26/01/46/350260146.db2.gz HDSKLSGVTHBBSA-UHFFFAOYSA-N 1 0 239.309 3.753 20 30 BHEDRO C=CCCC[N@@H+](C)CCC1CCCCC1 ZINC000605150322 350260175 /nfs/dbraw/zinc/26/01/75/350260175.db2.gz ICAHRCVQRDGRAG-UHFFFAOYSA-N 1 0 209.377 3.855 20 30 BHEDRO C=CCCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000605150340 350260041 /nfs/dbraw/zinc/26/00/41/350260041.db2.gz JULZVLMLZNTYAO-UHFFFAOYSA-N 1 0 233.330 3.761 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000605150352 350260171 /nfs/dbraw/zinc/26/01/71/350260171.db2.gz MXAQELFJVPYYQA-UHFFFAOYSA-N 1 0 247.382 3.710 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000605150362 350259994 /nfs/dbraw/zinc/25/99/94/350259994.db2.gz OJYZRUPVVHCTKT-HNNXBMFYSA-N 1 0 229.367 3.751 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000605150363 350260536 /nfs/dbraw/zinc/26/05/36/350260536.db2.gz OJYZRUPVVHCTKT-OAHLLOKOSA-N 1 0 229.367 3.751 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000605150375 350260334 /nfs/dbraw/zinc/26/03/34/350260334.db2.gz PSMOIIWLMIHUFF-AWEZNQCLSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000605150376 350260301 /nfs/dbraw/zinc/26/03/01/350260301.db2.gz PSMOIIWLMIHUFF-CQSZACIVSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CCCC[N@@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000605150583 350261163 /nfs/dbraw/zinc/26/11/63/350261163.db2.gz BKDYWMMISZBWHO-CHWSQXEVSA-N 1 0 209.377 3.852 20 30 BHEDRO C=CCCC[N@@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000605150584 350261543 /nfs/dbraw/zinc/26/15/43/350261543.db2.gz BKDYWMMISZBWHO-OLZOCXBDSA-N 1 0 209.377 3.852 20 30 BHEDRO C=CCCC[N@@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000605150585 350261581 /nfs/dbraw/zinc/26/15/81/350261581.db2.gz BKDYWMMISZBWHO-QWHCGFSZSA-N 1 0 209.377 3.852 20 30 BHEDRO C=CCCC[N@@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000605150586 350261264 /nfs/dbraw/zinc/26/12/64/350261264.db2.gz BKDYWMMISZBWHO-STQMWFEESA-N 1 0 209.377 3.852 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000605150808 350261239 /nfs/dbraw/zinc/26/12/39/350261239.db2.gz GXXZIVROONIMOU-UHFFFAOYSA-N 1 0 241.737 3.877 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000605150842 350261528 /nfs/dbraw/zinc/26/15/28/350261528.db2.gz MHHGHHSWQMJFNI-KRWDZBQOSA-N 1 0 243.394 3.907 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000605150843 350261330 /nfs/dbraw/zinc/26/13/30/350261330.db2.gz MHHGHHSWQMJFNI-QGZVFWFLSA-N 1 0 243.394 3.907 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000605150899 350261962 /nfs/dbraw/zinc/26/19/62/350261962.db2.gz AETOIEWLIUPOJJ-KRWDZBQOSA-N 1 0 243.394 3.968 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000605150900 350262045 /nfs/dbraw/zinc/26/20/45/350262045.db2.gz AETOIEWLIUPOJJ-QGZVFWFLSA-N 1 0 243.394 3.968 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000605150908 350262399 /nfs/dbraw/zinc/26/23/99/350262399.db2.gz BGSYDHLOFYNZDZ-KKUMJFAQSA-N 1 0 221.388 3.853 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000605150909 350261981 /nfs/dbraw/zinc/26/19/81/350261981.db2.gz BGSYDHLOFYNZDZ-RRFJBIMHSA-N 1 0 221.388 3.853 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000605150910 350262406 /nfs/dbraw/zinc/26/24/06/350262406.db2.gz BGSYDHLOFYNZDZ-SOUVJXGZSA-N 1 0 221.388 3.853 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000605150911 350262375 /nfs/dbraw/zinc/26/23/75/350262375.db2.gz BGSYDHLOFYNZDZ-ZNMIVQPWSA-N 1 0 221.388 3.853 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000605150927 350262494 /nfs/dbraw/zinc/26/24/94/350262494.db2.gz FYWGQVHBZHPBKK-HNNXBMFYSA-N 1 0 219.372 3.775 20 30 BHEDRO C=CCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000605150928 350262460 /nfs/dbraw/zinc/26/24/60/350262460.db2.gz FYWGQVHBZHPBKK-OAHLLOKOSA-N 1 0 219.372 3.775 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000605150955 350261879 /nfs/dbraw/zinc/26/18/79/350261879.db2.gz JPFPYHXERCLAON-KRWDZBQOSA-N 1 0 243.394 3.968 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000605150956 350262246 /nfs/dbraw/zinc/26/22/46/350262246.db2.gz JPFPYHXERCLAON-QGZVFWFLSA-N 1 0 243.394 3.968 20 30 BHEDRO C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000605150973 350262179 /nfs/dbraw/zinc/26/21/79/350262179.db2.gz NQJTXDQJJGDIGZ-INIZCTEOSA-N 1 0 229.367 3.962 20 30 BHEDRO C=CCCC[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000605150974 350262445 /nfs/dbraw/zinc/26/24/45/350262445.db2.gz NQJTXDQJJGDIGZ-MRXNPFEDSA-N 1 0 229.367 3.962 20 30 BHEDRO C=CCCC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000605150978 350262113 /nfs/dbraw/zinc/26/21/13/350262113.db2.gz OPHSOIDGKKVBOM-GDBMZVCRSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000605150979 350262490 /nfs/dbraw/zinc/26/24/90/350262490.db2.gz OPHSOIDGKKVBOM-GOEBONIOSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000605150980 350261937 /nfs/dbraw/zinc/26/19/37/350261937.db2.gz OPHSOIDGKKVBOM-HOCLYGCPSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCCC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000605150981 350262006 /nfs/dbraw/zinc/26/20/06/350262006.db2.gz OPHSOIDGKKVBOM-ZBFHGGJFSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CCCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000605150990 350261955 /nfs/dbraw/zinc/26/19/55/350261955.db2.gz QKXSBIFRIYUKFL-HNNXBMFYSA-N 1 0 247.407 3.743 20 30 BHEDRO C=CCCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000605150991 350262423 /nfs/dbraw/zinc/26/24/23/350262423.db2.gz QKXSBIFRIYUKFL-OAHLLOKOSA-N 1 0 247.407 3.743 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000605150994 350262435 /nfs/dbraw/zinc/26/24/35/350262435.db2.gz RHIYREZFIAGJFJ-AWEZNQCLSA-N 1 0 209.377 3.711 20 30 BHEDRO C=CCCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000605150995 350262481 /nfs/dbraw/zinc/26/24/81/350262481.db2.gz RHIYREZFIAGJFJ-CQSZACIVSA-N 1 0 209.377 3.711 20 30 BHEDRO C=CCCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000605150998 350262095 /nfs/dbraw/zinc/26/20/95/350262095.db2.gz RWTCCDDTAJHBGO-UHFFFAOYSA-N 1 0 247.357 3.799 20 30 BHEDRO C=CCCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605154430 350264489 /nfs/dbraw/zinc/26/44/89/350264489.db2.gz QSGLUOYQRPPNDB-HNNXBMFYSA-N 1 0 247.407 3.743 20 30 BHEDRO C=CCCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154431 350264516 /nfs/dbraw/zinc/26/45/16/350264516.db2.gz QSGLUOYQRPPNDB-OAHLLOKOSA-N 1 0 247.407 3.743 20 30 BHEDRO C=C(C)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000605575838 346036388 /nfs/dbraw/zinc/03/63/88/346036388.db2.gz GLIMNNZWLIHKDY-UHFFFAOYSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CCCCN(C)c1cc[nH+]c2cc(F)ccc21 ZINC000605698697 347418426 /nfs/dbraw/zinc/41/84/26/347418426.db2.gz MGSRKYNLCSNUNF-UHFFFAOYSA-N 1 0 244.313 3.776 20 30 BHEDRO C=CCCCN(C)c1cc[nH+]c2ccccc21 ZINC000605698762 347418547 /nfs/dbraw/zinc/41/85/47/347418547.db2.gz QPFNTRDRHFSYCJ-UHFFFAOYSA-N 1 0 226.323 3.637 20 30 BHEDRO C=CCCC[N@@H+](C)CCc1ccccc1Cl ZINC000605737753 347431665 /nfs/dbraw/zinc/43/16/65/347431665.db2.gz WVLDEEUUXZYNIO-UHFFFAOYSA-N 1 0 237.774 3.781 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000605738763 347432550 /nfs/dbraw/zinc/43/25/50/347432550.db2.gz PEJVFKALLJJVFC-UHFFFAOYSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CCCC[N@@H+](C)CCc1ccc(CC)cc1 ZINC000605738778 347432457 /nfs/dbraw/zinc/43/24/57/347432457.db2.gz URTVBAKERSZAKL-UHFFFAOYSA-N 1 0 231.383 3.690 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000605738792 347432660 /nfs/dbraw/zinc/43/26/60/347432660.db2.gz XRDAXMCFMZUMCL-UHFFFAOYSA-N 1 0 229.367 3.573 20 30 BHEDRO C=CCCC[N@@H+](C)CCSc1ccccc1 ZINC000605738798 347432684 /nfs/dbraw/zinc/43/26/84/347432684.db2.gz ZTYRYHDKXSQXKS-UHFFFAOYSA-N 1 0 235.396 3.677 20 30 BHEDRO C=CCCC[N@@H+](C)CCOc1cc(C)ccc1C ZINC000605740666 347433503 /nfs/dbraw/zinc/43/35/03/347433503.db2.gz FHCGKSILTFUDSZ-UHFFFAOYSA-N 1 0 247.382 3.580 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000605740718 347433272 /nfs/dbraw/zinc/43/32/72/347433272.db2.gz UVZYNWBTMRNQDO-UHFFFAOYSA-N 1 0 217.356 3.701 20 30 BHEDRO C=CCCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605768415 347442421 /nfs/dbraw/zinc/44/24/21/347442421.db2.gz MSUJUDOGQKSERK-DZGCQCFKSA-N 1 0 247.357 3.970 20 30 BHEDRO C=CCCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000605768417 347442486 /nfs/dbraw/zinc/44/24/86/347442486.db2.gz MSUJUDOGQKSERK-HIFRSBDPSA-N 1 0 247.357 3.970 20 30 BHEDRO C=CCCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000605768419 347442465 /nfs/dbraw/zinc/44/24/65/347442465.db2.gz MSUJUDOGQKSERK-UKRRQHHQSA-N 1 0 247.357 3.970 20 30 BHEDRO C=CCCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605768420 347442387 /nfs/dbraw/zinc/44/23/87/347442387.db2.gz MSUJUDOGQKSERK-ZFWWWQNUSA-N 1 0 247.357 3.970 20 30 BHEDRO C=CC1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC000606433566 350336609 /nfs/dbraw/zinc/33/66/09/350336609.db2.gz HCNQUJCAKPXSBR-UHFFFAOYSA-N 1 0 229.367 3.701 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000606447031 350333517 /nfs/dbraw/zinc/33/35/17/350333517.db2.gz AEUFBIAVOJMKAV-HNNXBMFYSA-N 1 0 231.383 3.824 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000606447032 350333643 /nfs/dbraw/zinc/33/36/43/350333643.db2.gz AEUFBIAVOJMKAV-OAHLLOKOSA-N 1 0 231.383 3.824 20 30 BHEDRO C=CCCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606448755 350338179 /nfs/dbraw/zinc/33/81/79/350338179.db2.gz GEJPIOMQXVLOOL-GFCCVEGCSA-N 1 0 233.330 3.711 20 30 BHEDRO C=CCCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606448756 350338673 /nfs/dbraw/zinc/33/86/73/350338673.db2.gz GEJPIOMQXVLOOL-LBPRGKRZSA-N 1 0 233.330 3.711 20 30 BHEDRO C=CCC[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000606895931 350621541 /nfs/dbraw/zinc/62/15/41/350621541.db2.gz GSCGJEFLFOJHNJ-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=CCC[N@H+](C)CCCCc1ccccc1 ZINC000606895940 350621550 /nfs/dbraw/zinc/62/15/50/350621550.db2.gz HMNCJDWJSBFZHF-UHFFFAOYSA-N 1 0 217.356 3.517 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000606895950 350621529 /nfs/dbraw/zinc/62/15/29/350621529.db2.gz IKQVVJQSHHGCHE-UHFFFAOYSA-N 1 0 225.335 3.848 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000606895957 350621191 /nfs/dbraw/zinc/62/11/91/350621191.db2.gz KHNLGUUBOFJTOO-LLVKDONJSA-N 1 0 223.747 3.909 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000606895958 350621414 /nfs/dbraw/zinc/62/14/14/350621414.db2.gz KHNLGUUBOFJTOO-NSHDSACASA-N 1 0 223.747 3.909 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000606896102 350621456 /nfs/dbraw/zinc/62/14/56/350621456.db2.gz VAOJOEMUKJHSBY-UHFFFAOYSA-N 1 0 235.758 3.881 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000606896106 350621180 /nfs/dbraw/zinc/62/11/80/350621180.db2.gz WDQIYKKEIVRKKL-UHFFFAOYSA-N 1 0 229.367 3.790 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000606896116 350621348 /nfs/dbraw/zinc/62/13/48/350621348.db2.gz XUXYDBAXUJANIZ-HNNXBMFYSA-N 1 0 215.340 3.708 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000606896117 350621285 /nfs/dbraw/zinc/62/12/85/350621285.db2.gz XUXYDBAXUJANIZ-OAHLLOKOSA-N 1 0 215.340 3.708 20 30 BHEDRO C=CCC[N@H+](CC1CCCCC1)C1CC1 ZINC000606896118 350621225 /nfs/dbraw/zinc/62/12/25/350621225.db2.gz XUYCDYBGXJQJFO-UHFFFAOYSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000606896277 350621665 /nfs/dbraw/zinc/62/16/65/350621665.db2.gz GIXWQPRLGGMBPZ-HNNXBMFYSA-N 1 0 215.340 3.708 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000606896278 350621793 /nfs/dbraw/zinc/62/17/93/350621793.db2.gz GIXWQPRLGGMBPZ-OAHLLOKOSA-N 1 0 215.340 3.708 20 30 BHEDRO C=CCC[N@H+](CC=C)Cc1ccc(Cl)s1 ZINC000606896365 350621752 /nfs/dbraw/zinc/62/17/52/350621752.db2.gz JIVNCDQURJQKID-UHFFFAOYSA-N 1 0 241.787 3.966 20 30 BHEDRO C=CCC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000606896393 350621672 /nfs/dbraw/zinc/62/16/72/350621672.db2.gz SERRNJQJKYRSEM-UHFFFAOYSA-N 1 0 243.394 3.907 20 30 BHEDRO C=CCC[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000606896434 350621782 /nfs/dbraw/zinc/62/17/82/350621782.db2.gz OTHCOWRCPXYCKI-UHFFFAOYSA-N 1 0 229.776 3.800 20 30 BHEDRO C=CCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000606896525 350621198 /nfs/dbraw/zinc/62/11/98/350621198.db2.gz YEXXIWCDNOOWIC-HNNXBMFYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000606896526 350621186 /nfs/dbraw/zinc/62/11/86/350621186.db2.gz YEXXIWCDNOOWIC-OAHLLOKOSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC000606897028 350621580 /nfs/dbraw/zinc/62/15/80/350621580.db2.gz HBQNXUNRYGJIPU-AWEZNQCLSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC000606897029 350621571 /nfs/dbraw/zinc/62/15/71/350621571.db2.gz HBQNXUNRYGJIPU-CQSZACIVSA-N 1 0 221.319 3.785 20 30 BHEDRO C=CCC[N@H+](CCc1ccccc1)CC(C)C ZINC000606897036 350621675 /nfs/dbraw/zinc/62/16/75/350621675.db2.gz HUGDRUKDOMFPDW-UHFFFAOYSA-N 1 0 231.383 3.763 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC000606897095 350621212 /nfs/dbraw/zinc/62/12/12/350621212.db2.gz QPNCOZYOARYPAJ-CYBMUJFWSA-N 1 0 203.329 3.564 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000606897102 350621710 /nfs/dbraw/zinc/62/17/10/350621710.db2.gz QPNCOZYOARYPAJ-ZDUSSCGKSA-N 1 0 203.329 3.564 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC000606897105 350622498 /nfs/dbraw/zinc/62/24/98/350622498.db2.gz RCGGJRCKCPJNSY-AWEZNQCLSA-N 1 0 203.329 3.646 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC000606897106 350622733 /nfs/dbraw/zinc/62/27/33/350622733.db2.gz RCGGJRCKCPJNSY-CQSZACIVSA-N 1 0 203.329 3.646 20 30 BHEDRO C=CCCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000606897132 350622643 /nfs/dbraw/zinc/62/26/43/350622643.db2.gz FMQLGXRFGQJHMW-UHFFFAOYSA-N 1 0 235.758 3.664 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000606897149 350622146 /nfs/dbraw/zinc/62/21/46/350622146.db2.gz VHUJEBSZVYLGPK-HNNXBMFYSA-N 1 0 215.340 3.708 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000606897150 350622636 /nfs/dbraw/zinc/62/26/36/350622636.db2.gz VHUJEBSZVYLGPK-OAHLLOKOSA-N 1 0 215.340 3.708 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H](C)CCc1ccccc1 ZINC000606897162 350622395 /nfs/dbraw/zinc/62/23/95/350622395.db2.gz XPZRMZSMWROXPX-AWEZNQCLSA-N 1 0 217.356 3.516 20 30 BHEDRO C=CCC[N@@H+](C)[C@H](C)CCc1ccccc1 ZINC000606897163 350622339 /nfs/dbraw/zinc/62/23/39/350622339.db2.gz XPZRMZSMWROXPX-CQSZACIVSA-N 1 0 217.356 3.516 20 30 BHEDRO C=CCC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000606897168 350622548 /nfs/dbraw/zinc/62/25/48/350622548.db2.gz YGEVRTZJIFPPGK-UHFFFAOYSA-N 1 0 217.356 3.620 20 30 BHEDRO C=CCC[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000606897173 350622853 /nfs/dbraw/zinc/62/28/53/350622853.db2.gz ZIWVWODZJSRWHP-UHFFFAOYSA-N 1 0 223.747 3.738 20 30 BHEDRO C=CCC[N@@H+](CCCC)C1CCCCC1 ZINC000606897286 350622410 /nfs/dbraw/zinc/62/24/10/350622410.db2.gz FTXSLGRHEZYMJT-UHFFFAOYSA-N 1 0 209.377 3.997 20 30 BHEDRO C=CCC[N@@H+](CCC(C)C)C1CCCC1 ZINC000606897300 350622691 /nfs/dbraw/zinc/62/26/91/350622691.db2.gz ILHVRDAEUHCEDZ-UHFFFAOYSA-N 1 0 209.377 3.853 20 30 BHEDRO C=CCC[N@H+](Cc1ccccc1)CC(C)C ZINC000606897320 350622276 /nfs/dbraw/zinc/62/22/76/350622276.db2.gz NCLKSHTZRWLFDD-UHFFFAOYSA-N 1 0 217.356 3.721 20 30 BHEDRO C=CCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000606897355 350622470 /nfs/dbraw/zinc/62/24/70/350622470.db2.gz BIRODHNQCHEGMH-CYBMUJFWSA-N 1 0 235.758 3.705 20 30 BHEDRO C=CCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000606897356 350622578 /nfs/dbraw/zinc/62/25/78/350622578.db2.gz BIRODHNQCHEGMH-ZDUSSCGKSA-N 1 0 235.758 3.705 20 30 BHEDRO C=CCC[N@H+](CC=C)CC1CCCCC1 ZINC000606897357 350622476 /nfs/dbraw/zinc/62/24/76/350622476.db2.gz BVAZFSSNUCFVDX-UHFFFAOYSA-N 1 0 207.361 3.631 20 30 BHEDRO C=CCC[N@@H+](C)CCc1cccc2ccccc21 ZINC000606897361 350622233 /nfs/dbraw/zinc/62/22/33/350622233.db2.gz RPYHYUCHCQGJCG-UHFFFAOYSA-N 1 0 239.362 3.890 20 30 BHEDRO C=CCC[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000606897370 350622482 /nfs/dbraw/zinc/62/24/82/350622482.db2.gz DERYZMAIGKIAGJ-HNNXBMFYSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CCC[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000606897371 350622839 /nfs/dbraw/zinc/62/28/39/350622839.db2.gz DERYZMAIGKIAGJ-OAHLLOKOSA-N 1 0 245.366 3.798 20 30 BHEDRO C=CCC[N@@H+](Cc1cccc(OC)c1)CC(C)C ZINC000606897401 350622685 /nfs/dbraw/zinc/62/26/85/350622685.db2.gz UEZMZTWWRXQDAC-UHFFFAOYSA-N 1 0 247.382 3.729 20 30 BHEDRO C=CCC[N@@H+](CCC)[C@H]1CCc2ccccc21 ZINC000606897416 350622678 /nfs/dbraw/zinc/62/26/78/350622678.db2.gz VBURVVMDXCOORY-INIZCTEOSA-N 1 0 229.367 3.962 20 30 BHEDRO C=CCC[N@@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000606897417 350622570 /nfs/dbraw/zinc/62/25/70/350622570.db2.gz VBURVVMDXCOORY-MRXNPFEDSA-N 1 0 229.367 3.962 20 30 BHEDRO C=CCC[N@@H+](CCC)Cc1ccccc1F ZINC000606897483 350622616 /nfs/dbraw/zinc/62/26/16/350622616.db2.gz VRFSGAXBQDQAKW-UHFFFAOYSA-N 1 0 221.319 3.614 20 30 BHEDRO C=CCC[N@H+](CCc1ccc(F)cc1)CC(C)C ZINC000606897567 350622487 /nfs/dbraw/zinc/62/24/87/350622487.db2.gz ZGALRIMKZQPZSK-UHFFFAOYSA-N 1 0 249.373 3.902 20 30 BHEDRO C=CCC[N@H+](CC1CC1)C1CCCCC1 ZINC000606897803 350622422 /nfs/dbraw/zinc/62/24/22/350622422.db2.gz CFZGXXNFNKQNFA-UHFFFAOYSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCC[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000606897854 350623756 /nfs/dbraw/zinc/62/37/56/350623756.db2.gz JICCAOQIRRGNLU-UHFFFAOYSA-N 1 0 229.367 3.930 20 30 BHEDRO C=CCC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000606897855 350623456 /nfs/dbraw/zinc/62/34/56/350623456.db2.gz JOZLQBOKFIGQSC-INIZCTEOSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000606897856 350623554 /nfs/dbraw/zinc/62/35/54/350623554.db2.gz JOZLQBOKFIGQSC-MRXNPFEDSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCC[NH+]1CCC2(CCCCC2)CC1 ZINC000606897916 350623755 /nfs/dbraw/zinc/62/37/55/350623755.db2.gz NJKFDEOTHJXCHK-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=CCC[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000606898091 350623808 /nfs/dbraw/zinc/62/38/08/350623808.db2.gz HLONWDIJGTWPBK-DZGCQCFKSA-N 1 0 247.407 3.741 20 30 BHEDRO C=CCC[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000606898092 350623518 /nfs/dbraw/zinc/62/35/18/350623518.db2.gz HLONWDIJGTWPBK-HIFRSBDPSA-N 1 0 247.407 3.741 20 30 BHEDRO C=CCC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000606898093 350623781 /nfs/dbraw/zinc/62/37/81/350623781.db2.gz HLONWDIJGTWPBK-UKRRQHHQSA-N 1 0 247.407 3.741 20 30 BHEDRO C=CCC[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000606898094 350624334 /nfs/dbraw/zinc/62/43/34/350624334.db2.gz HLONWDIJGTWPBK-ZFWWWQNUSA-N 1 0 247.407 3.741 20 30 BHEDRO C=CCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000606898115 350624517 /nfs/dbraw/zinc/62/45/17/350624517.db2.gz LUNWAOGLBRSNTK-UHFFFAOYSA-N 1 0 233.330 3.614 20 30 BHEDRO C=CCC[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000606898125 350624506 /nfs/dbraw/zinc/62/45/06/350624506.db2.gz NUGUFQAYAGASIN-CABCVRRESA-N 1 0 229.367 3.749 20 30 BHEDRO C=CCC[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000606898126 350624086 /nfs/dbraw/zinc/62/40/86/350624086.db2.gz NUGUFQAYAGASIN-GJZGRUSLSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CCC[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000606898127 350624339 /nfs/dbraw/zinc/62/43/39/350624339.db2.gz NUGUFQAYAGASIN-HUUCEWRRSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CCC[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000606898128 350624410 /nfs/dbraw/zinc/62/44/10/350624410.db2.gz NUGUFQAYAGASIN-LSDHHAIUSA-N 1 0 229.367 3.749 20 30 BHEDRO C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000606898129 350624052 /nfs/dbraw/zinc/62/40/52/350624052.db2.gz OEODKDFVWCELPE-HNNXBMFYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCC[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000606898130 350624063 /nfs/dbraw/zinc/62/40/63/350624063.db2.gz OEODKDFVWCELPE-OAHLLOKOSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000606898144 350624526 /nfs/dbraw/zinc/62/45/26/350624526.db2.gz QWRSORFPJHTKEW-INIZCTEOSA-N 1 0 229.367 3.578 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000606898145 350624370 /nfs/dbraw/zinc/62/43/70/350624370.db2.gz QWRSORFPJHTKEW-MRXNPFEDSA-N 1 0 229.367 3.578 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCOc1ccccc1 ZINC000606902276 350626993 /nfs/dbraw/zinc/62/69/93/350626993.db2.gz PZPOYONHNVRLIB-UHFFFAOYSA-N 1 0 247.382 3.744 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)C(C)C)c1 ZINC000606914566 350629010 /nfs/dbraw/zinc/62/90/10/350629010.db2.gz GOFZBQZXXUOUBJ-AWEZNQCLSA-N 1 0 247.382 3.633 20 30 BHEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)C(C)C)c1 ZINC000606914568 350628584 /nfs/dbraw/zinc/62/85/84/350628584.db2.gz GOFZBQZXXUOUBJ-CQSZACIVSA-N 1 0 247.382 3.633 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cccc(OC)c1 ZINC000606934470 350629470 /nfs/dbraw/zinc/62/94/70/350629470.db2.gz QGIWEQFHZPYKTM-UHFFFAOYSA-N 1 0 247.382 3.873 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCC(F)(F)F ZINC000607153875 351030298 /nfs/dbraw/zinc/03/02/98/351030298.db2.gz DGLDYZYBAMFACD-UHFFFAOYSA-N 1 0 223.282 3.617 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000607156001 351032587 /nfs/dbraw/zinc/03/25/87/351032587.db2.gz SINMXGGHZAQKQN-UHFFFAOYSA-N 1 0 229.367 3.844 20 30 BHEDRO CC#CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000607723880 342780229 /nfs/dbraw/zinc/78/02/29/342780229.db2.gz WOKGCWQJXTUCHR-UHFFFAOYSA-N 1 0 249.357 3.712 20 30 BHEDRO CC#CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000607724092 342780506 /nfs/dbraw/zinc/78/05/06/342780506.db2.gz AJSULYBOOHOPAD-AWEZNQCLSA-N 1 0 233.742 3.500 20 30 BHEDRO CC#CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000607724093 342780582 /nfs/dbraw/zinc/78/05/82/342780582.db2.gz AJSULYBOOHOPAD-CQSZACIVSA-N 1 0 233.742 3.500 20 30 BHEDRO CC#CC[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000607726761 342782445 /nfs/dbraw/zinc/78/24/45/342782445.db2.gz GJETUXRVZZANOS-UHFFFAOYSA-N 1 0 235.758 3.574 20 30 BHEDRO CC#CC[N@@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000607727993 342782934 /nfs/dbraw/zinc/78/29/34/342782934.db2.gz OEHDELMSEMNJDB-AWEZNQCLSA-N 1 0 233.355 3.774 20 30 BHEDRO CC#CC[N@@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000607727994 342782858 /nfs/dbraw/zinc/78/28/58/342782858.db2.gz OEHDELMSEMNJDB-CQSZACIVSA-N 1 0 233.355 3.774 20 30 BHEDRO CC#CC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000607729314 342783912 /nfs/dbraw/zinc/78/39/12/342783912.db2.gz PJKZESAEBXLMPH-UHFFFAOYSA-N 1 0 229.367 3.558 20 30 BHEDRO CC#CC[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000607731400 342783193 /nfs/dbraw/zinc/78/31/93/342783193.db2.gz WXZIBGDKRXOFSS-UHFFFAOYSA-N 1 0 229.367 3.658 20 30 BHEDRO CC#CC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000607735337 342784938 /nfs/dbraw/zinc/78/49/38/342784938.db2.gz IJZHSIJKGJQTDJ-AWEZNQCLSA-N 1 0 231.339 3.528 20 30 BHEDRO CC#CC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000607735338 342784802 /nfs/dbraw/zinc/78/48/02/342784802.db2.gz IJZHSIJKGJQTDJ-CQSZACIVSA-N 1 0 231.339 3.528 20 30 BHEDRO C=CC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000607735908 342784755 /nfs/dbraw/zinc/78/47/55/342784755.db2.gz KIYNPRRTJWAPCE-HNNXBMFYSA-N 1 0 215.340 3.626 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000607735909 342784829 /nfs/dbraw/zinc/78/48/29/342784829.db2.gz KIYNPRRTJWAPCE-OAHLLOKOSA-N 1 0 215.340 3.626 20 30 BHEDRO C=CCCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000607739968 342786341 /nfs/dbraw/zinc/78/63/41/342786341.db2.gz RNPZMVNMEBOWSD-INIZCTEOSA-N 1 0 229.367 3.517 20 30 BHEDRO C=CCCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000607739969 342786181 /nfs/dbraw/zinc/78/61/81/342786181.db2.gz RNPZMVNMEBOWSD-MRXNPFEDSA-N 1 0 229.367 3.517 20 30 BHEDRO C=CC[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000607741547 342786714 /nfs/dbraw/zinc/78/67/14/342786714.db2.gz PFPCYCGHZCSZQT-HNNXBMFYSA-N 1 0 215.340 3.708 20 30 BHEDRO C=CC[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000607741548 342786630 /nfs/dbraw/zinc/78/66/30/342786630.db2.gz PFPCYCGHZCSZQT-OAHLLOKOSA-N 1 0 215.340 3.708 20 30 BHEDRO C=CC[N@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000607747024 342787453 /nfs/dbraw/zinc/78/74/53/342787453.db2.gz CPOHKQVUXZPSKU-UHFFFAOYSA-N 1 0 241.378 3.891 20 30 BHEDRO C=CCCC[N@@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000607751319 342788137 /nfs/dbraw/zinc/78/81/37/342788137.db2.gz HGSBJFBREJINRA-INIZCTEOSA-N 1 0 231.383 3.906 20 30 BHEDRO C=CCCC[N@@H+](C)[C@H](CC)Cc1ccccc1 ZINC000607751320 342788163 /nfs/dbraw/zinc/78/81/63/342788163.db2.gz HGSBJFBREJINRA-MRXNPFEDSA-N 1 0 231.383 3.906 20 30 BHEDRO C=CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000607751996 342788571 /nfs/dbraw/zinc/78/85/71/342788571.db2.gz BTVMLKZLAOYXOF-GDBMZVCRSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000607751997 342788560 /nfs/dbraw/zinc/78/85/60/342788560.db2.gz BTVMLKZLAOYXOF-GOEBONIOSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000607751998 342788597 /nfs/dbraw/zinc/78/85/97/342788597.db2.gz BTVMLKZLAOYXOF-HOCLYGCPSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000607751999 342788532 /nfs/dbraw/zinc/78/85/32/342788532.db2.gz BTVMLKZLAOYXOF-ZBFHGGJFSA-N 1 0 229.367 3.688 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000607752351 342788620 /nfs/dbraw/zinc/78/86/20/342788620.db2.gz UAOOBIWCKVOFSA-GDBMZVCRSA-N 1 0 229.367 3.688 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000607752352 342788618 /nfs/dbraw/zinc/78/86/18/342788618.db2.gz UAOOBIWCKVOFSA-GOEBONIOSA-N 1 0 229.367 3.688 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000607752353 342788608 /nfs/dbraw/zinc/78/86/08/342788608.db2.gz UAOOBIWCKVOFSA-HOCLYGCPSA-N 1 0 229.367 3.688 20 30 BHEDRO C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000607752354 342788625 /nfs/dbraw/zinc/78/86/25/342788625.db2.gz UAOOBIWCKVOFSA-ZBFHGGJFSA-N 1 0 229.367 3.688 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000608502330 355830228 /nfs/dbraw/zinc/83/02/28/355830228.db2.gz BIKQYTXTFSMCIG-DOMZBBRYSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000608502338 355829837 /nfs/dbraw/zinc/82/98/37/355829837.db2.gz BIKQYTXTFSMCIG-IUODEOHRSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000608502339 355830083 /nfs/dbraw/zinc/83/00/83/355830083.db2.gz BIKQYTXTFSMCIG-SWLSCSKDSA-N 1 0 233.330 3.785 20 30 BHEDRO C=CCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000608502340 355830411 /nfs/dbraw/zinc/83/04/11/355830411.db2.gz BIKQYTXTFSMCIG-WFASDCNBSA-N 1 0 233.330 3.785 20 30 BHEDRO CCC[N@H+](CCCCC#N)Cc1ccccc1F ZINC000608832572 343096290 /nfs/dbraw/zinc/09/62/90/343096290.db2.gz BWRWUPWGTGYLIO-UHFFFAOYSA-N 1 0 248.345 3.732 20 30 BHEDRO CC[N@H+](CCCCC#N)Cc1ccc(C)cc1 ZINC000608832715 343096652 /nfs/dbraw/zinc/09/66/52/343096652.db2.gz LJOCMUOPMZOGME-UHFFFAOYSA-N 1 0 230.355 3.511 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC#N)[C@H]2CCCC[C@@H]12 ZINC000609047505 343267581 /nfs/dbraw/zinc/26/75/81/343267581.db2.gz RDXIOAJKKMDYHY-ILXRZTDVSA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC#N)[C@@H]2CCCC[C@@H]12 ZINC000609047506 343267620 /nfs/dbraw/zinc/26/76/20/343267620.db2.gz RDXIOAJKKMDYHY-QLFBSQMISA-N 1 0 234.387 3.581 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC#N)[C@@H]2CCCC[C@H]12 ZINC000609047507 343267658 /nfs/dbraw/zinc/26/76/58/343267658.db2.gz RDXIOAJKKMDYHY-RBSFLKMASA-N 1 0 234.387 3.581 20 30 BHEDRO CC(C)c1ccc(C(C)(C)[NH2+]CCCC#N)cc1 ZINC000609358630 343424094 /nfs/dbraw/zinc/42/40/94/343424094.db2.gz PNRAOKZCKHZUDH-UHFFFAOYSA-N 1 0 244.382 3.938 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC(C)(C)C ZINC000609577973 355915686 /nfs/dbraw/zinc/91/56/86/355915686.db2.gz SQRRSEWZYPAQOE-CYBMUJFWSA-N 1 0 244.382 3.987 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC(C)(C)C ZINC000609577979 355915530 /nfs/dbraw/zinc/91/55/30/355915530.db2.gz SQRRSEWZYPAQOE-ZDUSSCGKSA-N 1 0 244.382 3.987 20 30 BHEDRO C=CCCC[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000609798366 356472738 /nfs/dbraw/zinc/47/27/38/356472738.db2.gz XMFXKSPXGSOMHG-UHFFFAOYSA-N 1 0 242.366 3.736 20 30 BHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(C)CC1 ZINC000609823581 356479306 /nfs/dbraw/zinc/47/93/06/356479306.db2.gz QXJXGORKIQNSCY-CYBMUJFWSA-N 1 0 242.366 3.741 20 30 BHEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(C)CC1 ZINC000609823582 356479042 /nfs/dbraw/zinc/47/90/42/356479042.db2.gz QXJXGORKIQNSCY-ZDUSSCGKSA-N 1 0 242.366 3.741 20 30 BHEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000610001961 356687950 /nfs/dbraw/zinc/68/79/50/356687950.db2.gz POFOYDHMIIQSLV-KBPBESRZSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000610001962 356688048 /nfs/dbraw/zinc/68/80/48/356688048.db2.gz POFOYDHMIIQSLV-KGLIPLIRSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000610001963 356688122 /nfs/dbraw/zinc/68/81/22/356688122.db2.gz POFOYDHMIIQSLV-UONOGXRCSA-N 1 0 222.376 3.581 20 30 BHEDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000610001964 356687543 /nfs/dbraw/zinc/68/75/43/356687543.db2.gz POFOYDHMIIQSLV-ZIAGYGMSSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000610080072 357066644 /nfs/dbraw/zinc/06/66/44/357066644.db2.gz QPGOVOBTECKWPJ-UHFFFAOYSA-N 1 0 242.366 3.736 20 30 BHEDRO C=CCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000610080235 357067445 /nfs/dbraw/zinc/06/74/45/357067445.db2.gz GYWAIYKPWSSKBE-UHFFFAOYSA-N 1 0 242.366 3.592 20 30 BHEDRO CC(C)(C)C[N@H+](CCC#N)CCC1CCCC1 ZINC000610213428 398037533 /nfs/dbraw/zinc/03/75/33/398037533.db2.gz JKRHDFDUWMSPBF-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CC(C)CC[N@H+](CCC#N)CC1CCCCC1 ZINC000610391946 357908564 /nfs/dbraw/zinc/90/85/64/357908564.db2.gz LJFCGONGCHATPO-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO CC(C)(C#N)CCC[NH+]1C2CCCC1CCC2 ZINC000610448001 357942548 /nfs/dbraw/zinc/94/25/48/357942548.db2.gz HQEZGCXXPRWQEH-UHFFFAOYSA-N 1 0 234.387 3.723 20 30 BHEDRO C[N@H+](CCCCC#N)[C@H]1CCCc2ccccc21 ZINC000610665305 358051463 /nfs/dbraw/zinc/05/14/63/358051463.db2.gz CWGCKZIRESYKNM-INIZCTEOSA-N 1 0 242.366 3.690 20 30 BHEDRO C[N@H+](CCCCC#N)[C@@H]1CCCc2ccccc21 ZINC000610665306 358051487 /nfs/dbraw/zinc/05/14/87/358051487.db2.gz CWGCKZIRESYKNM-MRXNPFEDSA-N 1 0 242.366 3.690 20 30 BHEDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCCC#N ZINC000610788014 358163424 /nfs/dbraw/zinc/16/34/24/358163424.db2.gz GYGWWLUIENPQHZ-INIZCTEOSA-N 1 0 242.366 3.546 20 30 BHEDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCCC#N ZINC000610788015 358163150 /nfs/dbraw/zinc/16/31/50/358163150.db2.gz GYGWWLUIENPQHZ-MRXNPFEDSA-N 1 0 242.366 3.546 20 30 BHEDRO C[C@@H](CC#N)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000610803538 358181773 /nfs/dbraw/zinc/18/17/73/358181773.db2.gz BYSDRTWBZYUEDQ-HSBZDZAISA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CC#N)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000610803539 358181534 /nfs/dbraw/zinc/18/15/34/358181534.db2.gz BYSDRTWBZYUEDQ-IYXRBSQSSA-N 1 0 236.403 3.731 20 30 BHEDRO CCCC[C@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000610812463 491069150 /nfs/dbraw/zinc/06/91/50/491069150.db2.gz CZIIPPCGSCTYBM-AWEZNQCLSA-N 1 0 248.345 3.756 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000610812464 398071098 /nfs/dbraw/zinc/07/10/98/398071098.db2.gz CZIIPPCGSCTYBM-CQSZACIVSA-N 1 0 248.345 3.756 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610829797 358211363 /nfs/dbraw/zinc/21/13/63/358211363.db2.gz LZVFTDHZRGJQDB-BFHYXJOUSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829798 358210972 /nfs/dbraw/zinc/21/09/72/358210972.db2.gz LZVFTDHZRGJQDB-IHRRRGAJSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610829799 358211173 /nfs/dbraw/zinc/21/11/73/358211173.db2.gz LZVFTDHZRGJQDB-MELADBBJSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829800 358211133 /nfs/dbraw/zinc/21/11/33/358211133.db2.gz LZVFTDHZRGJQDB-MJBXVCDLSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610829865 358210946 /nfs/dbraw/zinc/21/09/46/358210946.db2.gz QAIPIDGFRRUTMS-CHWSQXEVSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829866 358211347 /nfs/dbraw/zinc/21/13/47/358211347.db2.gz QAIPIDGFRRUTMS-OLZOCXBDSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1cccc(C#N)c1 ZINC000610829867 358211230 /nfs/dbraw/zinc/21/12/30/358211230.db2.gz QAIPIDGFRRUTMS-QWHCGFSZSA-N 1 0 242.366 3.788 20 30 BHEDRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829868 358211075 /nfs/dbraw/zinc/21/10/75/358211075.db2.gz QAIPIDGFRRUTMS-STQMWFEESA-N 1 0 242.366 3.788 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610830085 358211269 /nfs/dbraw/zinc/21/12/69/358211269.db2.gz CLHDCOURAXYENM-BBRMVZONSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610830086 358210807 /nfs/dbraw/zinc/21/08/07/358210807.db2.gz CLHDCOURAXYENM-CJNGLKHVSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610830087 358211328 /nfs/dbraw/zinc/21/13/28/358211328.db2.gz CLHDCOURAXYENM-CZUORRHYSA-N 1 0 242.366 3.954 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610830088 358211195 /nfs/dbraw/zinc/21/11/95/358211195.db2.gz CLHDCOURAXYENM-XJKSGUPXSA-N 1 0 242.366 3.954 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1cccc(C#N)c1 ZINC000610830293 358210748 /nfs/dbraw/zinc/21/07/48/358210748.db2.gz KEMDZEKSWIXVDF-NEPJUHHUSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccoc1 ZINC000610830294 358211021 /nfs/dbraw/zinc/21/10/21/358211021.db2.gz KEMDZEKSWIXVDF-NWDGAFQWSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccoc1 ZINC000610830295 358211272 /nfs/dbraw/zinc/21/12/72/358211272.db2.gz KEMDZEKSWIXVDF-RYUDHWBXSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccoc1 ZINC000610830296 358211078 /nfs/dbraw/zinc/21/10/78/358211078.db2.gz KEMDZEKSWIXVDF-VXGBXAGGSA-N 1 0 240.306 3.563 20 30 BHEDRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccc(C#N)c1 ZINC000610946365 358329490 /nfs/dbraw/zinc/32/94/90/358329490.db2.gz GVAQUVCDKSAMSC-GFCCVEGCSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1cccc(C#N)c1 ZINC000610946366 358329199 /nfs/dbraw/zinc/32/91/99/358329199.db2.gz GVAQUVCDKSAMSC-LBPRGKRZSA-N 1 0 240.350 3.542 20 30 BHEDRO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)c(C)c1 ZINC000611251988 359258192 /nfs/dbraw/zinc/25/81/92/359258192.db2.gz AWGPUMQCKBGADQ-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO CC(C)(CCC#N)C[NH+]1C2CCCC1CCC2 ZINC000611274021 359286222 /nfs/dbraw/zinc/28/62/22/359286222.db2.gz HKHSEFRWTGELOB-UHFFFAOYSA-N 1 0 234.387 3.723 20 30 BHEDRO N#Cc1csc(C[NH+]2C3CCCC2CCC3)c1 ZINC000611274067 359286164 /nfs/dbraw/zinc/28/61/64/359286164.db2.gz LPWABXDJHDQZTA-UHFFFAOYSA-N 1 0 246.379 3.527 20 30 BHEDRO N#Cc1ccc(C[NH+]2C3CCCC2CCC3)s1 ZINC000611274155 359287201 /nfs/dbraw/zinc/28/72/01/359287201.db2.gz ZKWWKAWFPZIEND-UHFFFAOYSA-N 1 0 246.379 3.527 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611386594 359357977 /nfs/dbraw/zinc/35/79/77/359357977.db2.gz PDYZSPOMNKQOSU-CHWSQXEVSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611386595 359358025 /nfs/dbraw/zinc/35/80/25/359358025.db2.gz PDYZSPOMNKQOSU-OLZOCXBDSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611386596 359358343 /nfs/dbraw/zinc/35/83/43/359358343.db2.gz PDYZSPOMNKQOSU-QWHCGFSZSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611386597 359358000 /nfs/dbraw/zinc/35/80/00/359358000.db2.gz PDYZSPOMNKQOSU-STQMWFEESA-N 1 0 228.339 3.564 20 30 BHEDRO CCCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390385 359358006 /nfs/dbraw/zinc/35/80/06/359358006.db2.gz XDGJBIHFQDKPKO-INIZCTEOSA-N 1 0 242.366 3.715 20 30 BHEDRO CCCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390386 359358051 /nfs/dbraw/zinc/35/80/51/359358051.db2.gz XDGJBIHFQDKPKO-MRXNPFEDSA-N 1 0 242.366 3.715 20 30 BHEDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCCC#N ZINC000611392157 359358192 /nfs/dbraw/zinc/35/81/92/359358192.db2.gz NALANHJEYJKCLI-BBRMVZONSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCCC#N ZINC000611392159 359357975 /nfs/dbraw/zinc/35/79/75/359357975.db2.gz NALANHJEYJKCLI-CJNGLKHVSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCCC#N ZINC000611392160 359358210 /nfs/dbraw/zinc/35/82/10/359358210.db2.gz NALANHJEYJKCLI-CZUORRHYSA-N 1 0 242.366 3.593 20 30 BHEDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCCC#N ZINC000611392162 359357988 /nfs/dbraw/zinc/35/79/88/359357988.db2.gz NALANHJEYJKCLI-XJKSGUPXSA-N 1 0 242.366 3.593 20 30 BHEDRO CC(C)C([NH2+][C@H](C)c1cccc(C#N)c1)C(C)C ZINC000611438866 359371771 /nfs/dbraw/zinc/37/17/71/359371771.db2.gz XQOOEXMLGZMUTP-CYBMUJFWSA-N 1 0 244.382 3.889 20 30 BHEDRO CC(C)C([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000611438869 359371640 /nfs/dbraw/zinc/37/16/40/359371640.db2.gz XQOOEXMLGZMUTP-ZDUSSCGKSA-N 1 0 244.382 3.889 20 30 BHEDRO CCC[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611442087 359370198 /nfs/dbraw/zinc/37/01/98/359370198.db2.gz PGBABDUWMMBRLJ-CHWSQXEVSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611442088 359370628 /nfs/dbraw/zinc/37/06/28/359370628.db2.gz PGBABDUWMMBRLJ-OLZOCXBDSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611442089 359370882 /nfs/dbraw/zinc/37/08/82/359370882.db2.gz PGBABDUWMMBRLJ-QWHCGFSZSA-N 1 0 230.355 3.645 20 30 BHEDRO CCC[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611442090 359369850 /nfs/dbraw/zinc/36/98/50/359369850.db2.gz PGBABDUWMMBRLJ-STQMWFEESA-N 1 0 230.355 3.645 20 30 BHEDRO CC(C)(C#N)CC[NH+]1CCC(C2CCCC2)CC1 ZINC000611462479 359373742 /nfs/dbraw/zinc/37/37/42/359373742.db2.gz DGOSBSOYQZPGOK-UHFFFAOYSA-N 1 0 248.414 3.828 20 30 BHEDRO CC(C)(C#N)CC[N@H+](C1CC1)C1CCCCC1 ZINC000611462607 359373610 /nfs/dbraw/zinc/37/36/10/359373610.db2.gz XGTUWYAIMPLYNZ-UHFFFAOYSA-N 1 0 234.387 3.723 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000611462666 359373319 /nfs/dbraw/zinc/37/33/19/359373319.db2.gz LGQIXXZZKZDYQK-AWEZNQCLSA-N 1 0 246.329 3.512 20 30 BHEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000611462667 359373628 /nfs/dbraw/zinc/37/36/28/359373628.db2.gz LGQIXXZZKZDYQK-CQSZACIVSA-N 1 0 246.329 3.512 20 30 BHEDRO CCCCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000611465397 359374552 /nfs/dbraw/zinc/37/45/52/359374552.db2.gz GQUMTFSIBNIXMV-LLVKDONJSA-N 1 0 234.318 3.538 20 30 BHEDRO CCCCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000611465398 359374852 /nfs/dbraw/zinc/37/48/52/359374852.db2.gz GQUMTFSIBNIXMV-NSHDSACASA-N 1 0 234.318 3.538 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000611465489 359374444 /nfs/dbraw/zinc/37/44/44/359374444.db2.gz KDSMZDSQKNSGOP-GHMZBOCLSA-N 1 0 234.318 3.537 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000611465490 359374809 /nfs/dbraw/zinc/37/48/09/359374809.db2.gz KDSMZDSQKNSGOP-MNOVXSKESA-N 1 0 234.318 3.537 20 30 BHEDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000611465491 359374591 /nfs/dbraw/zinc/37/45/91/359374591.db2.gz KDSMZDSQKNSGOP-QWRGUYRKSA-N 1 0 234.318 3.537 20 30 BHEDRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000611465492 359374873 /nfs/dbraw/zinc/37/48/73/359374873.db2.gz KDSMZDSQKNSGOP-WDEREUQCSA-N 1 0 234.318 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000611465882 359372333 /nfs/dbraw/zinc/37/23/33/359372333.db2.gz CWVRKDMIYHREBZ-GHMZBOCLSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CCC1 ZINC000611465883 359372720 /nfs/dbraw/zinc/37/27/20/359372720.db2.gz CWVRKDMIYHREBZ-MNOVXSKESA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000611465884 359372271 /nfs/dbraw/zinc/37/22/71/359372271.db2.gz CWVRKDMIYHREBZ-QWRGUYRKSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000611465885 359372372 /nfs/dbraw/zinc/37/23/72/359372372.db2.gz CWVRKDMIYHREBZ-WDEREUQCSA-N 1 0 246.329 3.537 20 30 BHEDRO CCC[N@H+](CCCC#N)Cc1ccc(C)cc1 ZINC000611565429 359392972 /nfs/dbraw/zinc/39/29/72/359392972.db2.gz CTWDCVHLRUDZCM-UHFFFAOYSA-N 1 0 230.355 3.511 20 30 BHEDRO CCC[N@H+](CCCCC#N)Cc1ccc(C)cc1 ZINC000611565655 359393052 /nfs/dbraw/zinc/39/30/52/359393052.db2.gz IEJJMUDVGWDBSM-UHFFFAOYSA-N 1 0 244.382 3.901 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000611586188 359399195 /nfs/dbraw/zinc/39/91/95/359399195.db2.gz HYSPEOBIBJMOLZ-GHMZBOCLSA-N 1 0 234.318 3.537 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000611586199 359399344 /nfs/dbraw/zinc/39/93/44/359399344.db2.gz HYSPEOBIBJMOLZ-MNOVXSKESA-N 1 0 234.318 3.537 20 30 BHEDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000611586200 359399425 /nfs/dbraw/zinc/39/94/25/359399425.db2.gz HYSPEOBIBJMOLZ-QWRGUYRKSA-N 1 0 234.318 3.537 20 30 BHEDRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000611586201 359399223 /nfs/dbraw/zinc/39/92/23/359399223.db2.gz HYSPEOBIBJMOLZ-WDEREUQCSA-N 1 0 234.318 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(C#N)cc1F ZINC000611589162 487484318 /nfs/dbraw/zinc/48/43/18/487484318.db2.gz UGUINTMODIRGAY-GHMZBOCLSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C1CCC1 ZINC000611589164 487484680 /nfs/dbraw/zinc/48/46/80/487484680.db2.gz UGUINTMODIRGAY-MNOVXSKESA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(C#N)cc1F ZINC000611589166 487484491 /nfs/dbraw/zinc/48/44/91/487484491.db2.gz UGUINTMODIRGAY-QWRGUYRKSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(C#N)cc1F ZINC000611589167 487484700 /nfs/dbraw/zinc/48/47/00/487484700.db2.gz UGUINTMODIRGAY-WDEREUQCSA-N 1 0 246.329 3.537 20 30 BHEDRO CC(C)C([NH2+]Cc1ccc(CC#N)cc1)C(C)C ZINC000612121399 359669451 /nfs/dbraw/zinc/66/94/51/359669451.db2.gz UHMCFENOYHKKJW-UHFFFAOYSA-N 1 0 244.382 3.523 20 30 BHEDRO C[C@H](c1cccc(F)c1)N1CCC[C@@](C)(C#N)C1 ZINC000612161776 359712977 /nfs/dbraw/zinc/71/29/77/359712977.db2.gz IDKLMBYKCPFPPD-DOMZBBRYSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@H](c1cccc(F)c1)N1CCC[C@](C)(C#N)C1 ZINC000612161777 359713245 /nfs/dbraw/zinc/71/32/45/359713245.db2.gz IDKLMBYKCPFPPD-IUODEOHRSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1cccc(F)c1)N1CCC[C@](C)(C#N)C1 ZINC000612161778 359713222 /nfs/dbraw/zinc/71/32/22/359713222.db2.gz IDKLMBYKCPFPPD-SWLSCSKDSA-N 1 0 246.329 3.512 20 30 BHEDRO C[C@@H](c1cccc(F)c1)N1CCC[C@@](C)(C#N)C1 ZINC000612161779 359712178 /nfs/dbraw/zinc/71/21/78/359712178.db2.gz IDKLMBYKCPFPPD-WFASDCNBSA-N 1 0 246.329 3.512 20 30 BHEDRO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612161806 359712818 /nfs/dbraw/zinc/71/28/18/359712818.db2.gz AJMSVJQFFJPYKA-GDBMZVCRSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1cccc([C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612161807 359712186 /nfs/dbraw/zinc/71/21/86/359712186.db2.gz AJMSVJQFFJPYKA-GOEBONIOSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1cccc([C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612161808 359712153 /nfs/dbraw/zinc/71/21/53/359712153.db2.gz AJMSVJQFFJPYKA-HOCLYGCPSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612161809 359713139 /nfs/dbraw/zinc/71/31/39/359713139.db2.gz AJMSVJQFFJPYKA-ZBFHGGJFSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162100 359712164 /nfs/dbraw/zinc/71/21/64/359712164.db2.gz ZGSICZMVXHAKFM-GDBMZVCRSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162101 359713395 /nfs/dbraw/zinc/71/33/95/359713395.db2.gz ZGSICZMVXHAKFM-GOEBONIOSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162102 359712695 /nfs/dbraw/zinc/71/26/95/359712695.db2.gz ZGSICZMVXHAKFM-HOCLYGCPSA-N 1 0 242.366 3.682 20 30 BHEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162103 359713165 /nfs/dbraw/zinc/71/31/65/359713165.db2.gz ZGSICZMVXHAKFM-ZBFHGGJFSA-N 1 0 242.366 3.682 20 30 BHEDRO C[C@@]1(C#N)CCC[N@H+](CCCC2CCCC2)C1 ZINC000612163022 359713802 /nfs/dbraw/zinc/71/38/02/359713802.db2.gz NKRVCNXBZLWODP-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@]1(C#N)CCC[N@H+](CCCC2CCCC2)C1 ZINC000612163030 359713896 /nfs/dbraw/zinc/71/38/96/359713896.db2.gz NKRVCNXBZLWODP-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164912 359719658 /nfs/dbraw/zinc/71/96/58/359719658.db2.gz IWERSNDORWEMHX-CVEARBPZSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164913 359720227 /nfs/dbraw/zinc/72/02/27/359720227.db2.gz IWERSNDORWEMHX-HOTGVXAUSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164914 359720124 /nfs/dbraw/zinc/72/01/24/359720124.db2.gz IWERSNDORWEMHX-HZPDHXFCSA-N 1 0 242.366 3.763 20 30 BHEDRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164915 359719351 /nfs/dbraw/zinc/71/93/51/359719351.db2.gz IWERSNDORWEMHX-JKSUJKDBSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@@]1(C#N)CCC[N@H+](CCC2CCCCC2)C1 ZINC000612167651 359717350 /nfs/dbraw/zinc/71/73/50/359717350.db2.gz SPRCOHZGGKRZAU-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@]1(C#N)CCC[N@H+](CCC2CCCCC2)C1 ZINC000612167652 359716841 /nfs/dbraw/zinc/71/68/41/359716841.db2.gz SPRCOHZGGKRZAU-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@@]1(C#N)CCC[N@H+](CC2CCCCCC2)C1 ZINC000612405970 359833948 /nfs/dbraw/zinc/83/39/48/359833948.db2.gz FSKPFMFUXDVKKU-HNNXBMFYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@]1(C#N)CCC[N@H+](CC2CCCCCC2)C1 ZINC000612405975 359833093 /nfs/dbraw/zinc/83/30/93/359833093.db2.gz FSKPFMFUXDVKKU-OAHLLOKOSA-N 1 0 234.387 3.582 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000612422586 359843809 /nfs/dbraw/zinc/84/38/09/359843809.db2.gz BXULCIPGOHVGLJ-BMIGLBTASA-N 1 0 246.329 3.537 20 30 BHEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000612422587 359844095 /nfs/dbraw/zinc/84/40/95/359844095.db2.gz BXULCIPGOHVGLJ-BONVTDFDSA-N 1 0 246.329 3.537 20 30 BHEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000612422588 359844115 /nfs/dbraw/zinc/84/41/15/359844115.db2.gz BXULCIPGOHVGLJ-MEBBXXQBSA-N 1 0 246.329 3.537 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000612422589 359844378 /nfs/dbraw/zinc/84/43/78/359844378.db2.gz BXULCIPGOHVGLJ-ZUZCIYMTSA-N 1 0 246.329 3.537 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CC(C)(C)C#N)C[C@@H]1C ZINC000612585002 359897067 /nfs/dbraw/zinc/89/70/67/359897067.db2.gz MOVYCFIHESUWLD-IHRRRGAJSA-N 1 0 236.403 3.587 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C#N)C[C@H]1C ZINC000612585010 359896885 /nfs/dbraw/zinc/89/68/85/359896885.db2.gz MOVYCFIHESUWLD-MCIONIFRSA-N 1 0 236.403 3.587 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C#N)C[C@@H]1C ZINC000612585013 359896763 /nfs/dbraw/zinc/89/67/63/359896763.db2.gz MOVYCFIHESUWLD-MJBXVCDLSA-N 1 0 236.403 3.587 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CC(C)(C)C#N)C[C@H]1C ZINC000612585015 359896793 /nfs/dbraw/zinc/89/67/93/359896793.db2.gz MOVYCFIHESUWLD-RDBSUJKOSA-N 1 0 236.403 3.587 20 30 BHEDRO CC(C)(C#N)C[NH2+]Cc1cc2ccccc2s1 ZINC000612585287 359898045 /nfs/dbraw/zinc/89/80/45/359898045.db2.gz VABSQUIOGPXORY-UHFFFAOYSA-N 1 0 244.363 3.541 20 30 BHEDRO CCCC1CCC(C[NH2+]CC(C)(C)C#N)CC1 ZINC000612585326 359898228 /nfs/dbraw/zinc/89/82/28/359898228.db2.gz XLSXICPSXBFCMC-UHFFFAOYSA-N 1 0 236.403 3.732 20 30 BHEDRO CCC[C@@H](C[NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000612585570 359898408 /nfs/dbraw/zinc/89/84/08/359898408.db2.gz MFLZRCDRMZVCOS-HNNXBMFYSA-N 1 0 244.382 3.710 20 30 BHEDRO CCC[C@H](C[NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000612585571 359897835 /nfs/dbraw/zinc/89/78/35/359897835.db2.gz MFLZRCDRMZVCOS-OAHLLOKOSA-N 1 0 244.382 3.710 20 30 BHEDRO C[C@@H](C[NH2+]CC(C)(C)C#N)CC1CCCCC1 ZINC000612587943 359900012 /nfs/dbraw/zinc/90/00/12/359900012.db2.gz HGWZHPOWISZRQK-CYBMUJFWSA-N 1 0 236.403 3.732 20 30 BHEDRO C[C@H](C[NH2+]CC(C)(C)C#N)CC1CCCCC1 ZINC000612587944 359900295 /nfs/dbraw/zinc/90/02/95/359900295.db2.gz HGWZHPOWISZRQK-ZDUSSCGKSA-N 1 0 236.403 3.732 20 30 BHEDRO CCC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000613145923 387398475 /nfs/dbraw/zinc/39/84/75/387398475.db2.gz QEEJAOVBJWXUPI-HNNXBMFYSA-N 1 0 244.382 3.537 20 30 BHEDRO CCC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000613145924 387398691 /nfs/dbraw/zinc/39/86/91/387398691.db2.gz QEEJAOVBJWXUPI-OAHLLOKOSA-N 1 0 244.382 3.537 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000613254695 361853845 /nfs/dbraw/zinc/85/38/45/361853845.db2.gz SKWLBCCKASLFGE-FZKCQIBNSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000613254701 361853893 /nfs/dbraw/zinc/85/38/93/361853893.db2.gz SKWLBCCKASLFGE-UGUYLWEFSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000613254702 361853088 /nfs/dbraw/zinc/85/30/88/361853088.db2.gz SKWLBCCKASLFGE-VGWMRTNUSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000613254703 361854807 /nfs/dbraw/zinc/85/48/07/361854807.db2.gz SKWLBCCKASLFGE-WCVJEAGWSA-N 1 0 248.414 3.873 20 30 BHEDRO C=CC[NH+](CC=C)Cc1cccc(OC(C)C)c1 ZINC000613415841 363192135 /nfs/dbraw/zinc/19/21/35/363192135.db2.gz NTQYDOBYNKWENA-UHFFFAOYSA-N 1 0 245.366 3.648 20 30 BHEDRO CC/C=C\CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000613450968 363277130 /nfs/dbraw/zinc/27/71/30/363277130.db2.gz VRZNXAQIYWRBMV-DSYXLKISSA-N 1 0 228.339 3.565 20 30 BHEDRO CC/C=C/CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000613450971 363277234 /nfs/dbraw/zinc/27/72/34/363277234.db2.gz VRZNXAQIYWRBMV-IHVVCDCBSA-N 1 0 228.339 3.565 20 30 BHEDRO CC/C=C/CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000613450972 363277049 /nfs/dbraw/zinc/27/70/49/363277049.db2.gz VRZNXAQIYWRBMV-MUBLQREKSA-N 1 0 228.339 3.565 20 30 BHEDRO CC/C=C\CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000613450973 363277043 /nfs/dbraw/zinc/27/70/43/363277043.db2.gz VRZNXAQIYWRBMV-ZFDPJTLLSA-N 1 0 228.339 3.565 20 30 BHEDRO C=C(C)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000613454648 363283786 /nfs/dbraw/zinc/28/37/86/363283786.db2.gz ASZVZZLDGDFFNB-UHFFFAOYSA-N 1 0 247.357 3.656 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000613464474 363368650 /nfs/dbraw/zinc/36/86/50/363368650.db2.gz AEPBTYKIBBYSFF-UHFFFAOYSA-N 1 0 235.758 3.881 20 30 BHEDRO C=C(C)C[N@H+](C1CC1)C1CCC(CC)CC1 ZINC000613470881 363390932 /nfs/dbraw/zinc/39/09/32/363390932.db2.gz HSDZPUFNKWGYNM-UHFFFAOYSA-N 1 0 221.388 3.996 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000613474523 363449754 /nfs/dbraw/zinc/44/97/54/363449754.db2.gz WNCQKVVDZBQNRC-INIZCTEOSA-N 1 0 229.367 3.660 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000613474524 363449636 /nfs/dbraw/zinc/44/96/36/363449636.db2.gz WNCQKVVDZBQNRC-MRXNPFEDSA-N 1 0 229.367 3.660 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000613479719 363457857 /nfs/dbraw/zinc/45/78/57/363457857.db2.gz IUOONBIDTFKKGF-AWEZNQCLSA-N 1 0 207.361 3.607 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000613479734 363457813 /nfs/dbraw/zinc/45/78/13/363457813.db2.gz IUOONBIDTFKKGF-CQSZACIVSA-N 1 0 207.361 3.607 20 30 BHEDRO C=C(C)C[N@H+](CC1CCCCC1)C1CC1 ZINC000613501951 363465714 /nfs/dbraw/zinc/46/57/14/363465714.db2.gz QNVHHZQIJONGFV-UHFFFAOYSA-N 1 0 207.361 3.607 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000613540293 363474461 /nfs/dbraw/zinc/47/44/61/363474461.db2.gz JROVHWLYTNOQTH-KBPBESRZSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000613540302 363474595 /nfs/dbraw/zinc/47/45/95/363474595.db2.gz JROVHWLYTNOQTH-KGLIPLIRSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000613540303 363474472 /nfs/dbraw/zinc/47/44/72/363474472.db2.gz JROVHWLYTNOQTH-UONOGXRCSA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000613540305 363474337 /nfs/dbraw/zinc/47/43/37/363474337.db2.gz JROVHWLYTNOQTH-ZIAGYGMSSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H](CCC1CCCCC1)[NH2+]CC(C)(C)C#N ZINC000613540434 363473930 /nfs/dbraw/zinc/47/39/30/363473930.db2.gz ZEZIIBWAHFHCRL-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H](CCC1CCCCC1)[NH2+]CC(C)(C)C#N ZINC000613540435 363474669 /nfs/dbraw/zinc/47/46/69/363474669.db2.gz ZEZIIBWAHFHCRL-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000613667714 363617146 /nfs/dbraw/zinc/61/71/46/363617146.db2.gz LWFVGLAPSJYNOS-QEJZJMRPSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000613667724 363617123 /nfs/dbraw/zinc/61/71/23/363617123.db2.gz LWFVGLAPSJYNOS-SNPRPXQTSA-N 1 0 234.387 3.627 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000613667726 363617401 /nfs/dbraw/zinc/61/74/01/363617401.db2.gz LWFVGLAPSJYNOS-YUELXQCFSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CC[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613733708 363626742 /nfs/dbraw/zinc/62/67/42/363626742.db2.gz WRYPMQGBDYCBDN-AWEZNQCLSA-N 1 0 240.350 3.533 20 30 BHEDRO C=CC[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733709 363626987 /nfs/dbraw/zinc/62/69/87/363626987.db2.gz WRYPMQGBDYCBDN-CQSZACIVSA-N 1 0 240.350 3.533 20 30 BHEDRO C=CC[N@H+](CC1CCCCC1)C1CCCC1 ZINC000613864270 363671172 /nfs/dbraw/zinc/67/11/72/363671172.db2.gz KYKQVYGTBGUZRE-UHFFFAOYSA-N 1 0 221.388 3.997 20 30 BHEDRO CCC(C)(C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159669 363739125 /nfs/dbraw/zinc/73/91/25/363739125.db2.gz MSYNNYCEJQKIQB-UHFFFAOYSA-N 1 0 244.382 3.766 20 30 BHEDRO CCCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160147 363739250 /nfs/dbraw/zinc/73/92/50/363739250.db2.gz FYXMSRRPZSCKQM-UHFFFAOYSA-N 1 0 244.382 3.720 20 30 BHEDRO CC(C)C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614163872 363727650 /nfs/dbraw/zinc/72/76/50/363727650.db2.gz DTJMNVMZRRJEOU-UHFFFAOYSA-N 1 0 244.382 3.576 20 30 BHEDRO CCC[N@H+](CC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614163920 363727766 /nfs/dbraw/zinc/72/77/66/363727766.db2.gz JFWHZSJLXKYRFQ-UHFFFAOYSA-N 1 0 244.382 3.720 20 30 BHEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173106 363727711 /nfs/dbraw/zinc/72/77/11/363727711.db2.gz MPWYZXVOEXZSJF-CYBMUJFWSA-N 1 0 244.382 3.718 20 30 BHEDRO CC[C@H](C)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173107 363727856 /nfs/dbraw/zinc/72/78/56/363727856.db2.gz MPWYZXVOEXZSJF-ZDUSSCGKSA-N 1 0 244.382 3.718 20 30 BHEDRO C=CC[N@H+](CC=C(C)C)Cc1ccc(OC)cc1 ZINC000614352958 363784097 /nfs/dbraw/zinc/78/40/97/363784097.db2.gz WRLVUGHYXWLQSZ-UHFFFAOYSA-N 1 0 245.366 3.649 20 30 BHEDRO C=CC[N@@H+](CCC(C)C)Cc1ccc(OC)cc1 ZINC000614352966 363785388 /nfs/dbraw/zinc/78/53/88/363785388.db2.gz XPKLPBQCWKOYDZ-UHFFFAOYSA-N 1 0 247.382 3.729 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)cc1C)[C@@H](C)C(C)C ZINC000614396730 363819641 /nfs/dbraw/zinc/81/96/41/363819641.db2.gz JUZGQDRUIPQRSR-AWEZNQCLSA-N 1 0 244.382 3.733 20 30 BHEDRO CC[N@H+](Cc1ccc(C#N)cc1C)[C@H](C)C(C)C ZINC000614396731 363819268 /nfs/dbraw/zinc/81/92/68/363819268.db2.gz JUZGQDRUIPQRSR-CQSZACIVSA-N 1 0 244.382 3.733 20 30 BHEDRO Cc1cc(C#N)ccc1C[NH2+]C(C(C)C)C(C)C ZINC000614407410 363807017 /nfs/dbraw/zinc/80/70/17/363807017.db2.gz QAXRUXCCFDXFRN-UHFFFAOYSA-N 1 0 244.382 3.637 20 30 BHEDRO C=CC[N@@H+](CCCC)Cc1ccccc1F ZINC000615463703 367963847 /nfs/dbraw/zinc/96/38/47/367963847.db2.gz JIHGGMSRHFKHIJ-UHFFFAOYSA-N 1 0 221.319 3.614 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000615464174 367962776 /nfs/dbraw/zinc/96/27/76/367962776.db2.gz TXBDYRXNAHAITK-AWEZNQCLSA-N 1 0 217.356 3.872 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000615464175 367963007 /nfs/dbraw/zinc/96/30/07/367963007.db2.gz TXBDYRXNAHAITK-CQSZACIVSA-N 1 0 217.356 3.872 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000615506939 368082472 /nfs/dbraw/zinc/08/24/72/368082472.db2.gz NYJRSBCDPXNYHU-ARFHVFGLSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000615506947 368082764 /nfs/dbraw/zinc/08/27/64/368082764.db2.gz NYJRSBCDPXNYHU-HRCADAONSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000615506948 368082228 /nfs/dbraw/zinc/08/22/28/368082228.db2.gz NYJRSBCDPXNYHU-JYJNAYRXSA-N 1 0 246.398 3.604 20 30 BHEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000615506949 368082483 /nfs/dbraw/zinc/08/24/83/368082483.db2.gz NYJRSBCDPXNYHU-XHSDSOJGSA-N 1 0 246.398 3.604 20 30 BHEDRO CC(C)C1CC([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000617096598 348061207 /nfs/dbraw/zinc/06/12/07/348061207.db2.gz LKWOVUUKEGKJTH-JQRITLKVSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)C1CC([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000617096599 348061094 /nfs/dbraw/zinc/06/10/94/348061094.db2.gz LKWOVUUKEGKJTH-UWTIGNOOSA-N 1 0 242.366 3.643 20 30 BHEDRO Cc1cc(C[NH2+]C(C(C)C)C(C)C)ccc1C#N ZINC000618194644 343615536 /nfs/dbraw/zinc/61/55/36/343615536.db2.gz LDTNRLZFXKGQMW-UHFFFAOYSA-N 1 0 244.382 3.637 20 30 BHEDRO CC[N@H+](CCCCC(C)(C)C#N)Cc1ccoc1 ZINC000618279285 345104812 /nfs/dbraw/zinc/10/48/12/345104812.db2.gz ODUGZDIPTGIMCC-UHFFFAOYSA-N 1 0 248.370 3.822 20 30 BHEDRO CC(C)C([NH2+]CCCCC(C)(C)C#N)C(C)C ZINC000618304524 369117076 /nfs/dbraw/zinc/11/70/76/369117076.db2.gz LKXQXQJVKCOELO-UHFFFAOYSA-N 1 0 238.419 3.977 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000618561464 369171778 /nfs/dbraw/zinc/17/17/78/369171778.db2.gz WPEMLBOEMWJWIK-DOMZBBRYSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC[C@@H](C)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000618561465 369172279 /nfs/dbraw/zinc/17/22/79/369172279.db2.gz WPEMLBOEMWJWIK-IUODEOHRSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC[C@H](C)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000618561466 369171575 /nfs/dbraw/zinc/17/15/75/369171575.db2.gz WPEMLBOEMWJWIK-SWLSCSKDSA-N 1 0 230.355 3.788 20 30 BHEDRO CCC[C@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000618561467 369172232 /nfs/dbraw/zinc/17/22/32/369172232.db2.gz WPEMLBOEMWJWIK-WFASDCNBSA-N 1 0 230.355 3.788 20 30 BHEDRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000618566788 350350815 /nfs/dbraw/zinc/35/08/15/350350815.db2.gz BLZUPSSHSDWAMA-FMKPAKJESA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000618566791 350350970 /nfs/dbraw/zinc/35/09/70/350350970.db2.gz BLZUPSSHSDWAMA-IIAWOOMASA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000618566793 350350756 /nfs/dbraw/zinc/35/07/56/350350756.db2.gz BLZUPSSHSDWAMA-IJEWVQPXSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000618566795 350350928 /nfs/dbraw/zinc/35/09/28/350350928.db2.gz BLZUPSSHSDWAMA-YCPHGPKFSA-N 1 0 248.414 3.875 20 30 BHEDRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000618566863 369174094 /nfs/dbraw/zinc/17/40/94/369174094.db2.gz JUOUHDYMHCIYLR-BLLLJJGKSA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000618566864 369174489 /nfs/dbraw/zinc/17/44/89/369174489.db2.gz JUOUHDYMHCIYLR-LRDDRELGSA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000618566865 369174054 /nfs/dbraw/zinc/17/40/54/369174054.db2.gz JUOUHDYMHCIYLR-MLGOLLRUSA-N 1 0 242.366 3.645 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000618566866 369174350 /nfs/dbraw/zinc/17/43/50/369174350.db2.gz JUOUHDYMHCIYLR-WBMJQRKESA-N 1 0 242.366 3.645 20 30 BHEDRO CC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCCC1 ZINC000618571998 350523176 /nfs/dbraw/zinc/52/31/76/350523176.db2.gz CYOVDFRTHZVXAY-KBPBESRZSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCCC1 ZINC000618571999 350522815 /nfs/dbraw/zinc/52/28/15/350522815.db2.gz CYOVDFRTHZVXAY-KGLIPLIRSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCCC1 ZINC000618572000 350522853 /nfs/dbraw/zinc/52/28/53/350522853.db2.gz CYOVDFRTHZVXAY-UONOGXRCSA-N 1 0 234.387 3.629 20 30 BHEDRO CC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCCC1 ZINC000618572001 350522946 /nfs/dbraw/zinc/52/29/46/350522946.db2.gz CYOVDFRTHZVXAY-ZIAGYGMSSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(C#N)cc1 ZINC000618572338 350564255 /nfs/dbraw/zinc/56/42/55/350564255.db2.gz WZHNIAHUJAWWHV-BLLLJJGKSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(C#N)cc1 ZINC000618572339 350564260 /nfs/dbraw/zinc/56/42/60/350564260.db2.gz WZHNIAHUJAWWHV-LRDDRELGSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(C#N)cc1 ZINC000618572340 350564501 /nfs/dbraw/zinc/56/45/01/350564501.db2.gz WZHNIAHUJAWWHV-MLGOLLRUSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccc(C#N)cc1 ZINC000618572341 350564331 /nfs/dbraw/zinc/56/43/31/350564331.db2.gz WZHNIAHUJAWWHV-WBMJQRKESA-N 1 0 242.366 3.788 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000618577534 369176703 /nfs/dbraw/zinc/17/67/03/369176703.db2.gz LOOPPLLLJZALCR-IHRRRGAJSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000618577537 369176924 /nfs/dbraw/zinc/17/69/24/369176924.db2.gz LOOPPLLLJZALCR-MCIONIFRSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000618577538 369176826 /nfs/dbraw/zinc/17/68/26/369176826.db2.gz LOOPPLLLJZALCR-MJBXVCDLSA-N 1 0 234.387 3.627 20 30 BHEDRO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000618577539 369176941 /nfs/dbraw/zinc/17/69/41/369176941.db2.gz LOOPPLLLJZALCR-RDBSUJKOSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@H](C#N)C[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000618606698 343221259 /nfs/dbraw/zinc/22/12/59/343221259.db2.gz WHOBMBDBXVNOLY-IUDNXUCKSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@@H](C#N)C[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000618606707 343221044 /nfs/dbraw/zinc/22/10/44/343221044.db2.gz WHOBMBDBXVNOLY-JEYLPNPQSA-N 1 0 248.414 3.875 20 30 BHEDRO CCC[C@H](C)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618743128 359807426 /nfs/dbraw/zinc/80/74/26/359807426.db2.gz XLGBXJLZNMESNC-BLLLJJGKSA-N 1 0 242.366 3.571 20 30 BHEDRO CCC[C@H](C)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618743129 359807417 /nfs/dbraw/zinc/80/74/17/359807417.db2.gz XLGBXJLZNMESNC-LRDDRELGSA-N 1 0 242.366 3.571 20 30 BHEDRO CCC[C@@H](C)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618743130 359807462 /nfs/dbraw/zinc/80/74/62/359807462.db2.gz XLGBXJLZNMESNC-MLGOLLRUSA-N 1 0 242.366 3.571 20 30 BHEDRO CCC[C@@H](C)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618743131 359807153 /nfs/dbraw/zinc/80/71/53/359807153.db2.gz XLGBXJLZNMESNC-WBMJQRKESA-N 1 0 242.366 3.571 20 30 BHEDRO Cc1cc(C#N)ccc1C[N@@H+](C)C1(C)CCCC1 ZINC000618779815 351066234 /nfs/dbraw/zinc/06/62/34/351066234.db2.gz AXZAELIAJSKTJY-UHFFFAOYSA-N 1 0 242.366 3.631 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618801358 369216933 /nfs/dbraw/zinc/21/69/33/369216933.db2.gz AKPIUBVYGHKXJF-HWWQOWPSSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618801359 369217546 /nfs/dbraw/zinc/21/75/46/369217546.db2.gz AKPIUBVYGHKXJF-MKBNYLNASA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618801360 369217449 /nfs/dbraw/zinc/21/74/49/369217449.db2.gz AKPIUBVYGHKXJF-MQIPJXDCSA-N 1 0 242.366 3.570 20 30 BHEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618801361 369217415 /nfs/dbraw/zinc/21/74/15/369217415.db2.gz AKPIUBVYGHKXJF-OZVIIMIRSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618801362 369217296 /nfs/dbraw/zinc/21/72/96/369217296.db2.gz AKYMZJLGUMPCKD-BLLLJJGKSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)C[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618801364 369216813 /nfs/dbraw/zinc/21/68/13/369216813.db2.gz AKYMZJLGUMPCKD-LRDDRELGSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618801366 369217125 /nfs/dbraw/zinc/21/71/25/369217125.db2.gz AKYMZJLGUMPCKD-MLGOLLRUSA-N 1 0 242.366 3.570 20 30 BHEDRO CC(C)C[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618801368 369217358 /nfs/dbraw/zinc/21/73/58/369217358.db2.gz AKYMZJLGUMPCKD-WBMJQRKESA-N 1 0 242.366 3.570 20 30 BHEDRO CCCC[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804693 369218516 /nfs/dbraw/zinc/21/85/16/369218516.db2.gz LQPXMNULYPZNBV-BLLLJJGKSA-N 1 0 242.366 3.714 20 30 BHEDRO CCCC[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804695 369218315 /nfs/dbraw/zinc/21/83/15/369218315.db2.gz LQPXMNULYPZNBV-LRDDRELGSA-N 1 0 242.366 3.714 20 30 BHEDRO CCCC[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804698 369218067 /nfs/dbraw/zinc/21/80/67/369218067.db2.gz LQPXMNULYPZNBV-MLGOLLRUSA-N 1 0 242.366 3.714 20 30 BHEDRO CCCC[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804708 369218274 /nfs/dbraw/zinc/21/82/74/369218274.db2.gz LQPXMNULYPZNBV-WBMJQRKESA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805842 351327368 /nfs/dbraw/zinc/32/73/68/351327368.db2.gz PHQCCEICRLFUOI-GDBMZVCRSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805843 351327157 /nfs/dbraw/zinc/32/71/57/351327157.db2.gz PHQCCEICRLFUOI-GOEBONIOSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@H](CC)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805844 351327145 /nfs/dbraw/zinc/32/71/45/351327145.db2.gz PHQCCEICRLFUOI-HOCLYGCPSA-N 1 0 242.366 3.714 20 30 BHEDRO CCC[C@@H](CC)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805845 351327012 /nfs/dbraw/zinc/32/70/12/351327012.db2.gz PHQCCEICRLFUOI-ZBFHGGJFSA-N 1 0 242.366 3.714 20 30 BHEDRO CC(C)CCC[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618831292 369222962 /nfs/dbraw/zinc/22/29/62/369222962.db2.gz HAPMIFUEWVXTLO-INIZCTEOSA-N 1 0 242.366 3.571 20 30 BHEDRO CC(C)CCC[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618831293 369223084 /nfs/dbraw/zinc/22/30/84/369223084.db2.gz HAPMIFUEWVXTLO-MRXNPFEDSA-N 1 0 242.366 3.571 20 30 BHEDRO CC(C)(C)CC[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618831309 369223060 /nfs/dbraw/zinc/22/30/60/369223060.db2.gz IIPPKGYTPWDSJY-HNNXBMFYSA-N 1 0 242.366 3.571 20 30 BHEDRO CC(C)(C)CC[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618831310 369223019 /nfs/dbraw/zinc/22/30/19/369223019.db2.gz IIPPKGYTPWDSJY-OAHLLOKOSA-N 1 0 242.366 3.571 20 30 BHEDRO CCC(CC)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618831478 369223071 /nfs/dbraw/zinc/22/30/71/369223071.db2.gz STBDTEMYVKYYJA-INIZCTEOSA-N 1 0 242.366 3.571 20 30 BHEDRO CCC(CC)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618831479 369222942 /nfs/dbraw/zinc/22/29/42/369222942.db2.gz STBDTEMYVKYYJA-MRXNPFEDSA-N 1 0 242.366 3.571 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1CCCCC1 ZINC000619428910 369346833 /nfs/dbraw/zinc/34/68/33/369346833.db2.gz MGIQLZDLXLTMPK-CHWSQXEVSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1CCCCC1 ZINC000619428911 369345647 /nfs/dbraw/zinc/34/56/47/369345647.db2.gz MGIQLZDLXLTMPK-OLZOCXBDSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@H](C)C1CCCCC1 ZINC000619428912 369346006 /nfs/dbraw/zinc/34/60/06/369346006.db2.gz MGIQLZDLXLTMPK-QWHCGFSZSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H]([C@H](C)[NH2+]CC(C)(C)C#N)C1CCCCC1 ZINC000619428913 369345899 /nfs/dbraw/zinc/34/58/99/369345899.db2.gz MGIQLZDLXLTMPK-STQMWFEESA-N 1 0 236.403 3.731 20 30 BHEDRO CC(C)=CCC[C@H](C)CC[NH2+]CC(C)(C)C#N ZINC000619509298 369448084 /nfs/dbraw/zinc/44/80/84/369448084.db2.gz IKOSAWMNXUCBMF-AWEZNQCLSA-N 1 0 236.403 3.898 20 30 BHEDRO CC(C)=CCC[C@@H](C)CC[NH2+]CC(C)(C)C#N ZINC000619509299 369448413 /nfs/dbraw/zinc/44/84/13/369448413.db2.gz IKOSAWMNXUCBMF-CQSZACIVSA-N 1 0 236.403 3.898 20 30 BHEDRO C[C@H](CCC1CCCCC1)[NH2+]CC1(C#N)CC1 ZINC000619534983 369467314 /nfs/dbraw/zinc/46/73/14/369467314.db2.gz JFXANIALGADDBD-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H](CCC1CCCCC1)[NH2+]CC1(C#N)CC1 ZINC000619534984 369467348 /nfs/dbraw/zinc/46/73/48/369467348.db2.gz JFXANIALGADDBD-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)C[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000619621148 369496388 /nfs/dbraw/zinc/49/63/88/369496388.db2.gz QQNVQOCIGJLPLN-KBPBESRZSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000619621149 369496507 /nfs/dbraw/zinc/49/65/07/369496507.db2.gz QQNVQOCIGJLPLN-KGLIPLIRSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000619621150 369496534 /nfs/dbraw/zinc/49/65/34/369496534.db2.gz QQNVQOCIGJLPLN-UONOGXRCSA-N 1 0 244.382 3.891 20 30 BHEDRO CC(C)C[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000619621151 369495924 /nfs/dbraw/zinc/49/59/24/369495924.db2.gz QQNVQOCIGJLPLN-ZIAGYGMSSA-N 1 0 244.382 3.891 20 30 BHEDRO C[C@@H]([NH2+][C@H]1CCC12CCC2)c1cccc(C#N)c1 ZINC000619723854 363968032 /nfs/dbraw/zinc/96/80/32/363968032.db2.gz RJRUJHNASKNBPF-DOMZBBRYSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CCC12CCC2)c1cccc(C#N)c1 ZINC000619723855 363968317 /nfs/dbraw/zinc/96/83/17/363968317.db2.gz RJRUJHNASKNBPF-IUODEOHRSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC12CCC2)c1cccc(C#N)c1 ZINC000619723856 363967992 /nfs/dbraw/zinc/96/79/92/363967992.db2.gz RJRUJHNASKNBPF-SWLSCSKDSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+][C@H]1CCC12CCC2)c1cccc(C#N)c1 ZINC000619723857 363968002 /nfs/dbraw/zinc/96/80/02/363968002.db2.gz RJRUJHNASKNBPF-WFASDCNBSA-N 1 0 240.350 3.542 20 30 BHEDRO N#Cc1ccc(C[NH2+]C2CCCCC2)cc1Cl ZINC000619748381 369568472 /nfs/dbraw/zinc/56/84/72/369568472.db2.gz CMGXQXFAAOHOSH-UHFFFAOYSA-N 1 0 248.757 3.634 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754505 369574379 /nfs/dbraw/zinc/57/43/79/369574379.db2.gz BPYROTZRKXAEHO-LLVKDONJSA-N 1 0 248.757 3.656 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754506 369574237 /nfs/dbraw/zinc/57/42/37/369574237.db2.gz BPYROTZRKXAEHO-NSHDSACASA-N 1 0 248.757 3.656 20 30 BHEDRO C[C@@H](C[NH2+]CC1CCC(C#N)CC1)C(C)(C)C ZINC000619845906 369618890 /nfs/dbraw/zinc/61/88/90/369618890.db2.gz HLHQPFJHJDAIKE-HSBZDZAISA-N 1 0 236.403 3.588 20 30 BHEDRO C[C@H](C[NH2+]CC1CCC(C#N)CC1)C(C)(C)C ZINC000619845907 369618454 /nfs/dbraw/zinc/61/84/54/369618454.db2.gz HLHQPFJHJDAIKE-IYXRBSQSSA-N 1 0 236.403 3.588 20 30 BHEDRO C=C(C[NH2+]Cc1ccc(Cl)o1)c1ccccc1 ZINC000620756960 369994354 /nfs/dbraw/zinc/99/43/54/369994354.db2.gz WZXPDMILYJLRKN-UHFFFAOYSA-N 1 0 247.725 3.736 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccnc(C)c1 ZINC000621259283 370192076 /nfs/dbraw/zinc/19/20/76/370192076.db2.gz QEZYFUGQYIJCBI-UHFFFAOYSA-N 1 0 232.371 3.568 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000621277110 370208198 /nfs/dbraw/zinc/20/81/98/370208198.db2.gz XSMRDOJRFJZUCM-UHFFFAOYSA-N 1 0 217.356 3.620 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000621281342 370213800 /nfs/dbraw/zinc/21/38/00/370213800.db2.gz BRQHYIIZJZBPDB-AWEZNQCLSA-N 1 0 217.356 3.872 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000621281343 370213821 /nfs/dbraw/zinc/21/38/21/370213821.db2.gz BRQHYIIZJZBPDB-CQSZACIVSA-N 1 0 217.356 3.872 20 30 BHEDRO C=C(C)C[N@@H+](CCC)Cc1ccccc1F ZINC000621296881 370224976 /nfs/dbraw/zinc/22/49/76/370224976.db2.gz PRPWURHMDHFQPG-UHFFFAOYSA-N 1 0 221.319 3.614 20 30 BHEDRO C=C(C)C[N@H+](Cc1cccc(OC)c1)CC(C)C ZINC000621310934 370236191 /nfs/dbraw/zinc/23/61/91/370236191.db2.gz JAGGSEUADZWJDZ-UHFFFAOYSA-N 1 0 247.382 3.729 20 30 BHEDRO C=CC[N@@H+](CCc1ccc(F)cc1)CC(C)C ZINC000621316528 370244300 /nfs/dbraw/zinc/24/43/00/370244300.db2.gz DEPIZPQCHAQLLC-UHFFFAOYSA-N 1 0 235.346 3.512 20 30 BHEDRO C=C(C)C[N@@H+](CCc1ccc(F)cc1)CC(C)C ZINC000621316697 370243670 /nfs/dbraw/zinc/24/36/70/370243670.db2.gz UTASRNNRJOBMQZ-UHFFFAOYSA-N 1 0 249.373 3.902 20 30 BHEDRO C=CC[N@@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000621317528 370244362 /nfs/dbraw/zinc/24/43/62/370244362.db2.gz ICYHIRVGVIWVQN-CYBMUJFWSA-N 1 0 221.344 3.937 20 30 BHEDRO C=CC[N@@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000621317529 370244068 /nfs/dbraw/zinc/24/40/68/370244068.db2.gz ICYHIRVGVIWVQN-ZDUSSCGKSA-N 1 0 221.344 3.937 20 30 BHEDRO C=CC[N@H+](Cc1cncc(Cl)c1)C(C)(C)C ZINC000621321582 370249013 /nfs/dbraw/zinc/24/90/13/370249013.db2.gz OEUGAHSHZZZWBV-UHFFFAOYSA-N 1 0 238.762 3.522 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621400715 370338892 /nfs/dbraw/zinc/33/88/92/370338892.db2.gz PWXFJYGRJMKCSH-GFCCVEGCSA-N 1 0 231.330 3.756 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621400716 370335244 /nfs/dbraw/zinc/33/52/44/370335244.db2.gz PWXFJYGRJMKCSH-LBPRGKRZSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621733279 370488795 /nfs/dbraw/zinc/48/87/95/370488795.db2.gz HIEVQNGXHJENPQ-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621733280 370488332 /nfs/dbraw/zinc/48/83/32/370488332.db2.gz HIEVQNGXHJENPQ-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621733281 370488433 /nfs/dbraw/zinc/48/84/33/370488433.db2.gz HIEVQNGXHJENPQ-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621733282 370488411 /nfs/dbraw/zinc/48/84/11/370488411.db2.gz HIEVQNGXHJENPQ-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734118 343884467 /nfs/dbraw/zinc/88/44/67/343884467.db2.gz FUXIAAUWZICTMW-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CC1(F)F ZINC000621734119 343884484 /nfs/dbraw/zinc/88/44/84/343884484.db2.gz FUXIAAUWZICTMW-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC[C@H]1CC1(F)F ZINC000621734120 343884561 /nfs/dbraw/zinc/88/45/61/343884561.db2.gz FUXIAAUWZICTMW-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734121 343884540 /nfs/dbraw/zinc/88/45/40/343884540.db2.gz FUXIAAUWZICTMW-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621768520 370510781 /nfs/dbraw/zinc/51/07/81/370510781.db2.gz QNRATVLDBVGCIC-AGIUHOORSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621768521 370510544 /nfs/dbraw/zinc/51/05/44/370510544.db2.gz QNRATVLDBVGCIC-FRRDWIJNSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621768522 370510764 /nfs/dbraw/zinc/51/07/64/370510764.db2.gz QNRATVLDBVGCIC-JHJVBQTASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621768523 370510462 /nfs/dbraw/zinc/51/04/62/370510462.db2.gz QNRATVLDBVGCIC-UPJWGTAASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[N@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000621826380 370550899 /nfs/dbraw/zinc/55/08/99/370550899.db2.gz VJSYUCJEHIEUNA-HOTGVXAUSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000621826381 370551414 /nfs/dbraw/zinc/55/14/14/370551414.db2.gz VJSYUCJEHIEUNA-HZPDHXFCSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CC[N@H+]1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000621826382 370551235 /nfs/dbraw/zinc/55/12/35/370551235.db2.gz VJSYUCJEHIEUNA-JKSUJKDBSA-N 1 0 229.367 3.831 20 30 BHEDRO C=CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000622261004 370808242 /nfs/dbraw/zinc/80/82/42/370808242.db2.gz UAMZMMLVOBVXRQ-CQSZACIVSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623423133 358208868 /nfs/dbraw/zinc/20/88/68/358208868.db2.gz WREQKBVNFXJZQK-MRVPVSSYSA-N 1 0 249.301 3.821 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623423134 358208741 /nfs/dbraw/zinc/20/87/41/358208741.db2.gz WREQKBVNFXJZQK-QMMMGPOBSA-N 1 0 249.301 3.821 20 30 BHEDRO C=CCCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000623510175 362935503 /nfs/dbraw/zinc/93/55/03/362935503.db2.gz KPVDHHJBVSMNDH-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=CCCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623510393 362935071 /nfs/dbraw/zinc/93/50/71/362935071.db2.gz VHXLCXCZMZGQDX-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=C(C)CC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623538903 362958452 /nfs/dbraw/zinc/95/84/52/362958452.db2.gz ZYMCSUASXMTUJM-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=CCC1(C[NH2+]Cc2ccnc(C)c2)CCCC1 ZINC000623541452 362960261 /nfs/dbraw/zinc/96/02/61/362960261.db2.gz KNZRTOVAWJWLMC-UHFFFAOYSA-N 1 0 244.382 3.616 20 30 BHEDRO C=C(CC)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623542448 362960356 /nfs/dbraw/zinc/96/03/56/362960356.db2.gz BADVHGQVRYIOPK-UHFFFAOYSA-N 1 0 249.301 3.823 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccncc1Cl ZINC000623575075 363004817 /nfs/dbraw/zinc/00/48/17/363004817.db2.gz IXSSTQNKQKAQBN-UHFFFAOYSA-N 1 0 238.762 3.569 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(Cl)o1 ZINC000623592303 363027086 /nfs/dbraw/zinc/02/70/86/363027086.db2.gz GEVLSNFJDGNDGF-UHFFFAOYSA-N 1 0 227.735 3.625 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000623592775 363027568 /nfs/dbraw/zinc/02/75/68/363027568.db2.gz AFPVEXOHAOLVLJ-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000623592791 363028333 /nfs/dbraw/zinc/02/83/33/363028333.db2.gz BIHAIDYYFYUQJM-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623592798 363028194 /nfs/dbraw/zinc/02/81/94/363028194.db2.gz BPAOLJOZLXGSNO-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1cc2cnccc2o1 ZINC000623592815 363028139 /nfs/dbraw/zinc/02/81/39/363028139.db2.gz CIMUOWJUWYDKCS-UHFFFAOYSA-N 1 0 244.338 3.520 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000623592903 363028127 /nfs/dbraw/zinc/02/81/27/363028127.db2.gz IEFAXLWTWDTYDG-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(COC)cc1 ZINC000623592937 363027537 /nfs/dbraw/zinc/02/75/37/363027537.db2.gz KIHWNQRHQVRKOA-UHFFFAOYSA-N 1 0 247.382 3.525 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000623592972 363028235 /nfs/dbraw/zinc/02/82/35/363028235.db2.gz MNKVADJEFKBLTM-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(COC)c1 ZINC000623593052 363029424 /nfs/dbraw/zinc/02/94/24/363029424.db2.gz QZLDJIRTTSYBCS-UHFFFAOYSA-N 1 0 247.382 3.525 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1cc2cccnc2o1 ZINC000623593093 363029439 /nfs/dbraw/zinc/02/94/39/363029439.db2.gz STAIEEPCRXZVJU-UHFFFAOYSA-N 1 0 244.338 3.520 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](CC)CCc1ccccc1 ZINC000623904465 371148267 /nfs/dbraw/zinc/14/82/67/371148267.db2.gz BYZQBCULWHUJMA-DZGCQCFKSA-N 1 0 217.356 3.562 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)CCc1ccccc1 ZINC000623904468 371147983 /nfs/dbraw/zinc/14/79/83/371147983.db2.gz BYZQBCULWHUJMA-HIFRSBDPSA-N 1 0 217.356 3.562 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](CC)CCc1ccccc1 ZINC000623904469 371148565 /nfs/dbraw/zinc/14/85/65/371148565.db2.gz BYZQBCULWHUJMA-UKRRQHHQSA-N 1 0 217.356 3.562 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](CC)CCc1ccccc1 ZINC000623904471 371148150 /nfs/dbraw/zinc/14/81/50/371148150.db2.gz BYZQBCULWHUJMA-ZFWWWQNUSA-N 1 0 217.356 3.562 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000624011518 371247377 /nfs/dbraw/zinc/24/73/77/371247377.db2.gz BUXRIIOTQNKOTG-CYBMUJFWSA-N 1 0 239.721 3.632 20 30 BHEDRO C=CCC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000624011519 371247573 /nfs/dbraw/zinc/24/75/73/371247573.db2.gz BUXRIIOTQNKOTG-ZDUSSCGKSA-N 1 0 239.721 3.632 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)CCc1ccccc1 ZINC000624012201 371249082 /nfs/dbraw/zinc/24/90/82/371249082.db2.gz UDMBDEDDFOGVLL-HNNXBMFYSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCC[NH2+][C@H](CC)CCc1ccccc1 ZINC000624012202 371248168 /nfs/dbraw/zinc/24/81/68/371248168.db2.gz UDMBDEDDFOGVLL-OAHLLOKOSA-N 1 0 217.356 3.564 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC[C@H]1CCCOC1 ZINC000624035688 371264189 /nfs/dbraw/zinc/26/41/89/371264189.db2.gz ICXCKHJILICSNK-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035689 371264209 /nfs/dbraw/zinc/26/42/09/371264209.db2.gz ICXCKHJILICSNK-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CCCOC1 ZINC000624035690 371263481 /nfs/dbraw/zinc/26/34/81/371263481.db2.gz ICXCKHJILICSNK-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035691 371263716 /nfs/dbraw/zinc/26/37/16/371263716.db2.gz ICXCKHJILICSNK-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000624036846 371264933 /nfs/dbraw/zinc/26/49/33/371264933.db2.gz AFWBARCEQVJZJE-CYBMUJFWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000624036847 371264739 /nfs/dbraw/zinc/26/47/39/371264739.db2.gz AFWBARCEQVJZJE-ZDUSSCGKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1nc(C)cs1 ZINC000624036891 371265175 /nfs/dbraw/zinc/26/51/75/371265175.db2.gz COTIWVAADCDEOT-LLVKDONJSA-N 1 0 238.400 3.704 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000624036892 371265184 /nfs/dbraw/zinc/26/51/84/371265184.db2.gz COTIWVAADCDEOT-NSHDSACASA-N 1 0 238.400 3.704 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000624037013 350042741 /nfs/dbraw/zinc/04/27/41/350042741.db2.gz IVCQSJRGVMEVKP-JTQLQIEISA-N 1 0 238.400 3.704 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1csc(C)n1 ZINC000624037014 350042569 /nfs/dbraw/zinc/04/25/69/350042569.db2.gz IVCQSJRGVMEVKP-SNVBAGLBSA-N 1 0 238.400 3.704 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ncccc1CC ZINC000624037047 371265090 /nfs/dbraw/zinc/26/50/90/371265090.db2.gz KBXDGIQGHTXANH-CYBMUJFWSA-N 1 0 246.398 3.897 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ncccc1CC ZINC000624037048 371264828 /nfs/dbraw/zinc/26/48/28/371264828.db2.gz KBXDGIQGHTXANH-ZDUSSCGKSA-N 1 0 246.398 3.897 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](CC)c1ccncc1 ZINC000624037155 371265036 /nfs/dbraw/zinc/26/50/36/371265036.db2.gz ODIWHAFJYBOWFB-AWEZNQCLSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](CC)c1ccncc1 ZINC000624037156 371265212 /nfs/dbraw/zinc/26/52/12/371265212.db2.gz ODIWHAFJYBOWFB-CQSZACIVSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CCC(F)(F)F ZINC000624037181 371262394 /nfs/dbraw/zinc/26/23/94/371262394.db2.gz PEQZGOHMQJXTCE-JTQLQIEISA-N 1 0 237.309 3.909 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)CCC(F)(F)F ZINC000624037182 371262158 /nfs/dbraw/zinc/26/21/58/371262158.db2.gz PEQZGOHMQJXTCE-SNVBAGLBSA-N 1 0 237.309 3.909 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000624037207 371265305 /nfs/dbraw/zinc/26/53/05/371265305.db2.gz QFHGHLHMUBGJEH-JTQLQIEISA-N 1 0 233.346 3.858 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000624037208 371265325 /nfs/dbraw/zinc/26/53/25/371265325.db2.gz QFHGHLHMUBGJEH-SNVBAGLBSA-N 1 0 233.346 3.858 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624037209 371264627 /nfs/dbraw/zinc/26/46/27/371264627.db2.gz QIWOSSYCJWBJKB-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000624037210 371265200 /nfs/dbraw/zinc/26/52/00/371265200.db2.gz QIWOSSYCJWBJKB-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000624037211 371265069 /nfs/dbraw/zinc/26/50/69/371265069.db2.gz QIWOSSYCJWBJKB-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000624037212 371261919 /nfs/dbraw/zinc/26/19/19/371261919.db2.gz QIWOSSYCJWBJKB-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)C1(OC)CCCC1 ZINC000624037217 371264721 /nfs/dbraw/zinc/26/47/21/371264721.db2.gz QNFUSCSPMDLQCA-CYBMUJFWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000624037218 371264947 /nfs/dbraw/zinc/26/49/47/371264947.db2.gz QNFUSCSPMDLQCA-ZDUSSCGKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cncc(C)c1 ZINC000624037323 371265062 /nfs/dbraw/zinc/26/50/62/371265062.db2.gz VYJOTZPBXWPZIA-CYBMUJFWSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000624037324 371265333 /nfs/dbraw/zinc/26/53/33/371265333.db2.gz VYJOTZPBXWPZIA-ZDUSSCGKSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CC(C)(C)CC[NH2+]C1CCC(OCC)CC1 ZINC000624037402 371266456 /nfs/dbraw/zinc/26/64/56/371266456.db2.gz ZMKZACVYLPFHNM-UHFFFAOYSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)C1CCSCC1 ZINC000624037409 350063293 /nfs/dbraw/zinc/06/32/93/350063293.db2.gz ZYVDSURKLQKHOH-GFCCVEGCSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000624037410 350063739 /nfs/dbraw/zinc/06/37/39/350063739.db2.gz ZYVDSURKLQKHOH-LBPRGKRZSA-N 1 0 241.444 3.710 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cnccc1C ZINC000624037672 371266122 /nfs/dbraw/zinc/26/61/22/371266122.db2.gz CAPVGXNZNZZBJD-CYBMUJFWSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cnccc1C ZINC000624037673 371266280 /nfs/dbraw/zinc/26/62/80/371266280.db2.gz CAPVGXNZNZZBJD-ZDUSSCGKSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(C)o1 ZINC000624037724 371266552 /nfs/dbraw/zinc/26/65/52/371266552.db2.gz FLUQKLHDXQZXDQ-GFCCVEGCSA-N 1 0 221.344 3.841 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000624037725 371266428 /nfs/dbraw/zinc/26/64/28/371266428.db2.gz FLUQKLHDXQZXDQ-LBPRGKRZSA-N 1 0 221.344 3.841 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)Cc1ccsc1 ZINC000624037737 371265773 /nfs/dbraw/zinc/26/57/73/371265773.db2.gz GFNMHXFFNYSDBV-GFCCVEGCSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)Cc1ccsc1 ZINC000624037738 371266259 /nfs/dbraw/zinc/26/62/59/371266259.db2.gz GFNMHXFFNYSDBV-LBPRGKRZSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)CCc1ccco1 ZINC000624037741 371265827 /nfs/dbraw/zinc/26/58/27/371265827.db2.gz GHUBREAZHOLEIF-CYBMUJFWSA-N 1 0 235.371 3.793 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000624037742 371266252 /nfs/dbraw/zinc/26/62/52/371266252.db2.gz GHUBREAZHOLEIF-ZDUSSCGKSA-N 1 0 235.371 3.793 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](c1cccnc1)C(C)C ZINC000624037747 350084200 /nfs/dbraw/zinc/08/42/00/350084200.db2.gz GODLYJOKEUCDLT-HNNXBMFYSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000624037748 350084135 /nfs/dbraw/zinc/08/41/35/350084135.db2.gz GODLYJOKEUCDLT-OAHLLOKOSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000624037865 371265945 /nfs/dbraw/zinc/26/59/45/371265945.db2.gz KPENBJBEKFQYOR-CYBMUJFWSA-N 1 0 246.398 3.951 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000624037867 371266330 /nfs/dbraw/zinc/26/63/30/371266330.db2.gz KPENBJBEKFQYOR-ZDUSSCGKSA-N 1 0 246.398 3.951 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccco1 ZINC000624037974 371266610 /nfs/dbraw/zinc/26/66/10/371266610.db2.gz NCSNUIHIKYYTGM-LLVKDONJSA-N 1 0 207.317 3.533 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccco1 ZINC000624037979 371266108 /nfs/dbraw/zinc/26/61/08/371266108.db2.gz NCSNUIHIKYYTGM-NSHDSACASA-N 1 0 207.317 3.533 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccoc1 ZINC000624038070 371265939 /nfs/dbraw/zinc/26/59/39/371265939.db2.gz PQNUDILBAMKQFP-LLVKDONJSA-N 1 0 207.317 3.533 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccoc1 ZINC000624038071 371265992 /nfs/dbraw/zinc/26/59/92/371265992.db2.gz PQNUDILBAMKQFP-NSHDSACASA-N 1 0 207.317 3.533 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000624038089 371265985 /nfs/dbraw/zinc/26/59/85/371265985.db2.gz QJYKBWXETQCZTK-JTQLQIEISA-N 1 0 238.400 3.704 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cnc(C)s1 ZINC000624038090 371262641 /nfs/dbraw/zinc/26/26/41/371262641.db2.gz QJYKBWXETQCZTK-SNVBAGLBSA-N 1 0 238.400 3.704 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000624038099 350088583 /nfs/dbraw/zinc/08/85/83/350088583.db2.gz RCYLEAMFINYRAO-GFCCVEGCSA-N 1 0 233.355 3.645 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000624038100 350088648 /nfs/dbraw/zinc/08/86/48/350088648.db2.gz RCYLEAMFINYRAO-LBPRGKRZSA-N 1 0 233.355 3.645 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000624038185 350092654 /nfs/dbraw/zinc/09/26/54/350092654.db2.gz UZMRGWNGRFEGDR-CYBMUJFWSA-N 1 0 249.402 3.717 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000624038186 350092574 /nfs/dbraw/zinc/09/25/74/350092574.db2.gz UZMRGWNGRFEGDR-ZDUSSCGKSA-N 1 0 249.402 3.717 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)Cc1cccs1 ZINC000624038238 371266452 /nfs/dbraw/zinc/26/64/52/371266452.db2.gz YFTZINOGASCBLF-GFCCVEGCSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)Cc1cccs1 ZINC000624038239 371266580 /nfs/dbraw/zinc/26/65/80/371266580.db2.gz YFTZINOGASCBLF-LBPRGKRZSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1CC=CC1)c1ccco1 ZINC000624076652 410173717 /nfs/dbraw/zinc/17/37/17/410173717.db2.gz AGSGRQMWKIEPQY-AWEZNQCLSA-N 1 0 231.339 3.843 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1CC=CC1)c1ccco1 ZINC000624076653 410172613 /nfs/dbraw/zinc/17/26/13/410172613.db2.gz AGSGRQMWKIEPQY-CQSZACIVSA-N 1 0 231.339 3.843 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000624104628 345361599 /nfs/dbraw/zinc/36/15/99/345361599.db2.gz AVTICLQBKPOTSL-BBRMVZONSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000624104629 345362001 /nfs/dbraw/zinc/36/20/01/345362001.db2.gz AVTICLQBKPOTSL-CJNGLKHVSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000624104630 345362178 /nfs/dbraw/zinc/36/21/78/345362178.db2.gz AVTICLQBKPOTSL-CZUORRHYSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000624104631 345362189 /nfs/dbraw/zinc/36/21/89/345362189.db2.gz AVTICLQBKPOTSL-XJKSGUPXSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624111787 371317001 /nfs/dbraw/zinc/31/70/01/371317001.db2.gz FHBKRBDORWTJTA-AWEZNQCLSA-N 1 0 246.398 3.612 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000624111788 371316671 /nfs/dbraw/zinc/31/66/71/371316671.db2.gz FHBKRBDORWTJTA-CQSZACIVSA-N 1 0 246.398 3.612 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1cccnc1C ZINC000624163020 371354296 /nfs/dbraw/zinc/35/42/96/371354296.db2.gz ORJCJTMRUWNJBB-HNNXBMFYSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cccnc1C ZINC000624163030 371355044 /nfs/dbraw/zinc/35/50/44/371355044.db2.gz ORJCJTMRUWNJBB-OAHLLOKOSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC12CC2 ZINC000624314035 371477792 /nfs/dbraw/zinc/47/77/92/371477792.db2.gz AQGCLALSNSNSDJ-CHWSQXEVSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624314036 371477534 /nfs/dbraw/zinc/47/75/34/371477534.db2.gz AQGCLALSNSNSDJ-OLZOCXBDSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCC12CC2 ZINC000624314037 371477337 /nfs/dbraw/zinc/47/73/37/371477337.db2.gz AQGCLALSNSNSDJ-QWHCGFSZSA-N 1 0 207.361 3.511 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC12CC2 ZINC000624314038 371477849 /nfs/dbraw/zinc/47/78/49/371477849.db2.gz AQGCLALSNSNSDJ-STQMWFEESA-N 1 0 207.361 3.511 20 30 BHEDRO C=C(C)CN(C)Cc1nc2cc(C)ccc2s1 ZINC000625312938 343231218 /nfs/dbraw/zinc/23/12/18/343231218.db2.gz HMRKVTDMYAJELC-UHFFFAOYSA-N 1 0 246.379 3.613 20 30 BHEDRO C=CCCCC[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625653515 398236071 /nfs/dbraw/zinc/23/60/71/398236071.db2.gz SEOSCYHDKZFLNP-RYUDHWBXSA-N 1 0 231.330 3.566 20 30 BHEDRO C=CCCCC[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625653516 398236027 /nfs/dbraw/zinc/23/60/27/398236027.db2.gz SEOSCYHDKZFLNP-TXEJJXNPSA-N 1 0 231.330 3.566 20 30 BHEDRO C=CCCCC[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625653517 398236069 /nfs/dbraw/zinc/23/60/69/398236069.db2.gz SEOSCYHDKZFLNP-VXGBXAGGSA-N 1 0 231.330 3.566 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000625700395 344039594 /nfs/dbraw/zinc/03/95/94/344039594.db2.gz BLPVVZASDNRJSD-GFCCVEGCSA-N 1 0 243.341 3.710 20 30 BHEDRO C=CC[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000625700399 344039323 /nfs/dbraw/zinc/03/93/23/344039323.db2.gz BLPVVZASDNRJSD-LBPRGKRZSA-N 1 0 243.341 3.710 20 30 BHEDRO C=CC[C@H]1CC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000625703346 344048386 /nfs/dbraw/zinc/04/83/86/344048386.db2.gz SLQWOQHCFUCZOQ-NEPJUHHUSA-N 1 0 231.330 3.566 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000625703746 344048315 /nfs/dbraw/zinc/04/83/15/344048315.db2.gz SLQWOQHCFUCZOQ-NWDGAFQWSA-N 1 0 231.330 3.566 20 30 BHEDRO C=CC[C@H]1CC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000625703749 344048416 /nfs/dbraw/zinc/04/84/16/344048416.db2.gz SLQWOQHCFUCZOQ-RYUDHWBXSA-N 1 0 231.330 3.566 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000625703753 344048322 /nfs/dbraw/zinc/04/83/22/344048322.db2.gz SLQWOQHCFUCZOQ-VXGBXAGGSA-N 1 0 231.330 3.566 20 30 BHEDRO C=CC[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000625704596 344049843 /nfs/dbraw/zinc/04/98/43/344049843.db2.gz YTRNLQZSUQXGSN-CYBMUJFWSA-N 1 0 235.396 3.579 20 30 BHEDRO C=CC[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000625704606 344049719 /nfs/dbraw/zinc/04/97/19/344049719.db2.gz YTRNLQZSUQXGSN-ZDUSSCGKSA-N 1 0 235.396 3.579 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000625705041 344049515 /nfs/dbraw/zinc/04/95/15/344049515.db2.gz QQWOCNYVQWERSV-LLVKDONJSA-N 1 0 235.293 3.617 20 30 BHEDRO C=CC[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000625705042 344049587 /nfs/dbraw/zinc/04/95/87/344049587.db2.gz QQWOCNYVQWERSV-NSHDSACASA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCCCCC[N@H+]1CCCC(F)(F)CC1 ZINC000625770527 344066081 /nfs/dbraw/zinc/06/60/81/344066081.db2.gz LYWRBXDIEPLFPW-UHFFFAOYSA-N 1 0 231.330 3.854 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCCC(F)(F)CC1 ZINC000625770786 344066448 /nfs/dbraw/zinc/06/64/48/344066448.db2.gz SVTNKAYSKVOIGD-GFCCVEGCSA-N 1 0 231.330 3.852 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCCC(F)(F)CC1 ZINC000625770787 344066333 /nfs/dbraw/zinc/06/63/33/344066333.db2.gz SVTNKAYSKVOIGD-LBPRGKRZSA-N 1 0 231.330 3.852 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625776381 344071128 /nfs/dbraw/zinc/07/11/28/344071128.db2.gz FUABYYQYESSIML-MCIONIFRSA-N 1 0 239.428 3.701 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625776383 344070992 /nfs/dbraw/zinc/07/09/92/344070992.db2.gz FUABYYQYESSIML-MJBXVCDLSA-N 1 0 239.428 3.701 20 30 BHEDRO C=CCCCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625785893 344074115 /nfs/dbraw/zinc/07/41/15/344074115.db2.gz IMMHIYSGFHROKM-INIZCTEOSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCCCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625785895 344073961 /nfs/dbraw/zinc/07/39/61/344073961.db2.gz IMMHIYSGFHROKM-MRXNPFEDSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCC1([NH2+]Cc2cccc(C)n2)CCCCC1 ZINC000625934181 344573848 /nfs/dbraw/zinc/57/38/48/344573848.db2.gz DIWIJLVKLXGTBB-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=CCC1([NH2+]Cc2nc(C)oc2C)CCCCC1 ZINC000625934187 344574251 /nfs/dbraw/zinc/57/42/51/344574251.db2.gz DMKILLHTARHIQI-UHFFFAOYSA-N 1 0 248.370 3.660 20 30 BHEDRO C=CCC1([NH2+]Cc2oc(C)nc2C)CCCCC1 ZINC000625934223 344574244 /nfs/dbraw/zinc/57/42/44/344574244.db2.gz FONGEOCZGFDJRX-UHFFFAOYSA-N 1 0 248.370 3.660 20 30 BHEDRO C=CCC1([NH2+]Cc2cncc(C)c2)CCCCC1 ZINC000625934224 344573801 /nfs/dbraw/zinc/57/38/01/344573801.db2.gz FOSITHGQWJHDBF-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=CCC1([NH2+]CCC(F)(F)F)CCCCC1 ZINC000625934256 344573897 /nfs/dbraw/zinc/57/38/97/344573897.db2.gz HBKUQKRXQXAGMM-UHFFFAOYSA-N 1 0 235.293 3.807 20 30 BHEDRO C=CCC1([NH2+]Cc2conc2CC)CCCCC1 ZINC000625934283 344574224 /nfs/dbraw/zinc/57/42/24/344574224.db2.gz IDPXDLWNRQKZLL-UHFFFAOYSA-N 1 0 248.370 3.606 20 30 BHEDRO C=CCC1([NH2+]CCC(C)(C)OC)CCCCC1 ZINC000625934454 344573982 /nfs/dbraw/zinc/57/39/82/344573982.db2.gz NYZBDFXAUNQNKG-UHFFFAOYSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC1([NH2+]CCCCCF)CCCCC1 ZINC000625934579 344574593 /nfs/dbraw/zinc/57/45/93/344574593.db2.gz SNVPMVNNQWHSDW-UHFFFAOYSA-N 1 0 227.367 3.995 20 30 BHEDRO C=CCC1([NH2+]Cc2c(C)noc2C)CCCCC1 ZINC000625934624 344574420 /nfs/dbraw/zinc/57/44/20/344574420.db2.gz UUGLJNAJXZYBJY-UHFFFAOYSA-N 1 0 248.370 3.660 20 30 BHEDRO C=CCC1([NH2+]CCCCF)CCCCC1 ZINC000625934629 344574741 /nfs/dbraw/zinc/57/47/41/344574741.db2.gz UXEUZVVUMXFCOO-UHFFFAOYSA-N 1 0 213.340 3.605 20 30 BHEDRO C=CCC1([NH2+]Cc2cc(C)ccn2)CCCCC1 ZINC000625934700 344574615 /nfs/dbraw/zinc/57/46/15/344574615.db2.gz XJANKXMGSMNZMU-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=CCC1([NH2+]CCOC(C)(C)C)CCCCC1 ZINC000625935358 344572180 /nfs/dbraw/zinc/57/21/80/344572180.db2.gz XKRMIRLBGDYKMS-UHFFFAOYSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC1([NH2+]CCCCCOC)CCCCC1 ZINC000625936501 344572635 /nfs/dbraw/zinc/57/26/35/344572635.db2.gz OBGXYFZSAWPQLI-UHFFFAOYSA-N 1 0 239.403 3.672 20 30 BHEDRO C=CCC1([NH2+]CCCOC(C)C)CCCCC1 ZINC000625936731 344573402 /nfs/dbraw/zinc/57/34/02/344573402.db2.gz VQIYCNALAAFFTP-UHFFFAOYSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC1([NH2+]Cc2nc(C)c(C)o2)CCCCC1 ZINC000625936785 344573534 /nfs/dbraw/zinc/57/35/34/344573534.db2.gz XKBRYRSUEKZRFE-UHFFFAOYSA-N 1 0 248.370 3.660 20 30 BHEDRO C=CCC1([NH2+]Cc2ncc(CC)o2)CCCCC1 ZINC000625936791 344573220 /nfs/dbraw/zinc/57/32/20/344573220.db2.gz XPRYITAKLAWUSP-UHFFFAOYSA-N 1 0 248.370 3.606 20 30 BHEDRO C=CCCCCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000625980789 344647437 /nfs/dbraw/zinc/64/74/37/344647437.db2.gz QSQBFTRKAULJDQ-GFCCVEGCSA-N 1 0 231.330 3.852 20 30 BHEDRO C=CCCCCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980790 344647503 /nfs/dbraw/zinc/64/75/03/344647503.db2.gz QSQBFTRKAULJDQ-LBPRGKRZSA-N 1 0 231.330 3.852 20 30 BHEDRO C=C(C)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626177896 346841865 /nfs/dbraw/zinc/84/18/65/346841865.db2.gz YIOUIHOZNWBLAY-UHFFFAOYSA-N 1 0 237.293 3.510 20 30 BHEDRO C=CCC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178315 346857683 /nfs/dbraw/zinc/85/76/83/346857683.db2.gz PDGUPSRTWPOROV-UHFFFAOYSA-N 1 0 237.293 3.510 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628172680 344892798 /nfs/dbraw/zinc/89/27/98/344892798.db2.gz QOJWKAKEKSNPHE-UHFFFAOYSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[N@@H+](Cc1cnc(C)o1)CC1CCCCC1 ZINC000628173553 344894682 /nfs/dbraw/zinc/89/46/82/344894682.db2.gz AIIOSLBZDXOJKE-UHFFFAOYSA-N 1 0 248.370 3.551 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628179338 344913893 /nfs/dbraw/zinc/91/38/93/344913893.db2.gz WQNRMQHEWGFPJE-UHFFFAOYSA-N 1 0 248.370 3.730 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628180167 344918375 /nfs/dbraw/zinc/91/83/75/344918375.db2.gz DTQPFSVTYXYOSJ-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000628180610 344918134 /nfs/dbraw/zinc/91/81/34/344918134.db2.gz WMNOKWSNWPLKIX-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628216372 345923382 /nfs/dbraw/zinc/92/33/82/345923382.db2.gz LOMORIJXOGEFLG-KBPBESRZSA-N 1 0 217.356 3.653 20 30 BHEDRO C=CC[C@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628216373 345923392 /nfs/dbraw/zinc/92/33/92/345923392.db2.gz LOMORIJXOGEFLG-KGLIPLIRSA-N 1 0 217.356 3.653 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628216374 345923525 /nfs/dbraw/zinc/92/35/25/345923525.db2.gz LOMORIJXOGEFLG-UONOGXRCSA-N 1 0 217.356 3.653 20 30 BHEDRO C=CC[C@@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628216375 345923296 /nfs/dbraw/zinc/92/32/96/345923296.db2.gz LOMORIJXOGEFLG-ZIAGYGMSSA-N 1 0 217.356 3.653 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628231906 346184766 /nfs/dbraw/zinc/18/47/66/346184766.db2.gz GBWHVRLWGUDDRZ-GHMZBOCLSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628231907 346184595 /nfs/dbraw/zinc/18/45/95/346184595.db2.gz GBWHVRLWGUDDRZ-MNOVXSKESA-N 1 0 231.330 3.755 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628231908 346184559 /nfs/dbraw/zinc/18/45/59/346184559.db2.gz GBWHVRLWGUDDRZ-QWRGUYRKSA-N 1 0 231.330 3.755 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628231909 346184554 /nfs/dbraw/zinc/18/45/54/346184554.db2.gz GBWHVRLWGUDDRZ-WDEREUQCSA-N 1 0 231.330 3.755 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccsc1C(F)(F)F ZINC000628234896 346188658 /nfs/dbraw/zinc/18/86/58/346188658.db2.gz QTGIEURDFCWNQU-UHFFFAOYSA-N 1 0 249.301 3.775 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628235070 346188475 /nfs/dbraw/zinc/18/84/75/346188475.db2.gz YBDUOWHZUAPWJW-UHFFFAOYSA-N 1 0 249.301 3.775 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2cnc(C)o2)CCCC1(C)C ZINC000628253142 346227207 /nfs/dbraw/zinc/22/72/07/346227207.db2.gz WBMRHKIKJMRUQW-AWEZNQCLSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2cnc(C)o2)CCCC1(C)C ZINC000628253143 346227386 /nfs/dbraw/zinc/22/73/86/346227386.db2.gz WBMRHKIKJMRUQW-CQSZACIVSA-N 1 0 248.370 3.550 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000628254003 346235190 /nfs/dbraw/zinc/23/51/90/346235190.db2.gz HWLYXTIXGFQCJG-HNNXBMFYSA-N 1 0 240.350 3.708 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000628254004 346235142 /nfs/dbraw/zinc/23/51/42/346235142.db2.gz HWLYXTIXGFQCJG-OAHLLOKOSA-N 1 0 240.350 3.708 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628294042 347178380 /nfs/dbraw/zinc/17/83/80/347178380.db2.gz CYUYPECMPMGEIX-JTQLQIEISA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628294043 347178741 /nfs/dbraw/zinc/17/87/41/347178741.db2.gz CYUYPECMPMGEIX-SNVBAGLBSA-N 1 0 231.330 3.612 20 30 BHEDRO C=C(C)CC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628298626 347326953 /nfs/dbraw/zinc/32/69/53/347326953.db2.gz MIRPBJJFBTWUAF-AWEZNQCLSA-N 1 0 217.356 3.654 20 30 BHEDRO C=C(C)CC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628298627 347326512 /nfs/dbraw/zinc/32/65/12/347326512.db2.gz MIRPBJJFBTWUAF-CQSZACIVSA-N 1 0 217.356 3.654 20 30 BHEDRO C=CCC1(C[NH2+]Cc2oc(C)nc2C)CCCC1 ZINC000628300366 348310215 /nfs/dbraw/zinc/31/02/15/348310215.db2.gz BYUMKKFWDYMNQV-UHFFFAOYSA-N 1 0 248.370 3.518 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628327064 351263412 /nfs/dbraw/zinc/26/34/12/351263412.db2.gz HBGUHHLQKZCCSH-LLVKDONJSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628327065 351263901 /nfs/dbraw/zinc/26/39/01/351263901.db2.gz HBGUHHLQKZCCSH-NSHDSACASA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2cnc(C)o2)CCCC1 ZINC000628337790 351281152 /nfs/dbraw/zinc/28/11/52/351281152.db2.gz RFATVGDZYKVZLM-UHFFFAOYSA-N 1 0 248.370 3.599 20 30 BHEDRO C=CCC1([NH2+]Cc2cnc(C3CC3)o2)CCCC1 ZINC000628342987 351288805 /nfs/dbraw/zinc/28/88/05/351288805.db2.gz VDPCTCBIOQPVQB-UHFFFAOYSA-N 1 0 246.354 3.531 20 30 BHEDRO C=CC(C)(C)CC[NH2+]CCCc1ccc(C)nc1 ZINC000628378931 356700754 /nfs/dbraw/zinc/70/07/54/356700754.db2.gz IROGCDOPISYKMC-UHFFFAOYSA-N 1 0 246.398 3.515 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000628379145 356708709 /nfs/dbraw/zinc/70/87/09/356708709.db2.gz RHSDPKMIZLBYEK-CYBMUJFWSA-N 1 0 247.382 3.515 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000628379146 356708601 /nfs/dbraw/zinc/70/86/01/356708601.db2.gz RHSDPKMIZLBYEK-ZDUSSCGKSA-N 1 0 247.382 3.515 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628379282 387202712 /nfs/dbraw/zinc/20/27/12/387202712.db2.gz WWWSPXPBLUKGEQ-JTQLQIEISA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628379283 387202553 /nfs/dbraw/zinc/20/25/53/387202553.db2.gz WWWSPXPBLUKGEQ-SNVBAGLBSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000628405612 357198450 /nfs/dbraw/zinc/19/84/50/357198450.db2.gz PTHXWVGLMVBUGZ-CYBMUJFWSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000628405613 357198455 /nfs/dbraw/zinc/19/84/55/357198455.db2.gz PTHXWVGLMVBUGZ-ZDUSSCGKSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000628405743 357198617 /nfs/dbraw/zinc/19/86/17/357198617.db2.gz SYJXNPDLAZVQOD-CYBMUJFWSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000628405744 357198624 /nfs/dbraw/zinc/19/86/24/357198624.db2.gz SYJXNPDLAZVQOD-ZDUSSCGKSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000628406038 357200695 /nfs/dbraw/zinc/20/06/95/357200695.db2.gz AJZZKODRXCEWQP-CYBMUJFWSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000628406039 357200706 /nfs/dbraw/zinc/20/07/06/357200706.db2.gz AJZZKODRXCEWQP-ZDUSSCGKSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628406438 357201414 /nfs/dbraw/zinc/20/14/14/357201414.db2.gz JSAOWIXEOYDJNT-CYBMUJFWSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628406439 357201659 /nfs/dbraw/zinc/20/16/59/357201659.db2.gz JSAOWIXEOYDJNT-ZDUSSCGKSA-N 1 0 240.350 3.566 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000628407010 357203223 /nfs/dbraw/zinc/20/32/23/357203223.db2.gz WVOHXNFQNFLSMH-CHWSQXEVSA-N 1 0 235.396 3.577 20 30 BHEDRO C=CC[C@H]1CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000628407011 357203065 /nfs/dbraw/zinc/20/30/65/357203065.db2.gz WVOHXNFQNFLSMH-OLZOCXBDSA-N 1 0 235.396 3.577 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000628407012 357203183 /nfs/dbraw/zinc/20/31/83/357203183.db2.gz WVOHXNFQNFLSMH-QWHCGFSZSA-N 1 0 235.396 3.577 20 30 BHEDRO C=CC[C@H]1CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000628407013 357203034 /nfs/dbraw/zinc/20/30/34/357203034.db2.gz WVOHXNFQNFLSMH-STQMWFEESA-N 1 0 235.396 3.577 20 30 BHEDRO C=C(C)c1ccc([C@H]([NH3+])CC(F)(F)F)cc1 ZINC000629730409 361669994 /nfs/dbraw/zinc/66/99/94/361669994.db2.gz XGXYOQRBQSIQHM-LLVKDONJSA-N 1 0 229.245 3.672 20 30 BHEDRO C=C(C)c1ccc([C@@H]([NH3+])CC(F)(F)F)cc1 ZINC000629730410 361669970 /nfs/dbraw/zinc/66/99/70/361669970.db2.gz XGXYOQRBQSIQHM-NSHDSACASA-N 1 0 229.245 3.672 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2cc(C)no2)CCCC1 ZINC000631169072 372215202 /nfs/dbraw/zinc/21/52/02/372215202.db2.gz BDQZZDQUSDLYTC-UHFFFAOYSA-N 1 0 248.370 3.599 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000631216845 361166818 /nfs/dbraw/zinc/16/68/18/361166818.db2.gz CCZJBFLNIQONOF-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000631216849 361166726 /nfs/dbraw/zinc/16/67/26/361166726.db2.gz CCZJBFLNIQONOF-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000631216853 361166684 /nfs/dbraw/zinc/16/66/84/361166684.db2.gz CCZJBFLNIQONOF-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000631216855 361166938 /nfs/dbraw/zinc/16/69/38/361166938.db2.gz CCZJBFLNIQONOF-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000631217889 372239774 /nfs/dbraw/zinc/23/97/74/372239774.db2.gz HFWUIFJQHGTMQO-BTTYYORXSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000631217890 372240439 /nfs/dbraw/zinc/24/04/39/372240439.db2.gz HFWUIFJQHGTMQO-WDNDVIMCSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]Cc1ccnn1C(C)C ZINC000631219041 361340664 /nfs/dbraw/zinc/34/06/64/361340664.db2.gz MGEHTIIFVXLYTJ-UHFFFAOYSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]Cc1cnn(C(C)C)c1 ZINC000631219942 361368744 /nfs/dbraw/zinc/36/87/44/361368744.db2.gz NOQZLGZNKHCRPV-UHFFFAOYSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]Cc1scnc1C ZINC000631220072 372243518 /nfs/dbraw/zinc/24/35/18/372243518.db2.gz PWCJHHHNNTWKDO-UHFFFAOYSA-N 1 0 238.400 3.534 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]Cc1cncn1C(C)C ZINC000631222470 372245194 /nfs/dbraw/zinc/24/51/94/372245194.db2.gz YFTFUOKJQXXKRF-UHFFFAOYSA-N 1 0 249.402 3.546 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000631589063 372444236 /nfs/dbraw/zinc/44/42/36/372444236.db2.gz AKIGXKSXUBJKKH-CHWSQXEVSA-N 1 0 242.366 3.653 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000631589065 372444245 /nfs/dbraw/zinc/44/42/45/372444245.db2.gz AKIGXKSXUBJKKH-OLZOCXBDSA-N 1 0 242.366 3.653 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000631589066 372443908 /nfs/dbraw/zinc/44/39/08/372443908.db2.gz AKIGXKSXUBJKKH-QWHCGFSZSA-N 1 0 242.366 3.653 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000631589068 372443726 /nfs/dbraw/zinc/44/37/26/372443726.db2.gz AKIGXKSXUBJKKH-STQMWFEESA-N 1 0 242.366 3.653 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000631596797 372448839 /nfs/dbraw/zinc/44/88/39/372448839.db2.gz NLOBBLCKVCDJNN-KBPBESRZSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000631596798 372448587 /nfs/dbraw/zinc/44/85/87/372448587.db2.gz NLOBBLCKVCDJNN-KGLIPLIRSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000631596799 372449948 /nfs/dbraw/zinc/44/99/48/372449948.db2.gz NLOBBLCKVCDJNN-UONOGXRCSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000631596800 372449808 /nfs/dbraw/zinc/44/98/08/372449808.db2.gz NLOBBLCKVCDJNN-ZIAGYGMSSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCc2ncccc21 ZINC000631606322 361756411 /nfs/dbraw/zinc/75/64/11/361756411.db2.gz ICPBDMBMVYUIJN-BBRMVZONSA-N 1 0 244.382 3.793 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2ncccc21 ZINC000631606325 361756314 /nfs/dbraw/zinc/75/63/14/361756314.db2.gz ICPBDMBMVYUIJN-CJNGLKHVSA-N 1 0 244.382 3.793 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631606328 361756124 /nfs/dbraw/zinc/75/61/24/361756124.db2.gz ICPBDMBMVYUIJN-CZUORRHYSA-N 1 0 244.382 3.793 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631606329 361756492 /nfs/dbraw/zinc/75/64/92/361756492.db2.gz ICPBDMBMVYUIJN-XJKSGUPXSA-N 1 0 244.382 3.793 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000631631713 351300899 /nfs/dbraw/zinc/30/08/99/351300899.db2.gz KUZGOZFOCAZICA-AWEZNQCLSA-N 1 0 232.371 3.787 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000631631722 351300633 /nfs/dbraw/zinc/30/06/33/351300633.db2.gz KUZGOZFOCAZICA-CQSZACIVSA-N 1 0 232.371 3.787 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631634581 372472345 /nfs/dbraw/zinc/47/23/45/372472345.db2.gz KZFCIZLRPCJKBI-HNNXBMFYSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631634582 372472148 /nfs/dbraw/zinc/47/21/48/372472148.db2.gz KZFCIZLRPCJKBI-OAHLLOKOSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CCC[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000631646161 372479169 /nfs/dbraw/zinc/47/91/69/372479169.db2.gz HCSXPBQUNXCLLM-CYBMUJFWSA-N 1 0 242.366 3.655 20 30 BHEDRO C=CCC[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000631646162 372479499 /nfs/dbraw/zinc/47/94/99/372479499.db2.gz HCSXPBQUNXCLLM-ZDUSSCGKSA-N 1 0 242.366 3.655 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H]1CCCc2ncccc21 ZINC000631652238 372481956 /nfs/dbraw/zinc/48/19/56/372481956.db2.gz PDXSVVQYNUOZKT-HNNXBMFYSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631652239 372481899 /nfs/dbraw/zinc/48/18/99/372481899.db2.gz PDXSVVQYNUOZKT-OAHLLOKOSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC(C)(C)F)c1ccco1 ZINC000631665047 372491092 /nfs/dbraw/zinc/49/10/92/372491092.db2.gz VHXZETQHEWESHV-LLVKDONJSA-N 1 0 225.307 3.625 20 30 BHEDRO C=CCC[C@H]([NH2+]CC(C)(C)F)c1ccco1 ZINC000631665048 372491045 /nfs/dbraw/zinc/49/10/45/372491045.db2.gz VHXZETQHEWESHV-NSHDSACASA-N 1 0 225.307 3.625 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cc(C)on1 ZINC000631678988 372503457 /nfs/dbraw/zinc/50/34/57/372503457.db2.gz CLMDNHUXWMQQPE-GFCCVEGCSA-N 1 0 236.359 3.626 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cc(C)on1 ZINC000631678989 372503395 /nfs/dbraw/zinc/50/33/95/372503395.db2.gz CLMDNHUXWMQQPE-LBPRGKRZSA-N 1 0 236.359 3.626 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1nccs1 ZINC000631679080 372503776 /nfs/dbraw/zinc/50/37/76/372503776.db2.gz DIWMIYWOAQAGNA-LLVKDONJSA-N 1 0 238.400 3.786 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1nccs1 ZINC000631679096 372503543 /nfs/dbraw/zinc/50/35/43/372503543.db2.gz DIWMIYWOAQAGNA-NSHDSACASA-N 1 0 238.400 3.786 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cncs1 ZINC000631679129 364463490 /nfs/dbraw/zinc/46/34/90/364463490.db2.gz DMZGTJMULWXVTJ-LLVKDONJSA-N 1 0 238.400 3.786 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cncs1 ZINC000631679145 364463732 /nfs/dbraw/zinc/46/37/32/364463732.db2.gz DMZGTJMULWXVTJ-NSHDSACASA-N 1 0 238.400 3.786 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cnn(CC)c1 ZINC000631679537 364474193 /nfs/dbraw/zinc/47/41/93/364474193.db2.gz HXUGFEORVWCMEQ-CYBMUJFWSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000631679539 364474904 /nfs/dbraw/zinc/47/49/04/364474904.db2.gz HXUGFEORVWCMEQ-ZDUSSCGKSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cccnc1 ZINC000631679813 364484858 /nfs/dbraw/zinc/48/48/58/364484858.db2.gz IYYBJWFTYYUVGM-CYBMUJFWSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cccnc1 ZINC000631679816 364484720 /nfs/dbraw/zinc/48/47/20/364484720.db2.gz IYYBJWFTYYUVGM-ZDUSSCGKSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1ccncc1 ZINC000631680708 372505434 /nfs/dbraw/zinc/50/54/34/372505434.db2.gz RMJIVLJGKXRBQN-CYBMUJFWSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1ccncc1 ZINC000631680709 372505285 /nfs/dbraw/zinc/50/52/85/372505285.db2.gz RMJIVLJGKXRBQN-ZDUSSCGKSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]C1CCC(OC)CC1 ZINC000631680937 364499093 /nfs/dbraw/zinc/49/90/93/364499093.db2.gz SCBUCFYDZGXRKQ-UHFFFAOYSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1nccn1CC ZINC000631682026 372505132 /nfs/dbraw/zinc/50/51/32/372505132.db2.gz CBSRDGBSZDRMFK-CYBMUJFWSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1nccn1CC ZINC000631682027 372505357 /nfs/dbraw/zinc/50/53/57/372505357.db2.gz CBSRDGBSZDRMFK-ZDUSSCGKSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000631682337 372505238 /nfs/dbraw/zinc/50/52/38/372505238.db2.gz GSHLVVVYOWWHPA-CYBMUJFWSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2cccnc2c1 ZINC000631682339 372505082 /nfs/dbraw/zinc/50/50/82/372505082.db2.gz GSHLVVVYOWWHPA-ZDUSSCGKSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]C1CC(CF)(CF)C1 ZINC000631684739 372507833 /nfs/dbraw/zinc/50/78/33/372507833.db2.gz UIDNPULEQXTUCE-UHFFFAOYSA-N 1 0 245.357 3.656 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631706111 372516084 /nfs/dbraw/zinc/51/60/84/372516084.db2.gz BALFACJCTNURAI-CMPLNLGQSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631706112 372516131 /nfs/dbraw/zinc/51/61/31/372516131.db2.gz BALFACJCTNURAI-JQWIXIFHSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1cnc(C)s1 ZINC000631706113 372516161 /nfs/dbraw/zinc/51/61/61/372516161.db2.gz BALFACJCTNURAI-PWSUYJOCSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cnc(C)s1 ZINC000631706114 372516029 /nfs/dbraw/zinc/51/60/29/372516029.db2.gz BALFACJCTNURAI-ZYHUDNBSSA-N 1 0 238.400 3.847 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631706578 363995038 /nfs/dbraw/zinc/99/50/38/363995038.db2.gz IJTWCLBIRZAUEO-AXFHLTTASA-N 1 0 238.400 3.703 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631706579 363994149 /nfs/dbraw/zinc/99/41/49/363994149.db2.gz IJTWCLBIRZAUEO-DCAQKATOSA-N 1 0 238.400 3.703 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000631706580 363994367 /nfs/dbraw/zinc/99/43/67/363994367.db2.gz IJTWCLBIRZAUEO-GARJFASQSA-N 1 0 238.400 3.703 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000631706581 363995150 /nfs/dbraw/zinc/99/51/50/363995150.db2.gz IJTWCLBIRZAUEO-HBNTYKKESA-N 1 0 238.400 3.703 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000631808077 372586333 /nfs/dbraw/zinc/58/63/33/372586333.db2.gz VHZXBKXOSHITCX-GFCCVEGCSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000631808078 372585850 /nfs/dbraw/zinc/58/58/50/372585850.db2.gz VHZXBKXOSHITCX-LBPRGKRZSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634686232 343233097 /nfs/dbraw/zinc/23/30/97/343233097.db2.gz GMEKPPKITRASSE-CYBMUJFWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634686233 343233162 /nfs/dbraw/zinc/23/31/62/343233162.db2.gz GMEKPPKITRASSE-ZDUSSCGKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635004558 345207673 /nfs/dbraw/zinc/20/76/73/345207673.db2.gz FLLLVQKKCSXNPW-KBPBESRZSA-N 1 0 244.382 3.530 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635004568 345207726 /nfs/dbraw/zinc/20/77/26/345207726.db2.gz FLLLVQKKCSXNPW-KGLIPLIRSA-N 1 0 244.382 3.530 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635004569 345207486 /nfs/dbraw/zinc/20/74/86/345207486.db2.gz FLLLVQKKCSXNPW-UONOGXRCSA-N 1 0 244.382 3.530 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635004570 345207924 /nfs/dbraw/zinc/20/79/24/345207924.db2.gz FLLLVQKKCSXNPW-ZIAGYGMSSA-N 1 0 244.382 3.530 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000638836848 353021725 /nfs/dbraw/zinc/02/17/25/353021725.db2.gz LFYJBFPSUVFAJF-GFCCVEGCSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000638836866 353021914 /nfs/dbraw/zinc/02/19/14/353021914.db2.gz LFYJBFPSUVFAJF-LBPRGKRZSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1nc2ccccc2o1 ZINC000639208390 354712049 /nfs/dbraw/zinc/71/20/49/354712049.db2.gz ZUJXXMGXSDKBCV-UHFFFAOYSA-N 1 0 244.338 3.520 20 30 BHEDRO C=CCC1([NH2+]Cc2ccns2)CCCCC1 ZINC000639251080 355283561 /nfs/dbraw/zinc/28/35/61/355283561.db2.gz WJKPKTNWMPTVHZ-UHFFFAOYSA-N 1 0 236.384 3.512 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)[C@@H]2CC2(F)F)CCCC1 ZINC000639252846 355289557 /nfs/dbraw/zinc/28/95/57/355289557.db2.gz PNFGGEVPTRKWMR-NEPJUHHUSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)[C@H]2CC2(F)F)CCCC1 ZINC000639252847 355289841 /nfs/dbraw/zinc/28/98/41/355289841.db2.gz PNFGGEVPTRKWMR-NWDGAFQWSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)CCCC1 ZINC000639252848 355289505 /nfs/dbraw/zinc/28/95/05/355289505.db2.gz PNFGGEVPTRKWMR-RYUDHWBXSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)[C@H]2CC2(F)F)CCCC1 ZINC000639252849 355289779 /nfs/dbraw/zinc/28/97/79/355289779.db2.gz PNFGGEVPTRKWMR-VXGBXAGGSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2ncc(C)o2)CCCC1 ZINC000639307036 355661431 /nfs/dbraw/zinc/66/14/31/355661431.db2.gz ZYFSZZBFYZAHSL-UHFFFAOYSA-N 1 0 248.370 3.599 20 30 BHEDRO C=CCCCCC[NH2+]Cc1nc2ccccc2o1 ZINC000639313635 355692161 /nfs/dbraw/zinc/69/21/61/355692161.db2.gz ZWYYZQFORVNNCJ-UHFFFAOYSA-N 1 0 244.338 3.664 20 30 BHEDRO C=CCC1([NH2+]CC2CCSCC2)CCCC1 ZINC000639321988 355722803 /nfs/dbraw/zinc/72/28/03/355722803.db2.gz QKOIAHDUQDYENZ-UHFFFAOYSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1nc2ccccc2o1 ZINC000639334484 355765096 /nfs/dbraw/zinc/76/50/96/355765096.db2.gz DTUKZFSEUNWFJG-UHFFFAOYSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CC(C)(C)CC[NH2+]Cc1nc2ccccc2o1 ZINC000639343733 355786516 /nfs/dbraw/zinc/78/65/16/355786516.db2.gz NWNPNKWWKCVOID-UHFFFAOYSA-N 1 0 244.338 3.520 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000639380767 355919756 /nfs/dbraw/zinc/91/97/56/355919756.db2.gz HMXLKOUVAZGJMY-UHFFFAOYSA-N 1 0 248.370 3.634 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(C2CC2)no1 ZINC000639381007 355920738 /nfs/dbraw/zinc/92/07/38/355920738.db2.gz JTZMZYWZHODTTE-UHFFFAOYSA-N 1 0 248.370 3.634 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639381429 355921525 /nfs/dbraw/zinc/92/15/25/355921525.db2.gz OSTGKVCBPHMRAC-GHMZBOCLSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639381431 355921381 /nfs/dbraw/zinc/92/13/81/355921381.db2.gz OSTGKVCBPHMRAC-MNOVXSKESA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639381432 355921825 /nfs/dbraw/zinc/92/18/25/355921825.db2.gz OSTGKVCBPHMRAC-QWRGUYRKSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639381434 355921889 /nfs/dbraw/zinc/92/18/89/355921889.db2.gz OSTGKVCBPHMRAC-WDEREUQCSA-N 1 0 231.330 3.612 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000641980033 362816763 /nfs/dbraw/zinc/81/67/63/362816763.db2.gz WMSPCYGKAMVJAR-HNNXBMFYSA-N 1 0 215.340 3.708 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000641980034 362816944 /nfs/dbraw/zinc/81/69/44/362816944.db2.gz WMSPCYGKAMVJAR-OAHLLOKOSA-N 1 0 215.340 3.708 20 30 BHEDRO C=CCOc1cccc(C[NH2+]CCCC(C)C)c1 ZINC000642102677 362860655 /nfs/dbraw/zinc/86/06/55/362860655.db2.gz WSXSUPVPNFFYDV-UHFFFAOYSA-N 1 0 247.382 3.777 20 30 BHEDRO C=CC[N@@H+](CCC(C)C)Cc1ccccc1 ZINC000642103444 362861232 /nfs/dbraw/zinc/86/12/32/362861232.db2.gz KJBGNVFBFKZVQX-UHFFFAOYSA-N 1 0 217.356 3.721 20 30 BHEDRO C=CC[NH+](CC=C)CC(C)(C)c1ccccc1 ZINC000642243022 362982799 /nfs/dbraw/zinc/98/27/99/362982799.db2.gz GRSQFHIHWGFWOQ-UHFFFAOYSA-N 1 0 229.367 3.638 20 30 BHEDRO C=CC[NH+](CC=C)CCC1CCCCC1 ZINC000642243059 362983671 /nfs/dbraw/zinc/98/36/71/362983671.db2.gz RUQACFPLVIXWHA-UHFFFAOYSA-N 1 0 207.361 3.631 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(C)C ZINC000642252431 362995200 /nfs/dbraw/zinc/99/52/00/362995200.db2.gz DKGMPVFIQHKMTC-CYBMUJFWSA-N 1 0 235.346 3.858 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(C)C ZINC000642252432 362995272 /nfs/dbraw/zinc/99/52/72/362995272.db2.gz DKGMPVFIQHKMTC-ZDUSSCGKSA-N 1 0 235.346 3.858 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(C)C ZINC000642252434 362995350 /nfs/dbraw/zinc/99/53/50/362995350.db2.gz GFYWJECXPNLMKU-AWEZNQCLSA-N 1 0 247.382 3.728 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(C)C ZINC000642252435 362994978 /nfs/dbraw/zinc/99/49/78/362994978.db2.gz GFYWJECXPNLMKU-CQSZACIVSA-N 1 0 247.382 3.728 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(C)C ZINC000642252437 362995424 /nfs/dbraw/zinc/99/54/24/362995424.db2.gz IWICLOBLJNTPGX-AWEZNQCLSA-N 1 0 217.356 3.719 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(C)C ZINC000642252438 362994873 /nfs/dbraw/zinc/99/48/73/362994873.db2.gz IWICLOBLJNTPGX-CQSZACIVSA-N 1 0 217.356 3.719 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(C)C ZINC000642330161 363352370 /nfs/dbraw/zinc/35/23/70/363352370.db2.gz LYGHSQSMACSLNC-HNNXBMFYSA-N 1 0 231.383 3.762 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(C)C ZINC000642330162 363352841 /nfs/dbraw/zinc/35/28/41/363352841.db2.gz LYGHSQSMACSLNC-OAHLLOKOSA-N 1 0 231.383 3.762 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)[C@H](C)C(C)C ZINC000642330191 363352810 /nfs/dbraw/zinc/35/28/10/363352810.db2.gz SJCVFYNAMGUSGJ-GFCCVEGCSA-N 1 0 223.385 3.781 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(C)C ZINC000642330194 363352836 /nfs/dbraw/zinc/35/28/36/363352836.db2.gz SJCVFYNAMGUSGJ-LBPRGKRZSA-N 1 0 223.385 3.781 20 30 BHEDRO C=CC[NH+](CC=C)CCCC1CCCC1 ZINC000642348534 363480770 /nfs/dbraw/zinc/48/07/70/363480770.db2.gz BUDLDDJKNLAERR-UHFFFAOYSA-N 1 0 207.361 3.631 20 30 BHEDRO C=CC[N@@H+](Cc1cccs1)CC1CCCC1 ZINC000642619700 388621175 /nfs/dbraw/zinc/62/11/75/388621175.db2.gz OJTFGTBZVMQTSX-UHFFFAOYSA-N 1 0 235.396 3.926 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000645112265 386729982 /nfs/dbraw/zinc/72/99/82/386729982.db2.gz DMTNVVKAWVCTDG-UHFFFAOYSA-N 1 0 246.398 3.775 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000645185116 386848131 /nfs/dbraw/zinc/84/81/31/386848131.db2.gz UMNSWMKYTHDIDB-UHFFFAOYSA-N 1 0 247.382 3.696 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000645185150 386847285 /nfs/dbraw/zinc/84/72/85/386847285.db2.gz ZEQQSVKNTOPVPQ-UHFFFAOYSA-N 1 0 242.366 3.860 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000645477661 387013507 /nfs/dbraw/zinc/01/35/07/387013507.db2.gz FJLFWHNMARHRQD-CYBMUJFWSA-N 1 0 246.398 3.951 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000645477664 387013864 /nfs/dbraw/zinc/01/38/64/387013864.db2.gz FJLFWHNMARHRQD-ZDUSSCGKSA-N 1 0 246.398 3.951 20 30 BHEDRO C=CCCC[NH2+]C1(c2ccccc2C)CC1 ZINC000645979956 388114917 /nfs/dbraw/zinc/11/49/17/388114917.db2.gz SQJWOGQQMQQLRA-UHFFFAOYSA-N 1 0 215.340 3.540 20 30 BHEDRO C=C(C)CC[NH2+]C1(c2ccccc2C)CC1 ZINC000645980932 388114610 /nfs/dbraw/zinc/11/46/10/388114610.db2.gz UEJCRLBCJIMCQZ-UHFFFAOYSA-N 1 0 215.340 3.540 20 30 BHEDRO C=CCCCC[NH2+]C1(c2ccccc2OC)CC1 ZINC000646001434 388123307 /nfs/dbraw/zinc/12/33/07/388123307.db2.gz HSINRCBMXUACPH-UHFFFAOYSA-N 1 0 245.366 3.630 20 30 BHEDRO C=CCCC[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646019441 388125159 /nfs/dbraw/zinc/12/51/59/388125159.db2.gz DIRCOKHXEOKPPU-UHFFFAOYSA-N 1 0 244.382 3.568 20 30 BHEDRO C=C(CC)C[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646020243 388125304 /nfs/dbraw/zinc/12/53/04/388125304.db2.gz RKUKIJWEPNNZAH-UHFFFAOYSA-N 1 0 244.382 3.568 20 30 BHEDRO C=C(C)CC[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646020270 388125358 /nfs/dbraw/zinc/12/53/58/388125358.db2.gz RYQCADHKVSAPMY-UHFFFAOYSA-N 1 0 244.382 3.568 20 30 BHEDRO C=C(C)C[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116871 388145889 /nfs/dbraw/zinc/14/58/89/388145889.db2.gz IBWTUFSBZCHWNM-INIZCTEOSA-N 1 0 239.362 3.956 20 30 BHEDRO C=C(C)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116872 388145900 /nfs/dbraw/zinc/14/59/00/388145900.db2.gz IBWTUFSBZCHWNM-MRXNPFEDSA-N 1 0 239.362 3.956 20 30 BHEDRO C=CC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116921 388145911 /nfs/dbraw/zinc/14/59/11/388145911.db2.gz JUKZIPYYKUFZJQ-HNNXBMFYSA-N 1 0 225.335 3.566 20 30 BHEDRO C=CC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116922 388145896 /nfs/dbraw/zinc/14/58/96/388145896.db2.gz JUKZIPYYKUFZJQ-OAHLLOKOSA-N 1 0 225.335 3.566 20 30 BHEDRO C=CCC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117764 388145484 /nfs/dbraw/zinc/14/54/84/388145484.db2.gz QRYQONPRMPCBRV-INIZCTEOSA-N 1 0 239.362 3.956 20 30 BHEDRO C=CCC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117765 388145516 /nfs/dbraw/zinc/14/55/16/388145516.db2.gz QRYQONPRMPCBRV-MRXNPFEDSA-N 1 0 239.362 3.956 20 30 BHEDRO C=C(C[NH2+][C@H]1CC=C(C)CC1)c1ccccc1 ZINC000646131119 388150652 /nfs/dbraw/zinc/15/06/52/388150652.db2.gz NQNJXRWJNCYNGQ-INIZCTEOSA-N 1 0 227.351 3.788 20 30 BHEDRO C=C(C[NH2+][C@@H]1CC=C(C)CC1)c1ccccc1 ZINC000646131121 388150644 /nfs/dbraw/zinc/15/06/44/388150644.db2.gz NQNJXRWJNCYNGQ-MRXNPFEDSA-N 1 0 227.351 3.788 20 30 BHEDRO C=CCCCC[NH2+]C1CCC(F)(F)CC1 ZINC000647203344 384919964 /nfs/dbraw/zinc/91/99/64/384919964.db2.gz YNIHQBZKFIGHSR-UHFFFAOYSA-N 1 0 217.303 3.510 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C1CCC(F)(F)CC1 ZINC000647212947 383963833 /nfs/dbraw/zinc/96/38/33/383963833.db2.gz FKYJVXXIERKUKG-UHFFFAOYSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647292703 384868258 /nfs/dbraw/zinc/86/82/58/384868258.db2.gz BYLZUCFNWLZUJJ-DZGCQCFKSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647292704 384867948 /nfs/dbraw/zinc/86/79/48/384867948.db2.gz BYLZUCFNWLZUJJ-HIFRSBDPSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647292705 384868968 /nfs/dbraw/zinc/86/89/68/384868968.db2.gz BYLZUCFNWLZUJJ-UKRRQHHQSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647292706 384868737 /nfs/dbraw/zinc/86/87/37/384868737.db2.gz BYLZUCFNWLZUJJ-ZFWWWQNUSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647295808 384919686 /nfs/dbraw/zinc/91/96/86/384919686.db2.gz VOEDCZJBNJKTQB-LLVKDONJSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647295809 384919023 /nfs/dbraw/zinc/91/90/23/384919023.db2.gz VOEDCZJBNJKTQB-NSHDSACASA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647301777 385105347 /nfs/dbraw/zinc/10/53/47/385105347.db2.gz BWSJWXANZSVLEA-HNNXBMFYSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCCC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647301778 385102958 /nfs/dbraw/zinc/10/29/58/385102958.db2.gz BWSJWXANZSVLEA-OAHLLOKOSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC[C@H](CC)[NH2+]C1CCC(F)(F)CC1 ZINC000647302681 385133303 /nfs/dbraw/zinc/13/33/03/385133303.db2.gz MDIDKKKVLOYVQV-JTQLQIEISA-N 1 0 217.303 3.509 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]C1CCC(F)(F)CC1 ZINC000647302682 385134594 /nfs/dbraw/zinc/13/45/94/385134594.db2.gz MDIDKKKVLOYVQV-SNVBAGLBSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647305943 385194102 /nfs/dbraw/zinc/19/41/02/385194102.db2.gz LEFSDIYESKNMSX-HNNXBMFYSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647305944 385193680 /nfs/dbraw/zinc/19/36/80/385193680.db2.gz LEFSDIYESKNMSX-OAHLLOKOSA-N 1 0 246.398 3.971 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647306090 385197454 /nfs/dbraw/zinc/19/74/54/385197454.db2.gz XHCDGULWHPAWSN-HNNXBMFYSA-N 1 0 232.371 3.725 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647306091 385199362 /nfs/dbraw/zinc/19/93/62/385199362.db2.gz XHCDGULWHPAWSN-OAHLLOKOSA-N 1 0 232.371 3.725 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647306336 385205481 /nfs/dbraw/zinc/20/54/81/385205481.db2.gz HTZWJCBUWQSVNS-HNNXBMFYSA-N 1 0 232.371 3.725 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647306337 385204196 /nfs/dbraw/zinc/20/41/96/385204196.db2.gz HTZWJCBUWQSVNS-OAHLLOKOSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](C)CC(F)F ZINC000647318019 384244188 /nfs/dbraw/zinc/24/41/88/384244188.db2.gz CVAOGNXLGCFNRX-GHMZBOCLSA-N 1 0 219.319 3.612 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H](C)CC(F)F ZINC000647318020 384244689 /nfs/dbraw/zinc/24/46/89/384244689.db2.gz CVAOGNXLGCFNRX-MNOVXSKESA-N 1 0 219.319 3.612 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](C)CC(F)F ZINC000647318021 384242981 /nfs/dbraw/zinc/24/29/81/384242981.db2.gz CVAOGNXLGCFNRX-QWRGUYRKSA-N 1 0 219.319 3.612 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](C)CC(F)F ZINC000647318022 384243450 /nfs/dbraw/zinc/24/34/50/384243450.db2.gz CVAOGNXLGCFNRX-WDEREUQCSA-N 1 0 219.319 3.612 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)CC(F)F)C1CC1 ZINC000647318119 398341031 /nfs/dbraw/zinc/34/10/31/398341031.db2.gz GPMYVWJAAAUORD-CMPLNLGQSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](C)CC(F)F)C1CC1 ZINC000647318120 398340997 /nfs/dbraw/zinc/34/09/97/398340997.db2.gz GPMYVWJAAAUORD-JQWIXIFHSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](C)CC(F)F)C1CC1 ZINC000647318121 398341046 /nfs/dbraw/zinc/34/10/46/398341046.db2.gz GPMYVWJAAAUORD-PWSUYJOCSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](C)CC(F)F)C1CC1 ZINC000647318122 398341036 /nfs/dbraw/zinc/34/10/36/398341036.db2.gz GPMYVWJAAAUORD-ZYHUDNBSSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647324766 398341770 /nfs/dbraw/zinc/34/17/70/398341770.db2.gz HHPNVDSCNBDNFY-FVQBIDKESA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647324767 398341749 /nfs/dbraw/zinc/34/17/49/398341749.db2.gz HHPNVDSCNBDNFY-NUEKZKHPSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1(c2ccccc2OC)CC1 ZINC000647328878 398342102 /nfs/dbraw/zinc/34/21/02/398342102.db2.gz ABAHMQWWDWGHOF-CYBMUJFWSA-N 1 0 245.366 3.629 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1(c2ccccc2OC)CC1 ZINC000647328879 398342129 /nfs/dbraw/zinc/34/21/29/398342129.db2.gz ABAHMQWWDWGHOF-ZDUSSCGKSA-N 1 0 245.366 3.629 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1CCC(F)CC1 ZINC000647349171 384616960 /nfs/dbraw/zinc/61/69/60/384616960.db2.gz BPZRGVAUXHDOEG-JXQTWKCFSA-N 1 0 227.367 3.849 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1CCC(F)CC1 ZINC000647349172 384618783 /nfs/dbraw/zinc/61/87/83/384618783.db2.gz BPZRGVAUXHDOEG-RUXDESIVSA-N 1 0 227.367 3.849 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349529 384622923 /nfs/dbraw/zinc/62/29/23/384622923.db2.gz UWWGAIMRKYCCEW-FEPKRQSRSA-N 1 0 227.367 3.705 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349530 384623584 /nfs/dbraw/zinc/62/35/84/384623584.db2.gz UWWGAIMRKYCCEW-IWMBGFJWSA-N 1 0 227.367 3.705 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349531 384623722 /nfs/dbraw/zinc/62/37/22/384623722.db2.gz UWWGAIMRKYCCEW-KBHBFKLGSA-N 1 0 227.367 3.705 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349532 384623055 /nfs/dbraw/zinc/62/30/55/384623055.db2.gz UWWGAIMRKYCCEW-MRFVTOPCSA-N 1 0 227.367 3.705 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1CCC(F)CC1)C1CC1 ZINC000647349703 384619381 /nfs/dbraw/zinc/61/93/81/384619381.db2.gz CIRJKPGYIXKLPS-PESDSKBTSA-N 1 0 239.378 3.849 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1CCC(F)CC1)C1CC1 ZINC000647349704 384620692 /nfs/dbraw/zinc/62/06/92/384620692.db2.gz CIRJKPGYIXKLPS-ZALBZXLWSA-N 1 0 239.378 3.849 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000647355773 384643199 /nfs/dbraw/zinc/64/31/99/384643199.db2.gz BVMWNWNWFUUSDS-TUVASFSCSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000647355774 384642387 /nfs/dbraw/zinc/64/23/87/384642387.db2.gz BVMWNWNWFUUSDS-XQLPTFJDSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647356895 384644650 /nfs/dbraw/zinc/64/46/50/384644650.db2.gz TVIMXQSESIITPX-XDQVBPFNSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647356896 384644775 /nfs/dbraw/zinc/64/47/75/384644775.db2.gz TVIMXQSESIITPX-YIYPIFLZSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCS[C@@H]1C ZINC000647357995 384646500 /nfs/dbraw/zinc/64/65/00/384646500.db2.gz LBXMMUJYZRFJDV-AGIUHOORSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCS[C@H]1C ZINC000647357996 384647847 /nfs/dbraw/zinc/64/78/47/384647847.db2.gz LBXMMUJYZRFJDV-AVGNSLFASA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCS[C@@H]1C ZINC000647357997 384646751 /nfs/dbraw/zinc/64/67/51/384646751.db2.gz LBXMMUJYZRFJDV-FRRDWIJNSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCS[C@H]1C ZINC000647357998 384646100 /nfs/dbraw/zinc/64/61/00/384646100.db2.gz LBXMMUJYZRFJDV-RWMBFGLXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000648436647 387854722 /nfs/dbraw/zinc/85/47/22/387854722.db2.gz LAWIVANNMGEVCP-KBPBESRZSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000648436648 387855408 /nfs/dbraw/zinc/85/54/08/387855408.db2.gz LAWIVANNMGEVCP-KGLIPLIRSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000648466283 387352156 /nfs/dbraw/zinc/35/21/56/387352156.db2.gz JHIGKXVHORWOMI-CABCVRRESA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000648466284 387352232 /nfs/dbraw/zinc/35/22/32/387352232.db2.gz JHIGKXVHORWOMI-GJZGRUSLSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000648466285 387353059 /nfs/dbraw/zinc/35/30/59/387353059.db2.gz JHIGKXVHORWOMI-HUUCEWRRSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000648466286 387352632 /nfs/dbraw/zinc/35/26/32/387352632.db2.gz JHIGKXVHORWOMI-LSDHHAIUSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000648482873 387383978 /nfs/dbraw/zinc/38/39/78/387383978.db2.gz UPBOIYPTMORQII-NEPJUHHUSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000648482874 387383666 /nfs/dbraw/zinc/38/36/66/387383666.db2.gz UPBOIYPTMORQII-NWDGAFQWSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000648482875 387383728 /nfs/dbraw/zinc/38/37/28/387383728.db2.gz UPBOIYPTMORQII-RYUDHWBXSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000648482876 387382309 /nfs/dbraw/zinc/38/23/09/387382309.db2.gz UPBOIYPTMORQII-VXGBXAGGSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C(C)(C)C(F)F ZINC000648562987 387343000 /nfs/dbraw/zinc/34/30/00/387343000.db2.gz DQHDDTTZFYIZNA-JTQLQIEISA-N 1 0 219.319 3.755 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C(C)(C)C(F)F ZINC000648562988 387341848 /nfs/dbraw/zinc/34/18/48/387341848.db2.gz DQHDDTTZFYIZNA-SNVBAGLBSA-N 1 0 219.319 3.755 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)Cc1cccs1 ZINC000648727786 388420268 /nfs/dbraw/zinc/42/02/68/388420268.db2.gz ODHDEHQXRQMNBW-GFCCVEGCSA-N 1 0 223.385 3.625 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)Cc1cccs1 ZINC000648727787 388419839 /nfs/dbraw/zinc/41/98/39/388419839.db2.gz ODHDEHQXRQMNBW-LBPRGKRZSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](CC)Cc1cccs1 ZINC000648733015 388754976 /nfs/dbraw/zinc/75/49/76/388754976.db2.gz CZINZNWTWYJLEN-GFCCVEGCSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](CC)Cc1cccs1 ZINC000648733016 388754608 /nfs/dbraw/zinc/75/46/08/388754608.db2.gz CZINZNWTWYJLEN-LBPRGKRZSA-N 1 0 237.412 3.871 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1nccc2ccccc21 ZINC000648733020 388754831 /nfs/dbraw/zinc/75/48/31/388754831.db2.gz FUNBNCZFBOGYOH-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CCC1([NH2+]Cc2ncccc2C)CCCCC1 ZINC000648777346 411229229 /nfs/dbraw/zinc/22/92/29/411229229.db2.gz BNZCWPKJTLXYOH-UHFFFAOYSA-N 1 0 244.382 3.759 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(O)cc2)CCCCC1 ZINC000648777363 411229363 /nfs/dbraw/zinc/22/93/63/411229363.db2.gz NBXVJJLTHCRKAR-UHFFFAOYSA-N 1 0 245.366 3.761 20 30 BHEDRO C=CCC1([NH2+]Cc2nccs2)CCCCC1 ZINC000648777370 411229133 /nfs/dbraw/zinc/22/91/33/411229133.db2.gz RXWULBSHJQUWPD-UHFFFAOYSA-N 1 0 236.384 3.512 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)Cc1cccs1 ZINC000648840259 388449940 /nfs/dbraw/zinc/44/99/40/388449940.db2.gz KIEQRAGEORKISN-GFCCVEGCSA-N 1 0 223.385 3.625 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)Cc1cccs1 ZINC000648840264 388450053 /nfs/dbraw/zinc/45/00/53/388450053.db2.gz KIEQRAGEORKISN-LBPRGKRZSA-N 1 0 223.385 3.625 20 30 BHEDRO C=CCCCC[N@@H+](C)Cc1ccsc1 ZINC000649231564 388463625 /nfs/dbraw/zinc/46/36/25/388463625.db2.gz AXODOYOECAUXRX-UHFFFAOYSA-N 1 0 209.358 3.536 20 30 BHEDRO C=CCCCC[N@@H+](CC)CCC(F)(F)F ZINC000649279176 388507242 /nfs/dbraw/zinc/50/72/42/388507242.db2.gz FJRPHZANPKRYNO-UHFFFAOYSA-N 1 0 223.282 3.617 20 30 BHEDRO C=CCCCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000649330163 487734347 /nfs/dbraw/zinc/73/43/47/487734347.db2.gz RGHAIKGYPKLJPQ-UHFFFAOYSA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000649343007 398160842 /nfs/dbraw/zinc/16/08/42/398160842.db2.gz HODHHCWDLKZPGB-HNNXBMFYSA-N 1 0 230.355 3.575 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000649343008 398160618 /nfs/dbraw/zinc/16/06/18/398160618.db2.gz HODHHCWDLKZPGB-OAHLLOKOSA-N 1 0 230.355 3.575 20 30 BHEDRO C=CCCCC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000649350410 398163208 /nfs/dbraw/zinc/16/32/08/398163208.db2.gz ZHTXPXKVUUWWBI-UHFFFAOYSA-N 1 0 239.403 3.622 20 30 BHEDRO C=CCCCC[NH+]1CCC(c2ccccn2)CC1 ZINC000649395764 398196974 /nfs/dbraw/zinc/19/69/74/398196974.db2.gz KOMBJFPFZAZKLB-UHFFFAOYSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000649398394 398199637 /nfs/dbraw/zinc/19/96/37/398199637.db2.gz QRRLRCAEJWKEHD-HNNXBMFYSA-N 1 0 230.355 3.575 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000649398395 398199439 /nfs/dbraw/zinc/19/94/39/398199439.db2.gz QRRLRCAEJWKEHD-OAHLLOKOSA-N 1 0 230.355 3.575 20 30 BHEDRO C=CCCCC[NH+]1CCC(c2cccnc2)CC1 ZINC000649406297 398206986 /nfs/dbraw/zinc/20/69/86/398206986.db2.gz MJTSBNIKGILWAY-UHFFFAOYSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCC[NH2+]C1(c2ccccc2C)CCC1 ZINC000649644035 398019220 /nfs/dbraw/zinc/01/92/20/398019220.db2.gz PPKCMNTVPJOZDJ-UHFFFAOYSA-N 1 0 215.340 3.540 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000649702497 398053095 /nfs/dbraw/zinc/05/30/95/398053095.db2.gz FQQPXGXICMAHAY-CABCVRRESA-N 1 0 239.403 3.621 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000649702498 398052924 /nfs/dbraw/zinc/05/29/24/398052924.db2.gz FQQPXGXICMAHAY-GJZGRUSLSA-N 1 0 239.403 3.621 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649702499 398052910 /nfs/dbraw/zinc/05/29/10/398052910.db2.gz FQQPXGXICMAHAY-HUUCEWRRSA-N 1 0 239.403 3.621 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649702500 398053049 /nfs/dbraw/zinc/05/30/49/398053049.db2.gz FQQPXGXICMAHAY-LSDHHAIUSA-N 1 0 239.403 3.621 20 30 BHEDRO C=CCCCCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649772944 398095177 /nfs/dbraw/zinc/09/51/77/398095177.db2.gz DBLFNFDOFGPPMQ-UHFFFAOYSA-N 1 0 243.341 3.854 20 30 BHEDRO C=CCCC[C@@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773936 398096989 /nfs/dbraw/zinc/09/69/89/398096989.db2.gz MDYYTRXWPBSITE-GFCCVEGCSA-N 1 0 243.341 3.852 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773937 398097501 /nfs/dbraw/zinc/09/75/01/398097501.db2.gz MDYYTRXWPBSITE-LBPRGKRZSA-N 1 0 243.341 3.852 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000649810304 398117118 /nfs/dbraw/zinc/11/71/18/398117118.db2.gz DNWXLSTWTHKDBG-GFCCVEGCSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000649810305 398117022 /nfs/dbraw/zinc/11/70/22/398117022.db2.gz DNWXLSTWTHKDBG-LBPRGKRZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCCCC[NH2+]C1(C2CCC2)CC1 ZINC000649811468 398116283 /nfs/dbraw/zinc/11/62/83/398116283.db2.gz STOIVTHPCNEJSQ-UHFFFAOYSA-N 1 0 207.361 3.655 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000649903025 398177524 /nfs/dbraw/zinc/17/75/24/398177524.db2.gz NFQZLOBPMOETJM-AWEZNQCLSA-N 1 0 232.371 3.567 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000649903030 398176799 /nfs/dbraw/zinc/17/67/99/398176799.db2.gz NFQZLOBPMOETJM-CQSZACIVSA-N 1 0 232.371 3.567 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000651420822 411002309 /nfs/dbraw/zinc/00/23/09/411002309.db2.gz UQMPSRTZPSCJTC-AWEZNQCLSA-N 1 0 237.293 3.508 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000651420823 411003868 /nfs/dbraw/zinc/00/38/68/411003868.db2.gz UQMPSRTZPSCJTC-CQSZACIVSA-N 1 0 237.293 3.508 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000651425976 411011936 /nfs/dbraw/zinc/01/19/36/411011936.db2.gz SUVCHTHYTCNVKL-GFCCVEGCSA-N 1 0 232.371 3.561 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000651425977 411011558 /nfs/dbraw/zinc/01/15/58/411011558.db2.gz SUVCHTHYTCNVKL-LBPRGKRZSA-N 1 0 232.371 3.561 20 30 BHEDRO C=CCC1(C[NH2+][C@H](C)c2c[nH]nc2C)CCCC1 ZINC000651461917 411044652 /nfs/dbraw/zinc/04/46/52/411044652.db2.gz DGUODZMBVPNCOS-GFCCVEGCSA-N 1 0 247.386 3.505 20 30 BHEDRO C=CCC1(C[NH2+][C@@H](C)c2c[nH]nc2C)CCCC1 ZINC000651461924 411045692 /nfs/dbraw/zinc/04/56/92/411045692.db2.gz DGUODZMBVPNCOS-LBPRGKRZSA-N 1 0 247.386 3.505 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000651473181 411054132 /nfs/dbraw/zinc/05/41/32/411054132.db2.gz DIDGDMAXTALULY-AWEZNQCLSA-N 1 0 237.293 3.508 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000651473182 411053780 /nfs/dbraw/zinc/05/37/80/411053780.db2.gz DIDGDMAXTALULY-CQSZACIVSA-N 1 0 237.293 3.508 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000651664492 487813655 /nfs/dbraw/zinc/81/36/55/487813655.db2.gz RUMRZLYQCLMFDP-AAEUAGOBSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000651664493 487813909 /nfs/dbraw/zinc/81/39/09/487813909.db2.gz RUMRZLYQCLMFDP-DGCLKSJQSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000651664494 487813651 /nfs/dbraw/zinc/81/36/51/487813651.db2.gz RUMRZLYQCLMFDP-WCQYABFASA-N 1 0 221.369 3.583 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000651664495 487813524 /nfs/dbraw/zinc/81/35/24/487813524.db2.gz RUMRZLYQCLMFDP-YPMHNXCESA-N 1 0 221.369 3.583 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000651665030 491073116 /nfs/dbraw/zinc/07/31/16/491073116.db2.gz KQRMAJHOOCGIDW-DZGCQCFKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000651665031 491073089 /nfs/dbraw/zinc/07/30/89/491073089.db2.gz KQRMAJHOOCGIDW-HIFRSBDPSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000651665032 491073103 /nfs/dbraw/zinc/07/31/03/491073103.db2.gz KQRMAJHOOCGIDW-UKRRQHHQSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000651665033 491073082 /nfs/dbraw/zinc/07/30/82/491073082.db2.gz KQRMAJHOOCGIDW-ZFWWWQNUSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccs2)C1 ZINC000651665629 487813200 /nfs/dbraw/zinc/81/32/00/487813200.db2.gz DLJTZEGZSAMDGB-NEPJUHHUSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000651665630 487813117 /nfs/dbraw/zinc/81/31/17/487813117.db2.gz DLJTZEGZSAMDGB-NWDGAFQWSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccs2)C1 ZINC000651665631 487812955 /nfs/dbraw/zinc/81/29/55/487812955.db2.gz DLJTZEGZSAMDGB-RYUDHWBXSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000651665721 487813192 /nfs/dbraw/zinc/81/31/92/487813192.db2.gz DLJTZEGZSAMDGB-VXGBXAGGSA-N 1 0 221.369 3.583 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000651665814 487812929 /nfs/dbraw/zinc/81/29/29/487812929.db2.gz HMPXIFRRMIGTJT-GHMZBOCLSA-N 1 0 239.746 3.767 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000651665815 487813169 /nfs/dbraw/zinc/81/31/69/487813169.db2.gz HMPXIFRRMIGTJT-MNOVXSKESA-N 1 0 239.746 3.767 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000651665816 487813181 /nfs/dbraw/zinc/81/31/81/487813181.db2.gz HMPXIFRRMIGTJT-QWRGUYRKSA-N 1 0 239.746 3.767 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000651665817 487813090 /nfs/dbraw/zinc/81/30/90/487813090.db2.gz HMPXIFRRMIGTJT-WDEREUQCSA-N 1 0 239.746 3.767 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000651666918 491073056 /nfs/dbraw/zinc/07/30/56/491073056.db2.gz RXQOYOWXZISCNK-DZGCQCFKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000651666919 491073052 /nfs/dbraw/zinc/07/30/52/491073052.db2.gz RXQOYOWXZISCNK-HIFRSBDPSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000651666920 491073053 /nfs/dbraw/zinc/07/30/53/491073053.db2.gz RXQOYOWXZISCNK-UKRRQHHQSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000651666921 491073054 /nfs/dbraw/zinc/07/30/54/491073054.db2.gz RXQOYOWXZISCNK-ZFWWWQNUSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OC)C1 ZINC000651668376 411134392 /nfs/dbraw/zinc/13/43/92/411134392.db2.gz IZAOUOCFGDYHFN-DZGCQCFKSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OC)C1 ZINC000651668377 411134333 /nfs/dbraw/zinc/13/43/33/411134333.db2.gz IZAOUOCFGDYHFN-HIFRSBDPSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OC)C1 ZINC000651668378 411134337 /nfs/dbraw/zinc/13/43/37/411134337.db2.gz IZAOUOCFGDYHFN-UKRRQHHQSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2OC)C1 ZINC000651668379 411134299 /nfs/dbraw/zinc/13/42/99/411134299.db2.gz IZAOUOCFGDYHFN-ZFWWWQNUSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000651668414 411133999 /nfs/dbraw/zinc/13/39/99/411133999.db2.gz KIPZNPXSFNTGEG-CHWSQXEVSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cccs2)C1 ZINC000651668415 411134448 /nfs/dbraw/zinc/13/44/48/411134448.db2.gz KIPZNPXSFNTGEG-OLZOCXBDSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000651668416 411134323 /nfs/dbraw/zinc/13/43/23/411134323.db2.gz KIPZNPXSFNTGEG-QWHCGFSZSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cccs2)C1 ZINC000651668417 411134406 /nfs/dbraw/zinc/13/44/06/411134406.db2.gz KIPZNPXSFNTGEG-STQMWFEESA-N 1 0 235.396 3.625 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000651672327 411134816 /nfs/dbraw/zinc/13/48/16/411134816.db2.gz XVPZIYCBBGCWPH-GXTWGEPZSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccsc2)C1 ZINC000651672328 411134875 /nfs/dbraw/zinc/13/48/75/411134875.db2.gz XVPZIYCBBGCWPH-JSGCOSHPSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccsc2)C1 ZINC000651672329 411134705 /nfs/dbraw/zinc/13/47/05/411134705.db2.gz XVPZIYCBBGCWPH-OCCSQVGLSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000651672330 411134739 /nfs/dbraw/zinc/13/47/39/411134739.db2.gz XVPZIYCBBGCWPH-TZMCWYRMSA-N 1 0 235.396 3.625 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000651690760 411136333 /nfs/dbraw/zinc/13/63/33/411136333.db2.gz UPZFLVNRNPJKDP-BXUZGUMPSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000651690761 411136378 /nfs/dbraw/zinc/13/63/78/411136378.db2.gz UPZFLVNRNPJKDP-FZMZJTMJSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000651690762 411136527 /nfs/dbraw/zinc/13/65/27/411136527.db2.gz UPZFLVNRNPJKDP-RISCZKNCSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000651690763 411136375 /nfs/dbraw/zinc/13/63/75/411136375.db2.gz UPZFLVNRNPJKDP-SMDDNHRTSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000651705803 411137316 /nfs/dbraw/zinc/13/73/16/411137316.db2.gz GTDOIBUFGHOPSA-GUTXKFCHSA-N 1 0 245.366 3.788 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000651705804 411137217 /nfs/dbraw/zinc/13/72/17/411137217.db2.gz GTDOIBUFGHOPSA-GZBFAFLISA-N 1 0 245.366 3.788 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000651705805 411137314 /nfs/dbraw/zinc/13/73/14/411137314.db2.gz GTDOIBUFGHOPSA-NFAWXSAZSA-N 1 0 245.366 3.788 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000651705806 411137159 /nfs/dbraw/zinc/13/71/59/411137159.db2.gz GTDOIBUFGHOPSA-UMVBOHGHSA-N 1 0 245.366 3.788 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c(C)noc2C)C1 ZINC000651717222 411138504 /nfs/dbraw/zinc/13/85/04/411138504.db2.gz XGSJWBZWLLMRCZ-GDLCADMTSA-N 1 0 248.370 3.687 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2c(C)noc2C)C1 ZINC000651717223 411138344 /nfs/dbraw/zinc/13/83/44/411138344.db2.gz XGSJWBZWLLMRCZ-HONMWMINSA-N 1 0 248.370 3.687 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2c(C)noc2C)C1 ZINC000651717224 411138390 /nfs/dbraw/zinc/13/83/90/411138390.db2.gz XGSJWBZWLLMRCZ-LERXQTSPSA-N 1 0 248.370 3.687 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2c(C)noc2C)C1 ZINC000651717225 411138341 /nfs/dbraw/zinc/13/83/41/411138341.db2.gz XGSJWBZWLLMRCZ-ZLKJLUDKSA-N 1 0 248.370 3.687 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC)c2ccncc2)C1 ZINC000651719976 411138586 /nfs/dbraw/zinc/13/85/86/411138586.db2.gz LNIYDLPNNNPSSU-BMFZPTHFSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CC)c2ccncc2)C1 ZINC000651719977 411138764 /nfs/dbraw/zinc/13/87/64/411138764.db2.gz LNIYDLPNNNPSSU-FVQBIDKESA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2ccncc2)C1 ZINC000651719978 411138748 /nfs/dbraw/zinc/13/87/48/411138748.db2.gz LNIYDLPNNNPSSU-KBMXLJTQSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)c2ccncc2)C1 ZINC000651719979 411138765 /nfs/dbraw/zinc/13/87/65/411138765.db2.gz LNIYDLPNNNPSSU-VNQPRFMTSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000651722366 411139070 /nfs/dbraw/zinc/13/90/70/411139070.db2.gz JPRLFCOSMXXPOX-GHMZBOCLSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000651722367 411138996 /nfs/dbraw/zinc/13/89/96/411138996.db2.gz JPRLFCOSMXXPOX-MNOVXSKESA-N 1 0 235.293 3.663 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000651722368 411138896 /nfs/dbraw/zinc/13/88/96/411138896.db2.gz JPRLFCOSMXXPOX-QWRGUYRKSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000651722369 411138889 /nfs/dbraw/zinc/13/88/89/411138889.db2.gz JPRLFCOSMXXPOX-WDEREUQCSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000651723345 487821713 /nfs/dbraw/zinc/82/17/13/487821713.db2.gz MFJWVKOUHOYYOL-BFHYXJOUSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC(C)(C)OC)C1 ZINC000651723346 487822026 /nfs/dbraw/zinc/82/20/26/487822026.db2.gz MFJWVKOUHOYYOL-MCIONIFRSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)C1 ZINC000651723347 487822257 /nfs/dbraw/zinc/82/22/57/487822257.db2.gz MFJWVKOUHOYYOL-MGPQQGTHSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000651723348 487821523 /nfs/dbraw/zinc/82/15/23/487821523.db2.gz MFJWVKOUHOYYOL-MJBXVCDLSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)c2ccncc2)C1 ZINC000651727418 411139252 /nfs/dbraw/zinc/13/92/52/411139252.db2.gz SOHWTVXNKXBOGO-FMKPAKJESA-N 1 0 244.382 3.520 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)c2ccncc2)C1 ZINC000651727419 411139246 /nfs/dbraw/zinc/13/92/46/411139246.db2.gz SOHWTVXNKXBOGO-IIAWOOMASA-N 1 0 244.382 3.520 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)c2ccncc2)C1 ZINC000651727420 411139221 /nfs/dbraw/zinc/13/92/21/411139221.db2.gz SOHWTVXNKXBOGO-LZWOXQAQSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)c2ccncc2)C1 ZINC000651727421 411139194 /nfs/dbraw/zinc/13/91/94/411139194.db2.gz SOHWTVXNKXBOGO-SQWLQELKSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000651732946 411139590 /nfs/dbraw/zinc/13/95/90/411139590.db2.gz PBSRZCHRVGFVDT-HZSPNIEDSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000651732947 411139531 /nfs/dbraw/zinc/13/95/31/411139531.db2.gz PBSRZCHRVGFVDT-MCIONIFRSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000651732948 411139673 /nfs/dbraw/zinc/13/96/73/411139673.db2.gz PBSRZCHRVGFVDT-MGPQQGTHSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000651732949 411139603 /nfs/dbraw/zinc/13/96/03/411139603.db2.gz PBSRZCHRVGFVDT-RDBSUJKOSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000651733383 411139574 /nfs/dbraw/zinc/13/95/74/411139574.db2.gz GBFODIXZNFJPAC-AGIUHOORSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000651733384 411139576 /nfs/dbraw/zinc/13/95/76/411139576.db2.gz GBFODIXZNFJPAC-FRRDWIJNSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000651733385 411139701 /nfs/dbraw/zinc/13/97/01/411139701.db2.gz GBFODIXZNFJPAC-JHJVBQTASA-N 1 0 243.341 3.899 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000651733386 411139509 /nfs/dbraw/zinc/13/95/09/411139509.db2.gz GBFODIXZNFJPAC-UPJWGTAASA-N 1 0 243.341 3.899 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651733742 411139582 /nfs/dbraw/zinc/13/95/82/411139582.db2.gz SEPNESXZCULGTQ-GZMMTYOYSA-N 1 0 239.721 3.631 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651733743 411139674 /nfs/dbraw/zinc/13/96/74/411139674.db2.gz SEPNESXZCULGTQ-KCJUWKMLSA-N 1 0 239.721 3.631 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651733744 411139634 /nfs/dbraw/zinc/13/96/34/411139634.db2.gz SEPNESXZCULGTQ-KWQFWETISA-N 1 0 239.721 3.631 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651733745 411139642 /nfs/dbraw/zinc/13/96/42/411139642.db2.gz SEPNESXZCULGTQ-LDYMZIIASA-N 1 0 239.721 3.631 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000651737742 411140427 /nfs/dbraw/zinc/14/04/27/411140427.db2.gz OZYFLKHJUJYHBE-GRYCIOLGSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000651737743 411140332 /nfs/dbraw/zinc/14/03/32/411140332.db2.gz OZYFLKHJUJYHBE-IJLUTSLNSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000651737744 411140351 /nfs/dbraw/zinc/14/03/51/411140351.db2.gz OZYFLKHJUJYHBE-UTUOFQBUSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000651737745 411140326 /nfs/dbraw/zinc/14/03/26/411140326.db2.gz OZYFLKHJUJYHBE-WOPDTQHZSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000651739766 411140178 /nfs/dbraw/zinc/14/01/78/411140178.db2.gz FUVINJOECWDQNZ-GXTWGEPZSA-N 1 0 219.372 3.511 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000651739767 411140151 /nfs/dbraw/zinc/14/01/51/411140151.db2.gz FUVINJOECWDQNZ-JSGCOSHPSA-N 1 0 219.372 3.511 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000651739768 411140031 /nfs/dbraw/zinc/14/00/31/411140031.db2.gz FUVINJOECWDQNZ-OCCSQVGLSA-N 1 0 219.372 3.511 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000651739769 411140055 /nfs/dbraw/zinc/14/00/55/411140055.db2.gz FUVINJOECWDQNZ-TZMCWYRMSA-N 1 0 219.372 3.511 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000651745507 411140779 /nfs/dbraw/zinc/14/07/79/411140779.db2.gz LSRVPZVSQTVCBJ-BZPMIXESSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000651745508 411140606 /nfs/dbraw/zinc/14/06/06/411140606.db2.gz LSRVPZVSQTVCBJ-OUCADQQQSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000651745509 411140636 /nfs/dbraw/zinc/14/06/36/411140636.db2.gz LSRVPZVSQTVCBJ-SCRDCRAPSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000651745510 411140767 /nfs/dbraw/zinc/14/07/67/411140767.db2.gz LSRVPZVSQTVCBJ-YRGRVCCFSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000651746182 411141018 /nfs/dbraw/zinc/14/10/18/411141018.db2.gz IXJNWKOAJNOTDT-AAEUAGOBSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000651746183 411141004 /nfs/dbraw/zinc/14/10/04/411141004.db2.gz IXJNWKOAJNOTDT-DGCLKSJQSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000651746184 411141060 /nfs/dbraw/zinc/14/10/60/411141060.db2.gz IXJNWKOAJNOTDT-WCQYABFASA-N 1 0 243.341 3.899 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000651746185 411140859 /nfs/dbraw/zinc/14/08/59/411140859.db2.gz IXJNWKOAJNOTDT-YPMHNXCESA-N 1 0 243.341 3.899 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651748246 411141090 /nfs/dbraw/zinc/14/10/90/411141090.db2.gz DMIGGIWTOITBSE-GFCCVEGCSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651748247 411141192 /nfs/dbraw/zinc/14/11/92/411141192.db2.gz DMIGGIWTOITBSE-LBPRGKRZSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cnccc2C)C1 ZINC000651748623 411141199 /nfs/dbraw/zinc/14/11/99/411141199.db2.gz RRSAQDWJRMALSJ-KFWWJZLASA-N 1 0 244.382 3.785 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cnccc2C)C1 ZINC000651748624 411141132 /nfs/dbraw/zinc/14/11/32/411141132.db2.gz RRSAQDWJRMALSJ-RBSFLKMASA-N 1 0 244.382 3.785 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cnccc2C)C1 ZINC000651748625 411141230 /nfs/dbraw/zinc/14/12/30/411141230.db2.gz RRSAQDWJRMALSJ-RRFJBIMHSA-N 1 0 244.382 3.785 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cnccc2C)C1 ZINC000651748626 411141305 /nfs/dbraw/zinc/14/13/05/411141305.db2.gz RRSAQDWJRMALSJ-ZNMIVQPWSA-N 1 0 244.382 3.785 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000651758798 411141932 /nfs/dbraw/zinc/14/19/32/411141932.db2.gz OFBWSRJEDCRFJQ-YWPYICTPSA-N 1 0 248.345 3.616 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000651758799 411141918 /nfs/dbraw/zinc/14/19/18/411141918.db2.gz OFBWSRJEDCRFJQ-ZOWXZIJZSA-N 1 0 248.345 3.616 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000651759286 411141910 /nfs/dbraw/zinc/14/19/10/411141910.db2.gz IRNCOKAXDLOYTQ-CABCVRRESA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000651759287 411142054 /nfs/dbraw/zinc/14/20/54/411142054.db2.gz IRNCOKAXDLOYTQ-GJZGRUSLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCOC(C)C)C1 ZINC000651759288 411141967 /nfs/dbraw/zinc/14/19/67/411141967.db2.gz IRNCOKAXDLOYTQ-HUUCEWRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCCOC(C)C)C1 ZINC000651759289 411142026 /nfs/dbraw/zinc/14/20/26/411142026.db2.gz IRNCOKAXDLOYTQ-LSDHHAIUSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(F)(F)F)C1 ZINC000651763743 411142346 /nfs/dbraw/zinc/14/23/46/411142346.db2.gz LCBDAISPWSKXDN-AXFHLTTASA-N 1 0 235.293 3.662 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CC(F)(F)F)C1 ZINC000651763744 411142308 /nfs/dbraw/zinc/14/23/08/411142308.db2.gz LCBDAISPWSKXDN-GMTAPVOTSA-N 1 0 235.293 3.662 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC(F)(F)F)C1 ZINC000651763745 411142289 /nfs/dbraw/zinc/14/22/89/411142289.db2.gz LCBDAISPWSKXDN-HBNTYKKESA-N 1 0 235.293 3.662 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC(F)(F)F)C1 ZINC000651763746 411142194 /nfs/dbraw/zinc/14/21/94/411142194.db2.gz LCBDAISPWSKXDN-MXWKQRLJSA-N 1 0 235.293 3.662 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000651786024 411143718 /nfs/dbraw/zinc/14/37/18/411143718.db2.gz GTDOIBUFGHOPSA-IPYPFGDCSA-N 1 0 245.366 3.788 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000651786025 411143839 /nfs/dbraw/zinc/14/38/39/411143839.db2.gz GTDOIBUFGHOPSA-VNHYZAJKSA-N 1 0 245.366 3.788 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000651786651 411143769 /nfs/dbraw/zinc/14/37/69/411143769.db2.gz GTDOIBUFGHOPSA-KCQAQPDRSA-N 1 0 245.366 3.788 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000651786652 411143796 /nfs/dbraw/zinc/14/37/96/411143796.db2.gz GTDOIBUFGHOPSA-YDHLFZDLSA-N 1 0 245.366 3.788 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000651791512 411143985 /nfs/dbraw/zinc/14/39/85/411143985.db2.gz FZHKERUCZDWJSK-AGIUHOORSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000651791513 411143934 /nfs/dbraw/zinc/14/39/34/411143934.db2.gz FZHKERUCZDWJSK-FRRDWIJNSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000651791514 411143978 /nfs/dbraw/zinc/14/39/78/411143978.db2.gz FZHKERUCZDWJSK-JHJVBQTASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000651791515 411144012 /nfs/dbraw/zinc/14/40/12/411144012.db2.gz FZHKERUCZDWJSK-UPJWGTAASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000651793394 411144272 /nfs/dbraw/zinc/14/42/72/411144272.db2.gz MLYUOPYSHWEARL-HZSPNIEDSA-N 1 0 207.361 3.676 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC000651793395 411144266 /nfs/dbraw/zinc/14/42/66/411144266.db2.gz MLYUOPYSHWEARL-MCIONIFRSA-N 1 0 207.361 3.676 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000651793396 411144403 /nfs/dbraw/zinc/14/44/03/411144403.db2.gz MLYUOPYSHWEARL-MGPQQGTHSA-N 1 0 207.361 3.676 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC000651793397 411144253 /nfs/dbraw/zinc/14/42/53/411144253.db2.gz MLYUOPYSHWEARL-RDBSUJKOSA-N 1 0 207.361 3.676 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C(F)(F)F)C1 ZINC000651795386 411144282 /nfs/dbraw/zinc/14/42/82/411144282.db2.gz XZWXRMJKMHETDB-GHMZBOCLSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C(F)(F)F)C1 ZINC000651795387 411144363 /nfs/dbraw/zinc/14/43/63/411144363.db2.gz XZWXRMJKMHETDB-MNOVXSKESA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)C(F)(F)F)C1 ZINC000651795388 411144257 /nfs/dbraw/zinc/14/42/57/411144257.db2.gz XZWXRMJKMHETDB-QWRGUYRKSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)C(F)(F)F)C1 ZINC000651795389 411144215 /nfs/dbraw/zinc/14/42/15/411144215.db2.gz XZWXRMJKMHETDB-WDEREUQCSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000651806179 490142063 /nfs/dbraw/zinc/14/20/63/490142063.db2.gz WDIJRZQNSXWTKP-GHMZBOCLSA-N 1 0 247.304 3.663 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000651806180 490142147 /nfs/dbraw/zinc/14/21/47/490142147.db2.gz WDIJRZQNSXWTKP-MNOVXSKESA-N 1 0 247.304 3.663 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000651806181 490142133 /nfs/dbraw/zinc/14/21/33/490142133.db2.gz WDIJRZQNSXWTKP-QWRGUYRKSA-N 1 0 247.304 3.663 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000651806182 490142159 /nfs/dbraw/zinc/14/21/59/490142159.db2.gz WDIJRZQNSXWTKP-WDEREUQCSA-N 1 0 247.304 3.663 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000651811951 411144934 /nfs/dbraw/zinc/14/49/34/411144934.db2.gz DJDZVCFJIVAIBS-CHWSQXEVSA-N 1 0 225.351 3.603 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000651811952 411144995 /nfs/dbraw/zinc/14/49/95/411144995.db2.gz DJDZVCFJIVAIBS-OLZOCXBDSA-N 1 0 225.351 3.603 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000651811953 411144945 /nfs/dbraw/zinc/14/49/45/411144945.db2.gz DJDZVCFJIVAIBS-QWHCGFSZSA-N 1 0 225.351 3.603 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000651811954 411144996 /nfs/dbraw/zinc/14/49/96/411144996.db2.gz DJDZVCFJIVAIBS-STQMWFEESA-N 1 0 225.351 3.603 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000651812077 411144878 /nfs/dbraw/zinc/14/48/78/411144878.db2.gz JEGPHHZJUOBQSI-GRYCIOLGSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000651812078 411144942 /nfs/dbraw/zinc/14/49/42/411144942.db2.gz JEGPHHZJUOBQSI-IJLUTSLNSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000651812079 411144777 /nfs/dbraw/zinc/14/47/77/411144777.db2.gz JEGPHHZJUOBQSI-UTUOFQBUSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000651812080 411144853 /nfs/dbraw/zinc/14/48/53/411144853.db2.gz JEGPHHZJUOBQSI-WOPDTQHZSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000651812281 411144792 /nfs/dbraw/zinc/14/47/92/411144792.db2.gz SPZOOHCBDODDLE-QTAHKJALSA-N 1 0 247.304 3.662 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000651812282 411144998 /nfs/dbraw/zinc/14/49/98/411144998.db2.gz SPZOOHCBDODDLE-UZEXVOJHSA-N 1 0 247.304 3.662 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000651812283 411144846 /nfs/dbraw/zinc/14/48/46/411144846.db2.gz SPZOOHCBDODDLE-VOBJUBJWSA-N 1 0 247.304 3.662 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000651812284 411144880 /nfs/dbraw/zinc/14/48/80/411144880.db2.gz SPZOOHCBDODDLE-ZYGVAYEYSA-N 1 0 247.304 3.662 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cc2cnccc2o1 ZINC000651816965 411145302 /nfs/dbraw/zinc/14/53/02/411145302.db2.gz RKGMJBITKUPMNW-UHFFFAOYSA-N 1 0 244.338 3.520 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000651818167 411145320 /nfs/dbraw/zinc/14/53/20/411145320.db2.gz MGYLUDDERQLJBU-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000651818168 411145421 /nfs/dbraw/zinc/14/54/21/411145421.db2.gz MGYLUDDERQLJBU-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000651818169 411145393 /nfs/dbraw/zinc/14/53/93/411145393.db2.gz MGYLUDDERQLJBU-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000651818170 411145397 /nfs/dbraw/zinc/14/53/97/411145397.db2.gz MGYLUDDERQLJBU-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C=C)C1 ZINC000651822047 411146214 /nfs/dbraw/zinc/14/62/14/411146214.db2.gz IMDJIUZLRNLYDW-CHWSQXEVSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C=C)C1 ZINC000651822048 411146188 /nfs/dbraw/zinc/14/61/88/411146188.db2.gz IMDJIUZLRNLYDW-OLZOCXBDSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)C=C)C1 ZINC000651822049 411146202 /nfs/dbraw/zinc/14/62/02/411146202.db2.gz IMDJIUZLRNLYDW-QWHCGFSZSA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)C=C)C1 ZINC000651822050 411146118 /nfs/dbraw/zinc/14/61/18/411146118.db2.gz IMDJIUZLRNLYDW-STQMWFEESA-N 1 0 207.361 3.533 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000651822053 411146049 /nfs/dbraw/zinc/14/60/49/411146049.db2.gz ITRLQNSCMNBWLB-AGIUHOORSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000651822054 411146059 /nfs/dbraw/zinc/14/60/59/411146059.db2.gz ITRLQNSCMNBWLB-FRRDWIJNSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000651822055 411146088 /nfs/dbraw/zinc/14/60/88/411146088.db2.gz ITRLQNSCMNBWLB-JHJVBQTASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000651822056 411146127 /nfs/dbraw/zinc/14/61/27/411146127.db2.gz ITRLQNSCMNBWLB-UPJWGTAASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000651825176 490146936 /nfs/dbraw/zinc/14/69/36/490146936.db2.gz IBIPBOBNYCRYPT-GDBMZVCRSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000651825177 490146859 /nfs/dbraw/zinc/14/68/59/490146859.db2.gz IBIPBOBNYCRYPT-GOEBONIOSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000651825178 490146788 /nfs/dbraw/zinc/14/67/88/490146788.db2.gz IBIPBOBNYCRYPT-HOCLYGCPSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000651825179 490146925 /nfs/dbraw/zinc/14/69/25/490146925.db2.gz IBIPBOBNYCRYPT-ZBFHGGJFSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000651827794 411146524 /nfs/dbraw/zinc/14/65/24/411146524.db2.gz NOPBLOKUWHHKNB-AAEUAGOBSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000651827795 411146558 /nfs/dbraw/zinc/14/65/58/411146558.db2.gz NOPBLOKUWHHKNB-DGCLKSJQSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000651827796 411146656 /nfs/dbraw/zinc/14/66/56/411146656.db2.gz NOPBLOKUWHHKNB-WCQYABFASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000651827797 411146611 /nfs/dbraw/zinc/14/66/11/411146611.db2.gz NOPBLOKUWHHKNB-YPMHNXCESA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000651828507 411146620 /nfs/dbraw/zinc/14/66/20/411146620.db2.gz NOQXOESQISXUBZ-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000651828508 411146438 /nfs/dbraw/zinc/14/64/38/411146438.db2.gz NOQXOESQISXUBZ-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000651828509 411146686 /nfs/dbraw/zinc/14/66/86/411146686.db2.gz NOQXOESQISXUBZ-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000651828510 411146576 /nfs/dbraw/zinc/14/65/76/411146576.db2.gz NOQXOESQISXUBZ-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000651829094 411146888 /nfs/dbraw/zinc/14/68/88/411146888.db2.gz OFBWSRJEDCRFJQ-HUBLWGQQSA-N 1 0 248.345 3.616 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000651829095 411146786 /nfs/dbraw/zinc/14/67/86/411146786.db2.gz OFBWSRJEDCRFJQ-SLEUVZQESA-N 1 0 248.345 3.616 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)n2)C1 ZINC000651829127 411146762 /nfs/dbraw/zinc/14/67/62/411146762.db2.gz PODGQYLXEBCGQK-CABCVRRESA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)n2)C1 ZINC000651829128 411146862 /nfs/dbraw/zinc/14/68/62/411146862.db2.gz PODGQYLXEBCGQK-GJZGRUSLSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)n2)C1 ZINC000651829129 411146929 /nfs/dbraw/zinc/14/69/29/411146929.db2.gz PODGQYLXEBCGQK-HUUCEWRRSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)n2)C1 ZINC000651829130 411146923 /nfs/dbraw/zinc/14/69/23/411146923.db2.gz PODGQYLXEBCGQK-LSDHHAIUSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000651829407 411146796 /nfs/dbraw/zinc/14/67/96/411146796.db2.gz AYJFQXNHGDTAKD-ARILJUKYSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000651829417 411146893 /nfs/dbraw/zinc/14/68/93/411146893.db2.gz AYJFQXNHGDTAKD-MRLBHPIUSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000651829418 411146798 /nfs/dbraw/zinc/14/67/98/411146798.db2.gz AYJFQXNHGDTAKD-NIFZNCRKSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000651829419 411146707 /nfs/dbraw/zinc/14/67/07/411146707.db2.gz AYJFQXNHGDTAKD-ZSAUSMIDSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000651831296 411146789 /nfs/dbraw/zinc/14/67/89/411146789.db2.gz KYURBXITSLFDIU-AAVRWANBSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000651831297 411146730 /nfs/dbraw/zinc/14/67/30/411146730.db2.gz KYURBXITSLFDIU-IGQOVBAYSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000651831298 411146817 /nfs/dbraw/zinc/14/68/17/411146817.db2.gz KYURBXITSLFDIU-REWJHTLYSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000651831299 411146814 /nfs/dbraw/zinc/14/68/14/411146814.db2.gz KYURBXITSLFDIU-XJFOESAGSA-N 1 0 225.351 3.602 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CC(F)(F)F)C1 ZINC000651831475 411146801 /nfs/dbraw/zinc/14/68/01/411146801.db2.gz VNKIKKNQMFIPJV-IJLUTSLNSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1 ZINC000651831476 411146878 /nfs/dbraw/zinc/14/68/78/411146878.db2.gz VNKIKKNQMFIPJV-QJPTWQEYSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1 ZINC000651831477 411146897 /nfs/dbraw/zinc/14/68/97/411146897.db2.gz VNKIKKNQMFIPJV-TUAOUCFPSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)C1 ZINC000651831478 411146834 /nfs/dbraw/zinc/14/68/34/411146834.db2.gz VNKIKKNQMFIPJV-UTUOFQBUSA-N 1 0 249.320 3.909 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000651833045 411147172 /nfs/dbraw/zinc/14/71/72/411147172.db2.gz NYPLXWVRRJJNQQ-GDBMZVCRSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000651833046 411147163 /nfs/dbraw/zinc/14/71/63/411147163.db2.gz NYPLXWVRRJJNQQ-GOEBONIOSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000651833047 411147156 /nfs/dbraw/zinc/14/71/56/411147156.db2.gz NYPLXWVRRJJNQQ-HOCLYGCPSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000651833048 411146984 /nfs/dbraw/zinc/14/69/84/411146984.db2.gz NYPLXWVRRJJNQQ-ZBFHGGJFSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CC(F)F)C1 ZINC000651843140 411147223 /nfs/dbraw/zinc/14/72/23/411147223.db2.gz WDUKDMVEYOOJSR-IJLUTSLNSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CC(F)F)C1 ZINC000651843141 411147216 /nfs/dbraw/zinc/14/72/16/411147216.db2.gz WDUKDMVEYOOJSR-QJPTWQEYSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CC(F)F)C1 ZINC000651843142 411147235 /nfs/dbraw/zinc/14/72/35/411147235.db2.gz WDUKDMVEYOOJSR-TUAOUCFPSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CC(F)F)C1 ZINC000651843143 411147237 /nfs/dbraw/zinc/14/72/37/411147237.db2.gz WDUKDMVEYOOJSR-UTUOFQBUSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000651846492 411147287 /nfs/dbraw/zinc/14/72/87/411147287.db2.gz UAMFGLNYIRIIJL-ARILJUKYSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000651846493 411147322 /nfs/dbraw/zinc/14/73/22/411147322.db2.gz UAMFGLNYIRIIJL-CAEXGNQWSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000652042202 411092117 /nfs/dbraw/zinc/09/21/17/411092117.db2.gz NTYUFHRUQCMTJB-CHWSQXEVSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000652042203 411092777 /nfs/dbraw/zinc/09/27/77/411092777.db2.gz NTYUFHRUQCMTJB-OLZOCXBDSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000652042204 411092526 /nfs/dbraw/zinc/09/25/26/411092526.db2.gz NTYUFHRUQCMTJB-QWHCGFSZSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000652042205 411092672 /nfs/dbraw/zinc/09/26/72/411092672.db2.gz NTYUFHRUQCMTJB-STQMWFEESA-N 1 0 219.372 3.654 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C1CC2(CCC2)C1 ZINC000652051485 411097788 /nfs/dbraw/zinc/09/77/88/411097788.db2.gz HCVJNWAMSYXHEG-GFCCVEGCSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C1CC2(CCC2)C1 ZINC000652051486 411096962 /nfs/dbraw/zinc/09/69/62/411096962.db2.gz HCVJNWAMSYXHEG-LBPRGKRZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000652051498 411096847 /nfs/dbraw/zinc/09/68/47/411096847.db2.gz HMIDTHLMAIREBN-NEPJUHHUSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000652051499 411097049 /nfs/dbraw/zinc/09/70/49/411097049.db2.gz HMIDTHLMAIREBN-NWDGAFQWSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000652051500 411097206 /nfs/dbraw/zinc/09/72/06/411097206.db2.gz HMIDTHLMAIREBN-RYUDHWBXSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000652051501 411097402 /nfs/dbraw/zinc/09/74/02/411097402.db2.gz HMIDTHLMAIREBN-VXGBXAGGSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000652202133 411171371 /nfs/dbraw/zinc/17/13/71/411171371.db2.gz AVNPKYXALPFBAT-CHWSQXEVSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000652202134 411171302 /nfs/dbraw/zinc/17/13/02/411171302.db2.gz AVNPKYXALPFBAT-OLZOCXBDSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000652202135 411170842 /nfs/dbraw/zinc/17/08/42/411170842.db2.gz AVNPKYXALPFBAT-QWHCGFSZSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000652202136 411170945 /nfs/dbraw/zinc/17/09/45/411170945.db2.gz AVNPKYXALPFBAT-STQMWFEESA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C1(C2CCC2)CC1 ZINC000652272250 411184832 /nfs/dbraw/zinc/18/48/32/411184832.db2.gz FVMRHNVCUDBZGK-CYBMUJFWSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C1(C2CCC2)CC1 ZINC000652272251 411184884 /nfs/dbraw/zinc/18/48/84/411184884.db2.gz FVMRHNVCUDBZGK-ZDUSSCGKSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000652272511 411185798 /nfs/dbraw/zinc/18/57/98/411185798.db2.gz OHHGEQOWNAIZEO-NEPJUHHUSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000652272512 411185777 /nfs/dbraw/zinc/18/57/77/411185777.db2.gz OHHGEQOWNAIZEO-NWDGAFQWSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000652272513 411185779 /nfs/dbraw/zinc/18/57/79/411185779.db2.gz OHHGEQOWNAIZEO-RYUDHWBXSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000652272514 411185257 /nfs/dbraw/zinc/18/52/57/411185257.db2.gz OHHGEQOWNAIZEO-VXGBXAGGSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2(C3CCC3)CC2)C1 ZINC000652273557 411185869 /nfs/dbraw/zinc/18/58/69/411185869.db2.gz RAFXRUHJMOWHGW-GXTWGEPZSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2(C3CCC3)CC2)C1 ZINC000652273558 411185379 /nfs/dbraw/zinc/18/53/79/411185379.db2.gz RAFXRUHJMOWHGW-JSGCOSHPSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2(C3CCC3)CC2)C1 ZINC000652273559 411185604 /nfs/dbraw/zinc/18/56/04/411185604.db2.gz RAFXRUHJMOWHGW-OCCSQVGLSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2(C3CCC3)CC2)C1 ZINC000652273560 411185317 /nfs/dbraw/zinc/18/53/17/411185317.db2.gz RAFXRUHJMOWHGW-TZMCWYRMSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CCC[C@H]([NH2+]C1CC2(CCC2)C1)C1CC1 ZINC000652327601 411202620 /nfs/dbraw/zinc/20/26/20/411202620.db2.gz CCQSGDGRKZMGBC-AWEZNQCLSA-N 1 0 219.372 3.654 20 30 BHEDRO C=CCC[C@@H]([NH2+]C1CC2(CCC2)C1)C1CC1 ZINC000652327602 411202594 /nfs/dbraw/zinc/20/25/94/411202594.db2.gz CCQSGDGRKZMGBC-CQSZACIVSA-N 1 0 219.372 3.654 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000653872145 411202840 /nfs/dbraw/zinc/20/28/40/411202840.db2.gz PYJZXKRHASWVHJ-NEPJUHHUSA-N 1 0 243.341 3.592 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000653872146 411202950 /nfs/dbraw/zinc/20/29/50/411202950.db2.gz PYJZXKRHASWVHJ-NWDGAFQWSA-N 1 0 243.341 3.592 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000653872147 411202917 /nfs/dbraw/zinc/20/29/17/411202917.db2.gz PYJZXKRHASWVHJ-RYUDHWBXSA-N 1 0 243.341 3.592 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000653872148 411202919 /nfs/dbraw/zinc/20/29/19/411202919.db2.gz PYJZXKRHASWVHJ-VXGBXAGGSA-N 1 0 243.341 3.592 20 30 BHEDRO C=C(C[NH2+][C@@H]1CC[C@H](C)SC1)c1ccccc1 ZINC000655702464 487544387 /nfs/dbraw/zinc/54/43/87/487544387.db2.gz XZLHUCUBFNICEE-DZGCQCFKSA-N 1 0 247.407 3.574 20 30 BHEDRO C=C(C[NH2+][C@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655702465 487544657 /nfs/dbraw/zinc/54/46/57/487544657.db2.gz XZLHUCUBFNICEE-HIFRSBDPSA-N 1 0 247.407 3.574 20 30 BHEDRO C=C(C[NH2+][C@@H]1CC[C@@H](C)SC1)c1ccccc1 ZINC000655702466 487544211 /nfs/dbraw/zinc/54/42/11/487544211.db2.gz XZLHUCUBFNICEE-UKRRQHHQSA-N 1 0 247.407 3.574 20 30 BHEDRO C=C(C[NH2+][C@H]1CC[C@H](C)SC1)c1ccccc1 ZINC000655702467 487544761 /nfs/dbraw/zinc/54/47/61/487544761.db2.gz XZLHUCUBFNICEE-ZFWWWQNUSA-N 1 0 247.407 3.574 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655739008 411444950 /nfs/dbraw/zinc/44/49/50/411444950.db2.gz UASIHBKWYQGATI-AVGNSLFASA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655739009 411444142 /nfs/dbraw/zinc/44/41/42/411444142.db2.gz UASIHBKWYQGATI-RWMBFGLXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655739010 411444876 /nfs/dbraw/zinc/44/48/76/411444876.db2.gz UASIHBKWYQGATI-XQQFMLRXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655739011 411444533 /nfs/dbraw/zinc/44/45/33/411444533.db2.gz UASIHBKWYQGATI-YNEHKIRRSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000655807036 411520261 /nfs/dbraw/zinc/52/02/61/411520261.db2.gz HMLAMJIOFAQSIT-LLVKDONJSA-N 1 0 238.400 3.849 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000655807039 411520421 /nfs/dbraw/zinc/52/04/21/411520421.db2.gz HMLAMJIOFAQSIT-NSHDSACASA-N 1 0 238.400 3.849 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000655807338 411521427 /nfs/dbraw/zinc/52/14/27/411521427.db2.gz KOVOUHSVPFNZDP-AWEZNQCLSA-N 1 0 232.371 3.787 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000655807340 411521911 /nfs/dbraw/zinc/52/19/11/411521911.db2.gz KOVOUHSVPFNZDP-CQSZACIVSA-N 1 0 232.371 3.787 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000655807565 411521420 /nfs/dbraw/zinc/52/14/20/411521420.db2.gz PSTGUISFGWZHIY-HNNXBMFYSA-N 1 0 244.382 3.795 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000655807566 411521688 /nfs/dbraw/zinc/52/16/88/411521688.db2.gz PSTGUISFGWZHIY-OAHLLOKOSA-N 1 0 244.382 3.795 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000655807613 411521500 /nfs/dbraw/zinc/52/15/00/411521500.db2.gz QPUUZOCYBDHNFI-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)CC1CCOCC1 ZINC000655807614 411521534 /nfs/dbraw/zinc/52/15/34/411521534.db2.gz QPUUZOCYBDHNFI-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCc1ncc(C)cc1C ZINC000655808858 411522141 /nfs/dbraw/zinc/52/21/41/411522141.db2.gz KHVNCSMRMVTYAV-HNNXBMFYSA-N 1 0 246.398 3.575 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCc1ncc(C)cc1C ZINC000655808859 411522656 /nfs/dbraw/zinc/52/26/56/411522656.db2.gz KHVNCSMRMVTYAV-OAHLLOKOSA-N 1 0 246.398 3.575 20 30 BHEDRO C=CCCCCC[NH2+]Cc1ccc(COC)cc1 ZINC000655826073 411526015 /nfs/dbraw/zinc/52/60/15/411526015.db2.gz PKRNDQZOQKEXKQ-UHFFFAOYSA-N 1 0 247.382 3.669 20 30 BHEDRO C=CCCCCC[NH2+]Cc1cc2cnccc2o1 ZINC000655826425 411529988 /nfs/dbraw/zinc/52/99/88/411529988.db2.gz VQTCXXYRQMXSET-UHFFFAOYSA-N 1 0 244.338 3.664 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655835472 411531302 /nfs/dbraw/zinc/53/13/02/411531302.db2.gz YPEZJCWWXADKQR-CABCVRRESA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655835473 411531328 /nfs/dbraw/zinc/53/13/28/411531328.db2.gz YPEZJCWWXADKQR-GJZGRUSLSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655835474 411531352 /nfs/dbraw/zinc/53/13/52/411531352.db2.gz YPEZJCWWXADKQR-HUUCEWRRSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655835475 411531538 /nfs/dbraw/zinc/53/15/38/411531538.db2.gz YPEZJCWWXADKQR-LSDHHAIUSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655837283 411532837 /nfs/dbraw/zinc/53/28/37/411532837.db2.gz RVLPNECLKFHECJ-CABCVRRESA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655837284 411533073 /nfs/dbraw/zinc/53/30/73/411533073.db2.gz RVLPNECLKFHECJ-GJZGRUSLSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655837285 411532990 /nfs/dbraw/zinc/53/29/90/411532990.db2.gz RVLPNECLKFHECJ-HUUCEWRRSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655837286 411532748 /nfs/dbraw/zinc/53/27/48/411532748.db2.gz RVLPNECLKFHECJ-LSDHHAIUSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000655850127 411537104 /nfs/dbraw/zinc/53/71/04/411537104.db2.gz SNXVLMMOCIQKEA-AJNGGQMLSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000655850128 411536898 /nfs/dbraw/zinc/53/68/98/411536898.db2.gz SNXVLMMOCIQKEA-BYNSBNAKSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000655850129 411537165 /nfs/dbraw/zinc/53/71/65/411537165.db2.gz SNXVLMMOCIQKEA-XQLPTFJDSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000655850130 411536581 /nfs/dbraw/zinc/53/65/81/411536581.db2.gz SNXVLMMOCIQKEA-ZQDZILKHSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000655850159 411536505 /nfs/dbraw/zinc/53/65/05/411536505.db2.gz TTZGSJFZXVZKHH-KKUMJFAQSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000655850160 411536848 /nfs/dbraw/zinc/53/68/48/411536848.db2.gz TTZGSJFZXVZKHH-RRFJBIMHSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000655850161 411537217 /nfs/dbraw/zinc/53/72/17/411537217.db2.gz TTZGSJFZXVZKHH-SOUVJXGZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000655850162 411537043 /nfs/dbraw/zinc/53/70/43/411537043.db2.gz TTZGSJFZXVZKHH-ZNMIVQPWSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000656268275 411222400 /nfs/dbraw/zinc/22/24/00/411222400.db2.gz ADGYQKFWCZSFEI-AWEZNQCLSA-N 1 0 247.382 3.659 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000656268276 411222318 /nfs/dbraw/zinc/22/23/18/411222318.db2.gz ADGYQKFWCZSFEI-CQSZACIVSA-N 1 0 247.382 3.659 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000656678584 411323325 /nfs/dbraw/zinc/32/33/25/411323325.db2.gz AFTJEOCZJWFVCO-JTQLQIEISA-N 1 0 239.746 3.575 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000656678585 411323315 /nfs/dbraw/zinc/32/33/15/411323315.db2.gz AFTJEOCZJWFVCO-SNVBAGLBSA-N 1 0 239.746 3.575 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657363586 411481363 /nfs/dbraw/zinc/48/13/63/411481363.db2.gz MVHBBGLUALVGAA-GFCCVEGCSA-N 1 0 228.339 3.531 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657363587 411481657 /nfs/dbraw/zinc/48/16/57/411481657.db2.gz MVHBBGLUALVGAA-LBPRGKRZSA-N 1 0 228.339 3.531 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657364327 411481343 /nfs/dbraw/zinc/48/13/43/411481343.db2.gz XFOFMHAASBCNQK-GFCCVEGCSA-N 1 0 228.339 3.531 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657364328 411481042 /nfs/dbraw/zinc/48/10/42/411481042.db2.gz XFOFMHAASBCNQK-LBPRGKRZSA-N 1 0 228.339 3.531 20 30 BHEDRO C=CCCCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657437896 411509802 /nfs/dbraw/zinc/50/98/02/411509802.db2.gz GGYIMHHJUJQCBP-UHFFFAOYSA-N 1 0 243.272 3.550 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc2ccncc2s1 ZINC000657438110 411510360 /nfs/dbraw/zinc/51/03/60/411510360.db2.gz IQORTLSLHCOCIW-UHFFFAOYSA-N 1 0 246.379 3.742 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2ccncc2s1 ZINC000657454575 411514445 /nfs/dbraw/zinc/51/44/45/411514445.db2.gz AJLOQZARFVHKDC-GFCCVEGCSA-N 1 0 246.379 3.741 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc2ccncc2s1 ZINC000657454576 411515132 /nfs/dbraw/zinc/51/51/32/411515132.db2.gz AJLOQZARFVHKDC-LBPRGKRZSA-N 1 0 246.379 3.741 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657454631 411514693 /nfs/dbraw/zinc/51/46/93/411514693.db2.gz CDZJTKOZTONQJI-CYBMUJFWSA-N 1 0 242.366 3.921 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657454632 411514897 /nfs/dbraw/zinc/51/48/97/411514897.db2.gz CDZJTKOZTONQJI-ZDUSSCGKSA-N 1 0 242.366 3.921 20 30 BHEDRO C=CCCC[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657455479 411515598 /nfs/dbraw/zinc/51/55/98/411515598.db2.gz ROAHDEZTEMFNRF-UHFFFAOYSA-N 1 0 228.339 3.532 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657455939 411515956 /nfs/dbraw/zinc/51/59/56/411515956.db2.gz OCLQMHSAEVZINF-AWEZNQCLSA-N 1 0 242.366 3.921 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657455941 411515795 /nfs/dbraw/zinc/51/57/95/411515795.db2.gz OCLQMHSAEVZINF-CQSZACIVSA-N 1 0 242.366 3.921 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657456194 411516548 /nfs/dbraw/zinc/51/65/48/411516548.db2.gz QRRVZJJNYPQFEO-JTQLQIEISA-N 1 0 243.272 3.548 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657456195 411515689 /nfs/dbraw/zinc/51/56/89/411515689.db2.gz QRRVZJJNYPQFEO-SNVBAGLBSA-N 1 0 243.272 3.548 20 30 BHEDRO C=CCCC[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657456528 411516414 /nfs/dbraw/zinc/51/64/14/411516414.db2.gz ZYEQMQUDADEEQJ-UHFFFAOYSA-N 1 0 228.339 3.532 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657478539 411525667 /nfs/dbraw/zinc/52/56/67/411525667.db2.gz CAWUSOHJOXLMCG-UHFFFAOYSA-N 1 0 228.339 3.532 20 30 BHEDRO C=C(C)CC[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657479703 411528038 /nfs/dbraw/zinc/52/80/38/411528038.db2.gz MQHLUIOVXQSGNU-UHFFFAOYSA-N 1 0 228.339 3.532 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657481353 411526929 /nfs/dbraw/zinc/52/69/29/411526929.db2.gz OADSGCNUQUETHJ-UHFFFAOYSA-N 1 0 242.366 3.778 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cc2ccncc2s1 ZINC000657481571 411527010 /nfs/dbraw/zinc/52/70/10/411527010.db2.gz SEVYMOGZSWTTMI-UHFFFAOYSA-N 1 0 246.379 3.598 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657481833 411526598 /nfs/dbraw/zinc/52/65/98/411526598.db2.gz XOPVRJQHQRMLST-UHFFFAOYSA-N 1 0 242.366 3.778 20 30 BHEDRO C=C(CC)C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657483854 411528936 /nfs/dbraw/zinc/52/89/36/411528936.db2.gz DSQYXOHQUIBXEY-UHFFFAOYSA-N 1 0 228.339 3.532 20 30 BHEDRO C=C(CC)C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657484947 411530149 /nfs/dbraw/zinc/53/01/49/411530149.db2.gz SGIYDALCJTYYKA-UHFFFAOYSA-N 1 0 228.339 3.532 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000657528648 411542136 /nfs/dbraw/zinc/54/21/36/411542136.db2.gz HFQISDVBUYGEEQ-GDBMZVCRSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000657528649 411542341 /nfs/dbraw/zinc/54/23/41/411542341.db2.gz HFQISDVBUYGEEQ-GOEBONIOSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000657528650 411542117 /nfs/dbraw/zinc/54/21/17/411542117.db2.gz HFQISDVBUYGEEQ-HOCLYGCPSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000657528651 411542502 /nfs/dbraw/zinc/54/25/02/411542502.db2.gz HFQISDVBUYGEEQ-ZBFHGGJFSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000657528871 411541927 /nfs/dbraw/zinc/54/19/27/411541927.db2.gz MRTBLYIZHOHFSB-GXTWGEPZSA-N 1 0 219.328 3.504 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000657528872 411542263 /nfs/dbraw/zinc/54/22/63/411542263.db2.gz MRTBLYIZHOHFSB-JSGCOSHPSA-N 1 0 219.328 3.504 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000657528873 411542483 /nfs/dbraw/zinc/54/24/83/411542483.db2.gz MRTBLYIZHOHFSB-OCCSQVGLSA-N 1 0 219.328 3.504 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000657528874 411542302 /nfs/dbraw/zinc/54/23/02/411542302.db2.gz MRTBLYIZHOHFSB-TZMCWYRMSA-N 1 0 219.328 3.504 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000657529153 411543760 /nfs/dbraw/zinc/54/37/60/411543760.db2.gz QMPJCDAAVWPPSI-KBPBESRZSA-N 1 0 219.328 3.504 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000657529154 411543727 /nfs/dbraw/zinc/54/37/27/411543727.db2.gz QMPJCDAAVWPPSI-KGLIPLIRSA-N 1 0 219.328 3.504 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000657529155 411543922 /nfs/dbraw/zinc/54/39/22/411543922.db2.gz QMPJCDAAVWPPSI-UONOGXRCSA-N 1 0 219.328 3.504 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000657529156 411543725 /nfs/dbraw/zinc/54/37/25/411543725.db2.gz QMPJCDAAVWPPSI-ZIAGYGMSSA-N 1 0 219.328 3.504 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cn1 ZINC000657529311 411544757 /nfs/dbraw/zinc/54/47/57/411544757.db2.gz BUXIWAQDQBFYGX-GDBMZVCRSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cn1 ZINC000657529312 411544376 /nfs/dbraw/zinc/54/43/76/411544376.db2.gz BUXIWAQDQBFYGX-GOEBONIOSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)cn1 ZINC000657529313 411544649 /nfs/dbraw/zinc/54/46/49/411544649.db2.gz BUXIWAQDQBFYGX-HOCLYGCPSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)cn1 ZINC000657529314 411544591 /nfs/dbraw/zinc/54/45/91/411544591.db2.gz BUXIWAQDQBFYGX-ZBFHGGJFSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)COC(C)C ZINC000657529335 411544483 /nfs/dbraw/zinc/54/44/83/411544483.db2.gz CFUPVZYIWNXBII-KFWWJZLASA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)COC(C)C ZINC000657529336 411544635 /nfs/dbraw/zinc/54/46/35/411544635.db2.gz CFUPVZYIWNXBII-RBSFLKMASA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)COC(C)C ZINC000657529337 411544546 /nfs/dbraw/zinc/54/45/46/411544546.db2.gz CFUPVZYIWNXBII-RRFJBIMHSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)COC(C)C ZINC000657529338 411544749 /nfs/dbraw/zinc/54/47/49/411544749.db2.gz CFUPVZYIWNXBII-ZNMIVQPWSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C ZINC000657529575 411544672 /nfs/dbraw/zinc/54/46/72/411544672.db2.gz WXBSTBDAXCNTAQ-GDBMZVCRSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C ZINC000657529576 411544636 /nfs/dbraw/zinc/54/46/36/411544636.db2.gz WXBSTBDAXCNTAQ-GOEBONIOSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1C ZINC000657529577 411544653 /nfs/dbraw/zinc/54/46/53/411544653.db2.gz WXBSTBDAXCNTAQ-HOCLYGCPSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1C ZINC000657529578 411544560 /nfs/dbraw/zinc/54/45/60/411544560.db2.gz WXBSTBDAXCNTAQ-ZBFHGGJFSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000657529672 411544734 /nfs/dbraw/zinc/54/47/34/411544734.db2.gz GNCGCEOBVISMQF-HZSPNIEDSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000657529677 411544548 /nfs/dbraw/zinc/54/45/48/411544548.db2.gz GNCGCEOBVISMQF-MCIONIFRSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000657529678 411544423 /nfs/dbraw/zinc/54/44/23/411544423.db2.gz GNCGCEOBVISMQF-MGPQQGTHSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000657529680 411544657 /nfs/dbraw/zinc/54/46/57/411544657.db2.gz GNCGCEOBVISMQF-RDBSUJKOSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1C ZINC000657530005 411544016 /nfs/dbraw/zinc/54/40/16/411544016.db2.gz KPZCHLUBZQZAPE-GDBMZVCRSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1C ZINC000657530006 411544061 /nfs/dbraw/zinc/54/40/61/411544061.db2.gz KPZCHLUBZQZAPE-GOEBONIOSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1C ZINC000657530007 411543763 /nfs/dbraw/zinc/54/37/63/411543763.db2.gz KPZCHLUBZQZAPE-HOCLYGCPSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1C ZINC000657530008 411543989 /nfs/dbraw/zinc/54/39/89/411543989.db2.gz KPZCHLUBZQZAPE-ZBFHGGJFSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)nc1 ZINC000657530019 411544204 /nfs/dbraw/zinc/54/42/04/411544204.db2.gz LCTIPYXPKAHVBM-CVEARBPZSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)nc1 ZINC000657530020 411543843 /nfs/dbraw/zinc/54/38/43/411543843.db2.gz LCTIPYXPKAHVBM-HOTGVXAUSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000657530021 411543702 /nfs/dbraw/zinc/54/37/02/411543702.db2.gz LCTIPYXPKAHVBM-HZPDHXFCSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000657530022 411544202 /nfs/dbraw/zinc/54/42/02/411544202.db2.gz LCTIPYXPKAHVBM-JKSUJKDBSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CC1 ZINC000657530696 411544148 /nfs/dbraw/zinc/54/41/48/411544148.db2.gz RFNYNZBCSOYULK-BNOWGMLFSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CC1 ZINC000657530697 411543874 /nfs/dbraw/zinc/54/38/74/411543874.db2.gz RFNYNZBCSOYULK-IACUBPJLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CC1 ZINC000657530698 411544090 /nfs/dbraw/zinc/54/40/90/411544090.db2.gz RFNYNZBCSOYULK-MRVWCRGKSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CC1 ZINC000657530699 411543845 /nfs/dbraw/zinc/54/38/45/411543845.db2.gz RFNYNZBCSOYULK-YUTCNCBUSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C ZINC000657531109 411543686 /nfs/dbraw/zinc/54/36/86/411543686.db2.gz WPCWUGKBBOATME-GDBMZVCRSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C ZINC000657531110 411544058 /nfs/dbraw/zinc/54/40/58/411544058.db2.gz WPCWUGKBBOATME-GOEBONIOSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnccc1C ZINC000657531111 411543967 /nfs/dbraw/zinc/54/39/67/411543967.db2.gz WPCWUGKBBOATME-HOCLYGCPSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnccc1C ZINC000657531112 411543821 /nfs/dbraw/zinc/54/38/21/411543821.db2.gz WPCWUGKBBOATME-ZBFHGGJFSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)c2ccccn2)C1 ZINC000657535493 411545705 /nfs/dbraw/zinc/54/57/05/411545705.db2.gz NTKYWVHOWBEVFN-KFWWJZLASA-N 1 0 244.382 3.520 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)c2ccccn2)C1 ZINC000657535494 411545857 /nfs/dbraw/zinc/54/58/57/411545857.db2.gz NTKYWVHOWBEVFN-RBSFLKMASA-N 1 0 244.382 3.520 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)c2ccccn2)C1 ZINC000657535495 411545636 /nfs/dbraw/zinc/54/56/36/411545636.db2.gz NTKYWVHOWBEVFN-RRFJBIMHSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)c2ccccn2)C1 ZINC000657535496 411545588 /nfs/dbraw/zinc/54/55/88/411545588.db2.gz NTKYWVHOWBEVFN-ZNMIVQPWSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2ccccn2)CCCC1 ZINC000657566902 411553309 /nfs/dbraw/zinc/55/33/09/411553309.db2.gz CSHACWYRSWDQNE-UHFFFAOYSA-N 1 0 244.382 3.698 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2cccnc2)CCCC1 ZINC000657566935 411552913 /nfs/dbraw/zinc/55/29/13/411552913.db2.gz DXSRMGALOAYPEP-UHFFFAOYSA-N 1 0 244.382 3.698 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2cc[nH]c2)CCCC1 ZINC000657567015 411553221 /nfs/dbraw/zinc/55/32/21/411553221.db2.gz HNFQSTDWERJCFI-UHFFFAOYSA-N 1 0 232.371 3.631 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2conc2C)CCCC1 ZINC000657567131 411553267 /nfs/dbraw/zinc/55/32/67/411553267.db2.gz KFKMMZPOMQHSRU-UHFFFAOYSA-N 1 0 248.370 3.599 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2ccncc2)CCCC1 ZINC000657567923 411553094 /nfs/dbraw/zinc/55/30/94/411553094.db2.gz ZHJQNYSYGAHLGZ-UHFFFAOYSA-N 1 0 244.382 3.698 20 30 BHEDRO C=CCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000657582866 411554761 /nfs/dbraw/zinc/55/47/61/411554761.db2.gz KGTHRGILLXPXFR-UHFFFAOYSA-N 1 0 235.293 3.521 20 30 BHEDRO C=CCC[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000657582884 411554817 /nfs/dbraw/zinc/55/48/17/411554817.db2.gz LKUAUFKQQQNGJF-UHFFFAOYSA-N 1 0 247.235 3.510 20 30 BHEDRO C=CCC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000657583058 411554834 /nfs/dbraw/zinc/55/48/34/411554834.db2.gz WPJOEHFRZNCTHJ-LLVKDONJSA-N 1 0 223.747 3.609 20 30 BHEDRO C=CCC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000657583059 411554697 /nfs/dbraw/zinc/55/46/97/411554697.db2.gz WPJOEHFRZNCTHJ-NSHDSACASA-N 1 0 223.747 3.609 20 30 BHEDRO C=CCC[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000657583117 411554640 /nfs/dbraw/zinc/55/46/40/411554640.db2.gz AUDPMERWQXBPFM-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=CCC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000657583167 411554833 /nfs/dbraw/zinc/55/48/33/411554833.db2.gz DIDSCYJKIKYTCP-UHFFFAOYSA-N 1 0 243.272 3.680 20 30 BHEDRO C=CCC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000657583283 411555241 /nfs/dbraw/zinc/55/52/41/411555241.db2.gz ICUGTGCUIDKNNS-UHFFFAOYSA-N 1 0 243.272 3.680 20 30 BHEDRO C=CCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000657583819 411555144 /nfs/dbraw/zinc/55/51/44/411555144.db2.gz QVDKGNCXEGPRDE-CVEARBPZSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000657583821 411555043 /nfs/dbraw/zinc/55/50/43/411555043.db2.gz QVDKGNCXEGPRDE-HOTGVXAUSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000657583822 411555262 /nfs/dbraw/zinc/55/52/62/411555262.db2.gz QVDKGNCXEGPRDE-HZPDHXFCSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000657583824 411555290 /nfs/dbraw/zinc/55/52/90/411555290.db2.gz QVDKGNCXEGPRDE-JKSUJKDBSA-N 1 0 229.367 3.564 20 30 BHEDRO C=CCC[NH2+]Cc1csc(Cl)c1Cl ZINC000657583947 411554983 /nfs/dbraw/zinc/55/49/83/411554983.db2.gz USUMVQSHIPKCNM-UHFFFAOYSA-N 1 0 236.167 3.721 20 30 BHEDRO C=CCC[NH2+]Cc1cc2ccccc2cc1OC ZINC000657584078 411555101 /nfs/dbraw/zinc/55/51/01/411555101.db2.gz WXTFZMUVBGIMFE-UHFFFAOYSA-N 1 0 241.334 3.514 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cscn2)C1 ZINC000657600477 411558436 /nfs/dbraw/zinc/55/84/36/411558436.db2.gz PLGKTBQTLRGXSI-IJLUTSLNSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cscn2)C1 ZINC000657600478 411558347 /nfs/dbraw/zinc/55/83/47/411558347.db2.gz PLGKTBQTLRGXSI-QJPTWQEYSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cscn2)C1 ZINC000657600479 411558534 /nfs/dbraw/zinc/55/85/34/411558534.db2.gz PLGKTBQTLRGXSI-TUAOUCFPSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cscn2)C1 ZINC000657600480 411558383 /nfs/dbraw/zinc/55/83/83/411558383.db2.gz PLGKTBQTLRGXSI-UTUOFQBUSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCOC(C)(C)C)C1 ZINC000657637598 411567884 /nfs/dbraw/zinc/56/78/84/411567884.db2.gz HQDXVVMFDMGUGE-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCOC(C)(C)C)C1 ZINC000657637599 411567858 /nfs/dbraw/zinc/56/78/58/411567858.db2.gz HQDXVVMFDMGUGE-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCOC(C)(C)C)C1 ZINC000657637601 411567598 /nfs/dbraw/zinc/56/75/98/411567598.db2.gz HQDXVVMFDMGUGE-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCOC(C)(C)C)C1 ZINC000657637602 411567903 /nfs/dbraw/zinc/56/79/03/411567903.db2.gz HQDXVVMFDMGUGE-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC000657672412 411575546 /nfs/dbraw/zinc/57/55/46/411575546.db2.gz AUKPWJPZXOUMPN-AGIUHOORSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC000657672413 411575817 /nfs/dbraw/zinc/57/58/17/411575817.db2.gz AUKPWJPZXOUMPN-FRRDWIJNSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC000657672414 411576064 /nfs/dbraw/zinc/57/60/64/411576064.db2.gz AUKPWJPZXOUMPN-JHJVBQTASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC000657672415 411575942 /nfs/dbraw/zinc/57/59/42/411575942.db2.gz AUKPWJPZXOUMPN-UPJWGTAASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(Cl)o2)CCCC1 ZINC000657701777 411583299 /nfs/dbraw/zinc/58/32/99/411583299.db2.gz BRRUKCODTFJCOX-UHFFFAOYSA-N 1 0 239.746 3.912 20 30 BHEDRO C=CCC1([NH2+]Cc2cccs2)CCCC1 ZINC000657701787 411583210 /nfs/dbraw/zinc/58/32/10/411583210.db2.gz BXZUKZFFJXANSK-UHFFFAOYSA-N 1 0 221.369 3.727 20 30 BHEDRO C=CCC1([NH2+]Cc2ccccc2OC)CCCC1 ZINC000657701835 411583233 /nfs/dbraw/zinc/58/32/33/411583233.db2.gz CCXIMFBXRDAEGM-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(OC)cc2)CCCC1 ZINC000657702436 411582994 /nfs/dbraw/zinc/58/29/94/411582994.db2.gz JILFBWUFPKBXGZ-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO C=CCC1([NH2+]Cc2occc2C)CCCC1 ZINC000657702471 411583072 /nfs/dbraw/zinc/58/30/72/411583072.db2.gz KHDKDAIROAMWBP-UHFFFAOYSA-N 1 0 219.328 3.567 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(C)o2)CCCC1 ZINC000657702905 411583317 /nfs/dbraw/zinc/58/33/17/411583317.db2.gz PWVOVBMUAAZSFG-UHFFFAOYSA-N 1 0 219.328 3.567 20 30 BHEDRO C=CCC1([NH2+]Cc2ccoc2C)CCCC1 ZINC000657703085 411583081 /nfs/dbraw/zinc/58/30/81/411583081.db2.gz SJOREMLUMCQPRP-UHFFFAOYSA-N 1 0 219.328 3.567 20 30 BHEDRO C=CCC1([NH2+]Cc2cccc(OC)c2)CCCC1 ZINC000657703144 411583049 /nfs/dbraw/zinc/58/30/49/411583049.db2.gz UWMGWRHWPHPZCC-UHFFFAOYSA-N 1 0 245.366 3.674 20 30 BHEDRO C=CCC1([NH2+]Cc2ccsc2)CCCC1 ZINC000657703238 411583457 /nfs/dbraw/zinc/58/34/57/411583457.db2.gz VMFHTSXWMVMHQA-UHFFFAOYSA-N 1 0 221.369 3.727 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)C1 ZINC000657737011 411588418 /nfs/dbraw/zinc/58/84/18/411588418.db2.gz BLBRBIZWUFSKMX-GRYCIOLGSA-N 1 0 243.341 3.612 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)C1 ZINC000657737012 411588045 /nfs/dbraw/zinc/58/80/45/411588045.db2.gz BLBRBIZWUFSKMX-IJLUTSLNSA-N 1 0 243.341 3.612 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)C1 ZINC000657737013 411587994 /nfs/dbraw/zinc/58/79/94/411587994.db2.gz BLBRBIZWUFSKMX-UTUOFQBUSA-N 1 0 243.341 3.612 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)C1 ZINC000657737014 411588076 /nfs/dbraw/zinc/58/80/76/411588076.db2.gz BLBRBIZWUFSKMX-WOPDTQHZSA-N 1 0 243.341 3.612 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCc2ccco2)C1 ZINC000657783220 411594957 /nfs/dbraw/zinc/59/49/57/411594957.db2.gz SEOXGBMLNWZBAU-KBPBESRZSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCc2ccco2)C1 ZINC000657783221 411594867 /nfs/dbraw/zinc/59/48/67/411594867.db2.gz SEOXGBMLNWZBAU-KGLIPLIRSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCc2ccco2)C1 ZINC000657783223 411594767 /nfs/dbraw/zinc/59/47/67/411594767.db2.gz SEOXGBMLNWZBAU-UONOGXRCSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCc2ccco2)C1 ZINC000657783224 411594806 /nfs/dbraw/zinc/59/48/06/411594806.db2.gz SEOXGBMLNWZBAU-ZIAGYGMSSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000657801645 411599552 /nfs/dbraw/zinc/59/95/52/411599552.db2.gz AREICOABTNMACI-NEPJUHHUSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000657801646 411599394 /nfs/dbraw/zinc/59/93/94/411599394.db2.gz AREICOABTNMACI-NWDGAFQWSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000657801648 411599435 /nfs/dbraw/zinc/59/94/35/411599435.db2.gz AREICOABTNMACI-RYUDHWBXSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000657801649 411599384 /nfs/dbraw/zinc/59/93/84/411599384.db2.gz AREICOABTNMACI-VXGBXAGGSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(Cl)o1 ZINC000657804642 411600153 /nfs/dbraw/zinc/60/01/53/411600153.db2.gz AFNXCWBDWBXABW-UHFFFAOYSA-N 1 0 227.735 3.767 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ncc(Cl)s1 ZINC000657804790 411600110 /nfs/dbraw/zinc/60/01/10/411600110.db2.gz DLIGERAZNWWPGN-UHFFFAOYSA-N 1 0 244.791 3.631 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(F)c1 ZINC000657804798 411600405 /nfs/dbraw/zinc/60/04/05/411600405.db2.gz DOIFKYBJOVZSNK-UHFFFAOYSA-N 1 0 221.319 3.660 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccsc1 ZINC000657804910 411600530 /nfs/dbraw/zinc/60/05/30/411600530.db2.gz GZCRJBGLRZMRNY-UHFFFAOYSA-N 1 0 209.358 3.583 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(F)cc1 ZINC000657804922 411600463 /nfs/dbraw/zinc/60/04/63/411600463.db2.gz HJRRSBGAEVAMLD-UHFFFAOYSA-N 1 0 221.319 3.660 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cn(C(C)C)nc1C ZINC000657804935 411600240 /nfs/dbraw/zinc/60/02/40/411600240.db2.gz HUIGAPHJSWLKIS-UHFFFAOYSA-N 1 0 249.402 3.607 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccccc1OC ZINC000657805087 411600354 /nfs/dbraw/zinc/60/03/54/411600354.db2.gz JQCYFOBMSNIYFU-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C)s1 ZINC000657805118 411600581 /nfs/dbraw/zinc/60/05/81/411600581.db2.gz KSWIOBTUFKOCFF-UHFFFAOYSA-N 1 0 223.385 3.891 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(COC)c1 ZINC000657805119 411600567 /nfs/dbraw/zinc/60/05/67/411600567.db2.gz KTPMQIKAPGKSIP-UHFFFAOYSA-N 1 0 247.382 3.667 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccccc1F ZINC000657805134 411600238 /nfs/dbraw/zinc/60/02/38/411600238.db2.gz LDOXZZIBECQWDE-UHFFFAOYSA-N 1 0 221.319 3.660 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1sccc1OC ZINC000657805158 411600175 /nfs/dbraw/zinc/60/01/75/411600175.db2.gz MASVYGOTFXNJHZ-UHFFFAOYSA-N 1 0 239.384 3.591 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1sccc1C ZINC000657805355 411600532 /nfs/dbraw/zinc/60/05/32/411600532.db2.gz NCIYLMLYVHVFQA-UHFFFAOYSA-N 1 0 223.385 3.891 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OC)cc1 ZINC000657805400 411600598 /nfs/dbraw/zinc/60/05/98/411600598.db2.gz NYXPUEWCHZZBQG-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccccc1 ZINC000657805434 411600001 /nfs/dbraw/zinc/60/00/01/411600001.db2.gz OOAMRRIPCATEEZ-UHFFFAOYSA-N 1 0 203.329 3.521 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1csc(CC)n1 ZINC000657805489 411600449 /nfs/dbraw/zinc/60/04/49/411600449.db2.gz QIKXHDRKVNIYCW-UHFFFAOYSA-N 1 0 238.400 3.540 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(COC)cc1 ZINC000657805569 411600078 /nfs/dbraw/zinc/60/00/78/411600078.db2.gz RARWKSFBXDAINR-UHFFFAOYSA-N 1 0 247.382 3.667 20 30 BHEDRO C=CCCC(C)(C)[NH2+]C[C@@H]1CC=CCC1 ZINC000657805590 411600502 /nfs/dbraw/zinc/60/05/02/411600502.db2.gz RKYMVDYRUGSADE-CYBMUJFWSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CC=CCC1 ZINC000657805591 411600452 /nfs/dbraw/zinc/60/04/52/411600452.db2.gz RKYMVDYRUGSADE-ZDUSSCGKSA-N 1 0 207.361 3.677 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cc2cnccc2o1 ZINC000657805839 411600277 /nfs/dbraw/zinc/60/02/77/411600277.db2.gz FJIGNZNTRFWWGJ-UHFFFAOYSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cc2cccnc2o1 ZINC000657805880 411600378 /nfs/dbraw/zinc/60/03/78/411600378.db2.gz VQENXWUOMPJVTR-UHFFFAOYSA-N 1 0 244.338 3.662 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(OC)c1 ZINC000657805881 411600213 /nfs/dbraw/zinc/60/02/13/411600213.db2.gz VTAABEAGLZVKCV-UHFFFAOYSA-N 1 0 233.355 3.530 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccsc1C ZINC000657805889 411600619 /nfs/dbraw/zinc/60/06/19/411600619.db2.gz WCJFLRPKQZKXOF-UHFFFAOYSA-N 1 0 223.385 3.891 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1csc(C)c1 ZINC000657805940 411600542 /nfs/dbraw/zinc/60/05/42/411600542.db2.gz XXJZSLMUAXAUIT-UHFFFAOYSA-N 1 0 223.385 3.891 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cccs1 ZINC000657805941 411600161 /nfs/dbraw/zinc/60/01/61/411600161.db2.gz XXNQWCWVLMKGNW-UHFFFAOYSA-N 1 0 209.358 3.583 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cnc(CC)s1 ZINC000657805943 411600422 /nfs/dbraw/zinc/60/04/22/411600422.db2.gz XZNUYERIDRSGJC-UHFFFAOYSA-N 1 0 238.400 3.540 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ncc(CC)s1 ZINC000657805968 411600336 /nfs/dbraw/zinc/60/03/36/411600336.db2.gz ZJAKMRQSIMEJSV-UHFFFAOYSA-N 1 0 238.400 3.540 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000657818299 411606010 /nfs/dbraw/zinc/60/60/10/411606010.db2.gz BJQGYCXAHDYJKJ-DZGCQCFKSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000657818302 411605737 /nfs/dbraw/zinc/60/57/37/411605737.db2.gz BJQGYCXAHDYJKJ-HIFRSBDPSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000657818304 411605937 /nfs/dbraw/zinc/60/59/37/411605937.db2.gz BJQGYCXAHDYJKJ-UKRRQHHQSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000657818307 411606028 /nfs/dbraw/zinc/60/60/28/411606028.db2.gz BJQGYCXAHDYJKJ-ZFWWWQNUSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCOC(C)C ZINC000657819072 411606358 /nfs/dbraw/zinc/60/63/58/411606358.db2.gz DVJDEUUVWYKVMJ-CABCVRRESA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCOC(C)C ZINC000657819074 411606722 /nfs/dbraw/zinc/60/67/22/411606722.db2.gz DVJDEUUVWYKVMJ-GJZGRUSLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCOC(C)C ZINC000657819076 411606705 /nfs/dbraw/zinc/60/67/05/411606705.db2.gz DVJDEUUVWYKVMJ-HUUCEWRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCOC(C)C ZINC000657819078 411606348 /nfs/dbraw/zinc/60/63/48/411606348.db2.gz DVJDEUUVWYKVMJ-LSDHHAIUSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000657841517 411609880 /nfs/dbraw/zinc/60/98/80/411609880.db2.gz DXMPOENQMCSLKM-GDBMZVCRSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000657841518 411610006 /nfs/dbraw/zinc/61/00/06/411610006.db2.gz DXMPOENQMCSLKM-GOEBONIOSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000657841519 411610074 /nfs/dbraw/zinc/61/00/74/411610074.db2.gz DXMPOENQMCSLKM-HOCLYGCPSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000657841520 411610055 /nfs/dbraw/zinc/61/00/55/411610055.db2.gz DXMPOENQMCSLKM-ZBFHGGJFSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCOCC ZINC000657847131 411611401 /nfs/dbraw/zinc/61/14/01/411611401.db2.gz UNOZAUSYZGJHFM-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCOCC ZINC000657847132 411611350 /nfs/dbraw/zinc/61/13/50/411611350.db2.gz UNOZAUSYZGJHFM-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCOCC ZINC000657847133 411611147 /nfs/dbraw/zinc/61/11/47/411611147.db2.gz UNOZAUSYZGJHFM-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCOCC ZINC000657847134 411610976 /nfs/dbraw/zinc/61/09/76/411610976.db2.gz UNOZAUSYZGJHFM-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c(C)noc1C ZINC000657849407 488148747 /nfs/dbraw/zinc/14/87/47/488148747.db2.gz AHSRUIHPVAJOFR-DZGCQCFKSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C)noc1C ZINC000657849408 488148884 /nfs/dbraw/zinc/14/88/84/488148884.db2.gz AHSRUIHPVAJOFR-HIFRSBDPSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)noc1C ZINC000657849409 488148779 /nfs/dbraw/zinc/14/87/79/488148779.db2.gz AHSRUIHPVAJOFR-UKRRQHHQSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)noc1C ZINC000657849410 488148560 /nfs/dbraw/zinc/14/85/60/488148560.db2.gz AHSRUIHPVAJOFR-ZFWWWQNUSA-N 1 0 248.370 3.516 20 30 BHEDRO C=C(C[NH2+][C@H]1CCCC12CC2)c1ccccc1 ZINC000657855510 488149872 /nfs/dbraw/zinc/14/98/72/488149872.db2.gz DVGSNSGGHYTZQI-HNNXBMFYSA-N 1 0 227.351 3.622 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCCC12CC2)c1ccccc1 ZINC000657855511 488150265 /nfs/dbraw/zinc/15/02/65/488150265.db2.gz DVGSNSGGHYTZQI-OAHLLOKOSA-N 1 0 227.351 3.622 20 30 BHEDRO C=C(C[NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657855783 488149914 /nfs/dbraw/zinc/14/99/14/488149914.db2.gz HHPVECBIPHSYFN-HNNXBMFYSA-N 1 0 247.407 3.575 20 30 BHEDRO C=C(C[NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657855785 488149882 /nfs/dbraw/zinc/14/98/82/488149882.db2.gz HHPVECBIPHSYFN-OAHLLOKOSA-N 1 0 247.407 3.575 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCOC ZINC000657860156 488153183 /nfs/dbraw/zinc/15/31/83/488153183.db2.gz CFHLBSGQUULVCP-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCCOC ZINC000657860157 488152806 /nfs/dbraw/zinc/15/28/06/488152806.db2.gz CFHLBSGQUULVCP-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCCOC ZINC000657860158 488152334 /nfs/dbraw/zinc/15/23/34/488152334.db2.gz CFHLBSGQUULVCP-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCCOC ZINC000657860159 488153197 /nfs/dbraw/zinc/15/31/97/488153197.db2.gz CFHLBSGQUULVCP-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000657865613 411613041 /nfs/dbraw/zinc/61/30/41/411613041.db2.gz UYHKATJATPSFFB-GDBMZVCRSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000657865616 411613428 /nfs/dbraw/zinc/61/34/28/411613428.db2.gz UYHKATJATPSFFB-GOEBONIOSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000657865618 411613275 /nfs/dbraw/zinc/61/32/75/411613275.db2.gz UYHKATJATPSFFB-HOCLYGCPSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000657865619 411613207 /nfs/dbraw/zinc/61/32/07/411613207.db2.gz UYHKATJATPSFFB-ZBFHGGJFSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1C ZINC000657877670 488159542 /nfs/dbraw/zinc/15/95/42/488159542.db2.gz DUTYRJIKMILKRM-CABCVRRESA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1C ZINC000657877672 488159631 /nfs/dbraw/zinc/15/96/31/488159631.db2.gz DUTYRJIKMILKRM-GJZGRUSLSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC000657877674 488159849 /nfs/dbraw/zinc/15/98/49/488159849.db2.gz DUTYRJIKMILKRM-HUUCEWRRSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC000657877676 488159671 /nfs/dbraw/zinc/15/96/71/488159671.db2.gz DUTYRJIKMILKRM-LSDHHAIUSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000657901277 411160620 /nfs/dbraw/zinc/16/06/20/411160620.db2.gz BDSFFIINDXLSMX-GHMZBOCLSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000657901278 411161215 /nfs/dbraw/zinc/16/12/15/411161215.db2.gz BDSFFIINDXLSMX-MNOVXSKESA-N 1 0 235.293 3.663 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000657901280 411161016 /nfs/dbraw/zinc/16/10/16/411161016.db2.gz BDSFFIINDXLSMX-QWRGUYRKSA-N 1 0 235.293 3.663 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000657901281 411161175 /nfs/dbraw/zinc/16/11/75/411161175.db2.gz BDSFFIINDXLSMX-WDEREUQCSA-N 1 0 235.293 3.663 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657903563 411160772 /nfs/dbraw/zinc/16/07/72/411160772.db2.gz HORHZPQFXUATKL-NXEZZACHSA-N 1 0 232.352 3.521 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657903564 411161095 /nfs/dbraw/zinc/16/10/95/411161095.db2.gz HORHZPQFXUATKL-UWVGGRQHSA-N 1 0 232.352 3.521 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657903565 411161005 /nfs/dbraw/zinc/16/10/05/411161005.db2.gz HORHZPQFXUATKL-VHSXEESVSA-N 1 0 232.352 3.521 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657903566 411161024 /nfs/dbraw/zinc/16/10/24/411161024.db2.gz HORHZPQFXUATKL-ZJUUUORDSA-N 1 0 232.352 3.521 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000657915206 411166204 /nfs/dbraw/zinc/16/62/04/411166204.db2.gz XDLLWBTWYPHYEJ-GXTWGEPZSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000657915207 411165642 /nfs/dbraw/zinc/16/56/42/411165642.db2.gz XDLLWBTWYPHYEJ-JSGCOSHPSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000657915208 411166053 /nfs/dbraw/zinc/16/60/53/411166053.db2.gz XDLLWBTWYPHYEJ-OCCSQVGLSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000657915209 411165755 /nfs/dbraw/zinc/16/57/55/411165755.db2.gz XDLLWBTWYPHYEJ-TZMCWYRMSA-N 1 0 239.428 3.607 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657917998 411166296 /nfs/dbraw/zinc/16/62/96/411166296.db2.gz HLBCAFNVJOVFAY-GHMZBOCLSA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657917999 411165997 /nfs/dbraw/zinc/16/59/97/411165997.db2.gz HLBCAFNVJOVFAY-MNOVXSKESA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657918001 411166365 /nfs/dbraw/zinc/16/63/65/411166365.db2.gz HLBCAFNVJOVFAY-QWRGUYRKSA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657918003 411166104 /nfs/dbraw/zinc/16/61/04/411166104.db2.gz HLBCAFNVJOVFAY-WDEREUQCSA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657919667 411167086 /nfs/dbraw/zinc/16/70/86/411167086.db2.gz UWLXHFADFZIACF-NXEZZACHSA-N 1 0 240.297 3.634 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657919668 411167127 /nfs/dbraw/zinc/16/71/27/411167127.db2.gz UWLXHFADFZIACF-UWVGGRQHSA-N 1 0 240.297 3.634 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657919670 411166888 /nfs/dbraw/zinc/16/68/88/411166888.db2.gz UWLXHFADFZIACF-VHSXEESVSA-N 1 0 240.297 3.634 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657919671 411167077 /nfs/dbraw/zinc/16/70/77/411167077.db2.gz UWLXHFADFZIACF-ZJUUUORDSA-N 1 0 240.297 3.634 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000657935252 411172308 /nfs/dbraw/zinc/17/23/08/411172308.db2.gz IMWLCPVFORPURO-CVEARBPZSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncc(C)c1 ZINC000657935254 411172440 /nfs/dbraw/zinc/17/24/40/411172440.db2.gz IMWLCPVFORPURO-HOTGVXAUSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000657935256 411172547 /nfs/dbraw/zinc/17/25/47/411172547.db2.gz IMWLCPVFORPURO-HZPDHXFCSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000657935257 411172584 /nfs/dbraw/zinc/17/25/84/411172584.db2.gz IMWLCPVFORPURO-JKSUJKDBSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000657940179 411175706 /nfs/dbraw/zinc/17/57/06/411175706.db2.gz GHMIAONOTBMLPO-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCSCC1 ZINC000657940180 411175590 /nfs/dbraw/zinc/17/55/90/411175590.db2.gz GHMIAONOTBMLPO-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCSCC1 ZINC000657940181 411175339 /nfs/dbraw/zinc/17/53/39/411175339.db2.gz GHMIAONOTBMLPO-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCSCC1 ZINC000657940182 411175576 /nfs/dbraw/zinc/17/55/76/411175576.db2.gz GHMIAONOTBMLPO-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000657940532 411175688 /nfs/dbraw/zinc/17/56/88/411175688.db2.gz JQKVJMUJSUVRAI-NFOMZHRRSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000657940533 411175327 /nfs/dbraw/zinc/17/53/27/411175327.db2.gz JQKVJMUJSUVRAI-WLYUNCDWSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000657943298 411176367 /nfs/dbraw/zinc/17/63/67/411176367.db2.gz QAMOABKATKQRQE-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000657943300 411176350 /nfs/dbraw/zinc/17/63/50/411176350.db2.gz QAMOABKATKQRQE-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000657943302 411176301 /nfs/dbraw/zinc/17/63/01/411176301.db2.gz QAMOABKATKQRQE-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000657943304 411176401 /nfs/dbraw/zinc/17/64/01/411176401.db2.gz QAMOABKATKQRQE-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000657955312 411180830 /nfs/dbraw/zinc/18/08/30/411180830.db2.gz ZQTYMUBSQUDWBQ-AGIUHOORSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000657955314 411181031 /nfs/dbraw/zinc/18/10/31/411181031.db2.gz ZQTYMUBSQUDWBQ-FRRDWIJNSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000657955315 411180530 /nfs/dbraw/zinc/18/05/30/411180530.db2.gz ZQTYMUBSQUDWBQ-JHJVBQTASA-N 1 0 243.341 3.899 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000657955316 411180766 /nfs/dbraw/zinc/18/07/66/411180766.db2.gz ZQTYMUBSQUDWBQ-UPJWGTAASA-N 1 0 243.341 3.899 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657975807 487500652 /nfs/dbraw/zinc/50/06/52/487500652.db2.gz GCFVSSKDNRMFHI-GFCCVEGCSA-N 1 0 244.338 3.835 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657975808 487500733 /nfs/dbraw/zinc/50/07/33/487500733.db2.gz GCFVSSKDNRMFHI-LBPRGKRZSA-N 1 0 244.338 3.835 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657976192 411185311 /nfs/dbraw/zinc/18/53/11/411185311.db2.gz LRBFLVZGNULZLU-JTQLQIEISA-N 1 0 219.319 3.612 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657976193 411185188 /nfs/dbraw/zinc/18/51/88/411185188.db2.gz LRBFLVZGNULZLU-SNVBAGLBSA-N 1 0 219.319 3.612 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)OCC ZINC000657983834 411188985 /nfs/dbraw/zinc/18/89/85/411188985.db2.gz YFTAWWQLAWNZFJ-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)OCC ZINC000657983835 411188755 /nfs/dbraw/zinc/18/87/55/411188755.db2.gz YFTAWWQLAWNZFJ-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)OCC ZINC000657983836 411189317 /nfs/dbraw/zinc/18/93/17/411189317.db2.gz YFTAWWQLAWNZFJ-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)OCC ZINC000657983837 411189270 /nfs/dbraw/zinc/18/92/70/411189270.db2.gz YFTAWWQLAWNZFJ-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657995511 411192099 /nfs/dbraw/zinc/19/20/99/411192099.db2.gz IHCKPZRQAIGSEX-JTQLQIEISA-N 1 0 240.297 3.636 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657995512 411191889 /nfs/dbraw/zinc/19/18/89/411191889.db2.gz IHCKPZRQAIGSEX-SNVBAGLBSA-N 1 0 240.297 3.636 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657996377 411191937 /nfs/dbraw/zinc/19/19/37/411191937.db2.gz PPOCCWBYVOPBFS-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657996380 411192149 /nfs/dbraw/zinc/19/21/49/411192149.db2.gz PPOCCWBYVOPBFS-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000657997288 411192650 /nfs/dbraw/zinc/19/26/50/411192650.db2.gz AUNNBVPGDYAVAA-NEPJUHHUSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000657997289 411192574 /nfs/dbraw/zinc/19/25/74/411192574.db2.gz AUNNBVPGDYAVAA-NWDGAFQWSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000657997290 411192663 /nfs/dbraw/zinc/19/26/63/411192663.db2.gz AUNNBVPGDYAVAA-RYUDHWBXSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000657997291 411192620 /nfs/dbraw/zinc/19/26/20/411192620.db2.gz AUNNBVPGDYAVAA-VXGBXAGGSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658000458 411194045 /nfs/dbraw/zinc/19/40/45/411194045.db2.gz BRLBJKQXDZUQSR-AAEUAGOBSA-N 1 0 244.338 3.833 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658000460 411193848 /nfs/dbraw/zinc/19/38/48/411193848.db2.gz BRLBJKQXDZUQSR-DGCLKSJQSA-N 1 0 244.338 3.833 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658000462 411193907 /nfs/dbraw/zinc/19/39/07/411193907.db2.gz BRLBJKQXDZUQSR-WCQYABFASA-N 1 0 244.338 3.833 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658000464 411193855 /nfs/dbraw/zinc/19/38/55/411193855.db2.gz BRLBJKQXDZUQSR-YPMHNXCESA-N 1 0 244.338 3.833 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000658018582 411198630 /nfs/dbraw/zinc/19/86/30/411198630.db2.gz RVGCDRIDGMBMTK-CHWSQXEVSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000658018585 411198362 /nfs/dbraw/zinc/19/83/62/411198362.db2.gz RVGCDRIDGMBMTK-OLZOCXBDSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000658018588 411198837 /nfs/dbraw/zinc/19/88/37/411198837.db2.gz RVGCDRIDGMBMTK-QWHCGFSZSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000658018589 411198851 /nfs/dbraw/zinc/19/88/51/411198851.db2.gz RVGCDRIDGMBMTK-STQMWFEESA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000658022711 411200482 /nfs/dbraw/zinc/20/04/82/411200482.db2.gz CXJOXOIYJDLNDE-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(F)F ZINC000658022713 411200411 /nfs/dbraw/zinc/20/04/11/411200411.db2.gz CXJOXOIYJDLNDE-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000658022715 411200768 /nfs/dbraw/zinc/20/07/68/411200768.db2.gz CXJOXOIYJDLNDE-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(F)F ZINC000658022716 411200378 /nfs/dbraw/zinc/20/03/78/411200378.db2.gz CXJOXOIYJDLNDE-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658024168 411201371 /nfs/dbraw/zinc/20/13/71/411201371.db2.gz VANJUCVXSINQCM-JTQLQIEISA-N 1 0 233.346 3.858 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658024170 411201968 /nfs/dbraw/zinc/20/19/68/411201968.db2.gz VANJUCVXSINQCM-SNVBAGLBSA-N 1 0 233.346 3.858 20 30 BHEDRO C=CCC(C)(C)C[NH2+]C1CCC(OCC)CC1 ZINC000658024241 411201832 /nfs/dbraw/zinc/20/18/32/411201832.db2.gz WMAMMCKRCOYDBA-UHFFFAOYSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(C)c1 ZINC000658025429 411202465 /nfs/dbraw/zinc/20/24/65/411202465.db2.gz BTXHGDOQPCWKJF-CVEARBPZSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(C)c1 ZINC000658025430 411202536 /nfs/dbraw/zinc/20/25/36/411202536.db2.gz BTXHGDOQPCWKJF-HOTGVXAUSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(C)c1 ZINC000658025431 411202881 /nfs/dbraw/zinc/20/28/81/411202881.db2.gz BTXHGDOQPCWKJF-HZPDHXFCSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(C)c1 ZINC000658025432 411202539 /nfs/dbraw/zinc/20/25/39/411202539.db2.gz BTXHGDOQPCWKJF-JKSUJKDBSA-N 1 0 244.382 3.615 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000658026920 411203567 /nfs/dbraw/zinc/20/35/67/411203567.db2.gz IIWHGUPGFWBDRJ-JTQLQIEISA-N 1 0 240.297 3.636 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000658026922 411203589 /nfs/dbraw/zinc/20/35/89/411203589.db2.gz IIWHGUPGFWBDRJ-SNVBAGLBSA-N 1 0 240.297 3.636 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000658027501 411204492 /nfs/dbraw/zinc/20/44/92/411204492.db2.gz MZFBUHZZAUTIKH-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000658027503 411205080 /nfs/dbraw/zinc/20/50/80/411205080.db2.gz MZFBUHZZAUTIKH-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CC1 ZINC000658028225 411205252 /nfs/dbraw/zinc/20/52/52/411205252.db2.gz RFNYNZBCSOYULK-FPMFFAJLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@H](C)C1CC1 ZINC000658028226 411205604 /nfs/dbraw/zinc/20/56/04/411205604.db2.gz RFNYNZBCSOYULK-KWCYVHTRSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CC1 ZINC000658028229 411205263 /nfs/dbraw/zinc/20/52/63/411205263.db2.gz RFNYNZBCSOYULK-UBHSHLNASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CC1 ZINC000658028232 411205778 /nfs/dbraw/zinc/20/57/78/411205778.db2.gz RFNYNZBCSOYULK-XBFCOCLRSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658028372 411205848 /nfs/dbraw/zinc/20/58/48/411205848.db2.gz CXOMJIWWEMBWRG-LLVKDONJSA-N 1 0 244.338 3.691 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658028373 411205567 /nfs/dbraw/zinc/20/55/67/411205567.db2.gz CXOMJIWWEMBWRG-NSHDSACASA-N 1 0 244.338 3.691 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000658032140 411210633 /nfs/dbraw/zinc/21/06/33/411210633.db2.gz OCBWHGQQYLNYHE-LLVKDONJSA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000658032141 411210525 /nfs/dbraw/zinc/21/05/25/411210525.db2.gz OCBWHGQQYLNYHE-NSHDSACASA-N 1 0 246.379 3.913 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000658032529 411210065 /nfs/dbraw/zinc/21/00/65/411210065.db2.gz UFDXAOMZTMQOEH-JTQLQIEISA-N 1 0 240.297 3.636 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000658032530 411210528 /nfs/dbraw/zinc/21/05/28/411210528.db2.gz UFDXAOMZTMQOEH-SNVBAGLBSA-N 1 0 240.297 3.636 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000658033667 411209703 /nfs/dbraw/zinc/20/97/03/411209703.db2.gz HRBMTGHLLXTRIL-CRWXNKLISA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CS[C@@H](C)C1 ZINC000658033668 411209036 /nfs/dbraw/zinc/20/90/36/411209036.db2.gz HRBMTGHLLXTRIL-DGAVXFQQSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CS[C@H](C)C1 ZINC000658033669 411209122 /nfs/dbraw/zinc/20/91/22/411209122.db2.gz HRBMTGHLLXTRIL-MQYQWHSLSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CS[C@H](C)C1 ZINC000658033670 411209043 /nfs/dbraw/zinc/20/90/43/411209043.db2.gz HRBMTGHLLXTRIL-SYQHCUMBSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000658033763 411209033 /nfs/dbraw/zinc/20/90/33/411209033.db2.gz CTNRWUWPRJVREH-LOWDOPEQSA-N 1 0 243.341 3.755 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000658033765 411209665 /nfs/dbraw/zinc/20/96/65/411209665.db2.gz CTNRWUWPRJVREH-LPWJVIDDSA-N 1 0 243.341 3.755 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000658033766 411209693 /nfs/dbraw/zinc/20/96/93/411209693.db2.gz CTNRWUWPRJVREH-NDBYEHHHSA-N 1 0 243.341 3.755 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000658033768 411209067 /nfs/dbraw/zinc/20/90/67/411209067.db2.gz CTNRWUWPRJVREH-RNJOBUHISA-N 1 0 243.341 3.755 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000658039308 411214557 /nfs/dbraw/zinc/21/45/57/411214557.db2.gz XXRRAOFXOSTJDG-APIJFGDWSA-N 1 0 245.366 3.860 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000658039310 411214784 /nfs/dbraw/zinc/21/47/84/411214784.db2.gz XXRRAOFXOSTJDG-GBJTYRQASA-N 1 0 245.366 3.860 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000658039311 411214914 /nfs/dbraw/zinc/21/49/14/411214914.db2.gz XXRRAOFXOSTJDG-KBUPBQIOSA-N 1 0 245.366 3.860 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000658039313 411214750 /nfs/dbraw/zinc/21/47/50/411214750.db2.gz XXRRAOFXOSTJDG-LJISPDSOSA-N 1 0 245.366 3.860 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000658041319 411214472 /nfs/dbraw/zinc/21/44/72/411214472.db2.gz XQMDLTPTBALWOZ-QMIVOQANSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000658041321 411214427 /nfs/dbraw/zinc/21/44/27/411214427.db2.gz XQMDLTPTBALWOZ-UXXRCYHCSA-N 1 0 219.372 3.509 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000658042281 411215923 /nfs/dbraw/zinc/21/59/23/411215923.db2.gz CACFLFRMHJJERM-CRWXNKLISA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCS[C@H]1C ZINC000658042282 411215524 /nfs/dbraw/zinc/21/55/24/411215524.db2.gz CACFLFRMHJJERM-DGAVXFQQSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCS[C@@H]1C ZINC000658042283 411215584 /nfs/dbraw/zinc/21/55/84/411215584.db2.gz CACFLFRMHJJERM-MQYQWHSLSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCS[C@@H]1C ZINC000658042284 411215559 /nfs/dbraw/zinc/21/55/59/411215559.db2.gz CACFLFRMHJJERM-SYQHCUMBSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCCCCC[NH2+]C1CCC(OCC)CC1 ZINC000658047996 411218238 /nfs/dbraw/zinc/21/82/38/411218238.db2.gz UIFRRNPKMSLVRS-UHFFFAOYSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCCSCC1 ZINC000658048670 411218659 /nfs/dbraw/zinc/21/86/59/411218659.db2.gz WSPXVAYZHXNMOX-CYBMUJFWSA-N 1 0 227.417 3.608 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCCSCC1 ZINC000658048671 411218031 /nfs/dbraw/zinc/21/80/31/411218031.db2.gz WSPXVAYZHXNMOX-ZDUSSCGKSA-N 1 0 227.417 3.608 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCC1CC(OC)C1 ZINC000658055454 411222216 /nfs/dbraw/zinc/22/22/16/411222216.db2.gz KKLKCPWGOKOIHS-SHARSMKWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCC1CC(OC)C1 ZINC000658055456 411222229 /nfs/dbraw/zinc/22/22/29/411222229.db2.gz KKLKCPWGOKOIHS-SLTAFYQDSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1c[nH]nc1C ZINC000658058235 411225299 /nfs/dbraw/zinc/22/52/99/411225299.db2.gz ABONOWVLIVHQLW-KYOSRNDESA-N 1 0 247.386 3.504 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1c[nH]nc1C ZINC000658058237 411225439 /nfs/dbraw/zinc/22/54/39/411225439.db2.gz ABONOWVLIVHQLW-LNSITVRQSA-N 1 0 247.386 3.504 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1c[nH]nc1C ZINC000658058239 411225891 /nfs/dbraw/zinc/22/58/91/411225891.db2.gz ABONOWVLIVHQLW-NJZAAPMLSA-N 1 0 247.386 3.504 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1c[nH]nc1C ZINC000658058240 411224850 /nfs/dbraw/zinc/22/48/50/411224850.db2.gz ABONOWVLIVHQLW-UXIGCNINSA-N 1 0 247.386 3.504 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccn1 ZINC000658059867 411227249 /nfs/dbraw/zinc/22/72/49/411227249.db2.gz KQHNRHNXZSMPSP-FMKPAKJESA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccn1 ZINC000658059868 411226425 /nfs/dbraw/zinc/22/64/25/411226425.db2.gz KQHNRHNXZSMPSP-IIAWOOMASA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000658059869 411227039 /nfs/dbraw/zinc/22/70/39/411227039.db2.gz KQHNRHNXZSMPSP-LZWOXQAQSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000658059870 411227065 /nfs/dbraw/zinc/22/70/65/411227065.db2.gz KQHNRHNXZSMPSP-SQWLQELKSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCCOC ZINC000658059894 411226672 /nfs/dbraw/zinc/22/66/72/411226672.db2.gz LFDWNKNFIXRHHY-KFWWJZLASA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCCOC ZINC000658059895 411226996 /nfs/dbraw/zinc/22/69/96/411226996.db2.gz LFDWNKNFIXRHHY-RBSFLKMASA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCCOC ZINC000658059896 411226323 /nfs/dbraw/zinc/22/63/23/411226323.db2.gz LFDWNKNFIXRHHY-RRFJBIMHSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCCOC ZINC000658059897 411226836 /nfs/dbraw/zinc/22/68/36/411226836.db2.gz LFDWNKNFIXRHHY-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccncc1 ZINC000658059965 411227311 /nfs/dbraw/zinc/22/73/11/411227311.db2.gz MLTZRSNVMKGLPH-BMFZPTHFSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccncc1 ZINC000658059967 411227154 /nfs/dbraw/zinc/22/71/54/411227154.db2.gz MLTZRSNVMKGLPH-FVQBIDKESA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000658060305 411226340 /nfs/dbraw/zinc/22/63/40/411226340.db2.gz MLTZRSNVMKGLPH-IMJJTQAJSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000658060307 411226578 /nfs/dbraw/zinc/22/65/78/411226578.db2.gz MLTZRSNVMKGLPH-NUEKZKHPSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccnc1 ZINC000658060324 411226871 /nfs/dbraw/zinc/22/68/71/411226871.db2.gz MSCHDWCNJFIQEV-FMKPAKJESA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccnc1 ZINC000658060325 411227355 /nfs/dbraw/zinc/22/73/55/411227355.db2.gz MSCHDWCNJFIQEV-IIAWOOMASA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000658060326 411226349 /nfs/dbraw/zinc/22/63/49/411226349.db2.gz MSCHDWCNJFIQEV-LZWOXQAQSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000658060327 411227003 /nfs/dbraw/zinc/22/70/03/411227003.db2.gz MSCHDWCNJFIQEV-SQWLQELKSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCC1CC(OC)C1 ZINC000658060764 411227009 /nfs/dbraw/zinc/22/70/09/411227009.db2.gz QATRRYXDLZGMNW-NFOMZHRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCC1CC(OC)C1 ZINC000658060765 411227182 /nfs/dbraw/zinc/22/71/82/411227182.db2.gz QATRRYXDLZGMNW-WLYUNCDWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000658061328 411228355 /nfs/dbraw/zinc/22/83/55/411228355.db2.gz SWVOZPDPDFBMMG-BFHYXJOUSA-N 1 0 248.370 3.769 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000658061334 411228447 /nfs/dbraw/zinc/22/84/47/411228447.db2.gz SWVOZPDPDFBMMG-MCIONIFRSA-N 1 0 248.370 3.769 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000658061344 411228378 /nfs/dbraw/zinc/22/83/78/411228378.db2.gz SWVOZPDPDFBMMG-MGPQQGTHSA-N 1 0 248.370 3.769 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000658061350 411228102 /nfs/dbraw/zinc/22/81/02/411228102.db2.gz SWVOZPDPDFBMMG-MJBXVCDLSA-N 1 0 248.370 3.769 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](C)c1ccccn1)C1CC1 ZINC000658061682 411228048 /nfs/dbraw/zinc/22/80/48/411228048.db2.gz CEUCIQVYTWDWEA-BBRMVZONSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](C)c1ccccn1)C1CC1 ZINC000658061684 411227980 /nfs/dbraw/zinc/22/79/80/411227980.db2.gz CEUCIQVYTWDWEA-CJNGLKHVSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)C1CC1 ZINC000658061686 411228368 /nfs/dbraw/zinc/22/83/68/411228368.db2.gz CEUCIQVYTWDWEA-CZUORRHYSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](C)c1ccccn1)C1CC1 ZINC000658061688 411228401 /nfs/dbraw/zinc/22/84/01/411228401.db2.gz CEUCIQVYTWDWEA-XJKSGUPXSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658064572 411230368 /nfs/dbraw/zinc/23/03/68/411230368.db2.gz PUOKOYOVKLUCHJ-CABCVRRESA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658064573 411230423 /nfs/dbraw/zinc/23/04/23/411230423.db2.gz PUOKOYOVKLUCHJ-GJZGRUSLSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658064575 411230247 /nfs/dbraw/zinc/23/02/47/411230247.db2.gz PUOKOYOVKLUCHJ-HUUCEWRRSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658064576 411230152 /nfs/dbraw/zinc/23/01/52/411230152.db2.gz PUOKOYOVKLUCHJ-LSDHHAIUSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658064739 411230413 /nfs/dbraw/zinc/23/04/13/411230413.db2.gz QQOHABXDODVELT-KBPBESRZSA-N 1 0 232.371 3.520 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658064740 411230293 /nfs/dbraw/zinc/23/02/93/411230293.db2.gz QQOHABXDODVELT-KGLIPLIRSA-N 1 0 232.371 3.520 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](C)c1ccccn1 ZINC000658064741 411230471 /nfs/dbraw/zinc/23/04/71/411230471.db2.gz QQOHABXDODVELT-UONOGXRCSA-N 1 0 232.371 3.520 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658064742 411230519 /nfs/dbraw/zinc/23/05/19/411230519.db2.gz QQOHABXDODVELT-ZIAGYGMSSA-N 1 0 232.371 3.520 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658066095 411230450 /nfs/dbraw/zinc/23/04/50/411230450.db2.gz HVAZRKMKNPPQDO-CABCVRRESA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658066096 411230475 /nfs/dbraw/zinc/23/04/75/411230475.db2.gz HVAZRKMKNPPQDO-GJZGRUSLSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658066097 411230428 /nfs/dbraw/zinc/23/04/28/411230428.db2.gz HVAZRKMKNPPQDO-HUUCEWRRSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658066098 411230497 /nfs/dbraw/zinc/23/04/97/411230497.db2.gz HVAZRKMKNPPQDO-LSDHHAIUSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCCC1(C[NH2+][C@@H]2CCSC2)CCCC1 ZINC000658096725 411244952 /nfs/dbraw/zinc/24/49/52/411244952.db2.gz QPQUQUSOMQMTHW-CYBMUJFWSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCCC1(C[NH2+][C@H]2CCSC2)CCCC1 ZINC000658096726 411244492 /nfs/dbraw/zinc/24/44/92/411244492.db2.gz QPQUQUSOMQMTHW-ZDUSSCGKSA-N 1 0 239.428 3.608 20 30 BHEDRO C=CCCC1(C[NH2+][C@H](C)c2cn[nH]c2)CCCC1 ZINC000658099032 411244384 /nfs/dbraw/zinc/24/43/84/411244384.db2.gz UTSACPBBLHFOSS-CYBMUJFWSA-N 1 0 247.386 3.587 20 30 BHEDRO C=CCCC1(C[NH2+][C@@H](C)c2cn[nH]c2)CCCC1 ZINC000658099033 411244858 /nfs/dbraw/zinc/24/48/58/411244858.db2.gz UTSACPBBLHFOSS-ZDUSSCGKSA-N 1 0 247.386 3.587 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000658112880 411247057 /nfs/dbraw/zinc/24/70/57/411247057.db2.gz AFIJHUWXBNTHHB-AWEZNQCLSA-N 1 0 219.328 3.595 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000658112881 411247427 /nfs/dbraw/zinc/24/74/27/411247427.db2.gz AFIJHUWXBNTHHB-CQSZACIVSA-N 1 0 219.328 3.595 20 30 BHEDRO C=CCC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000658112930 411247229 /nfs/dbraw/zinc/24/72/29/411247229.db2.gz BDUSECUEQIWJIY-CMPLNLGQSA-N 1 0 221.369 3.852 20 30 BHEDRO C=CCC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000658112935 411247468 /nfs/dbraw/zinc/24/74/68/411247468.db2.gz BDUSECUEQIWJIY-JQWIXIFHSA-N 1 0 221.369 3.852 20 30 BHEDRO C=CCC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000658112937 411247603 /nfs/dbraw/zinc/24/76/03/411247603.db2.gz BDUSECUEQIWJIY-PWSUYJOCSA-N 1 0 221.369 3.852 20 30 BHEDRO C=CCC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000658112939 411247610 /nfs/dbraw/zinc/24/76/10/411247610.db2.gz BDUSECUEQIWJIY-ZYHUDNBSSA-N 1 0 221.369 3.852 20 30 BHEDRO C=CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000658112990 411246988 /nfs/dbraw/zinc/24/69/88/411246988.db2.gz CDUOBOIBJLXPES-CABCVRRESA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000658112992 411247288 /nfs/dbraw/zinc/24/72/88/411247288.db2.gz CDUOBOIBJLXPES-GJZGRUSLSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000658112993 411247001 /nfs/dbraw/zinc/24/70/01/411247001.db2.gz CDUOBOIBJLXPES-HUUCEWRRSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000658112994 411247025 /nfs/dbraw/zinc/24/70/25/411247025.db2.gz CDUOBOIBJLXPES-LSDHHAIUSA-N 1 0 229.367 3.734 20 30 BHEDRO C=CCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000658113657 487544793 /nfs/dbraw/zinc/54/47/93/487544793.db2.gz IETWNKYABZIROG-CVEARBPZSA-N 1 0 229.367 3.663 20 30 BHEDRO C=CCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000658113658 487544731 /nfs/dbraw/zinc/54/47/31/487544731.db2.gz IETWNKYABZIROG-HOTGVXAUSA-N 1 0 229.367 3.663 20 30 BHEDRO C=CCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000658113659 487544389 /nfs/dbraw/zinc/54/43/89/487544389.db2.gz IETWNKYABZIROG-HZPDHXFCSA-N 1 0 229.367 3.663 20 30 BHEDRO C=CCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000658113660 487544523 /nfs/dbraw/zinc/54/45/23/487544523.db2.gz IETWNKYABZIROG-JKSUJKDBSA-N 1 0 229.367 3.663 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000658113669 487544771 /nfs/dbraw/zinc/54/47/71/487544771.db2.gz IGHRKWQSPCEADE-JTQLQIEISA-N 1 0 232.352 3.523 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000658113671 487544850 /nfs/dbraw/zinc/54/48/50/487544850.db2.gz IGHRKWQSPCEADE-SNVBAGLBSA-N 1 0 232.352 3.523 20 30 BHEDRO C=CCC[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000658113900 487546188 /nfs/dbraw/zinc/54/61/88/487546188.db2.gz JHYNZEGKVAZMMK-HNNXBMFYSA-N 1 0 245.366 3.583 20 30 BHEDRO C=CCC[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000658113902 487546518 /nfs/dbraw/zinc/54/65/18/487546518.db2.gz JHYNZEGKVAZMMK-OAHLLOKOSA-N 1 0 245.366 3.583 20 30 BHEDRO C=CCC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000658113904 487546113 /nfs/dbraw/zinc/54/61/13/487546113.db2.gz JLPXXWWKYVTRGI-GFCCVEGCSA-N 1 0 229.323 3.530 20 30 BHEDRO C=CCC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000658113910 487546553 /nfs/dbraw/zinc/54/65/53/487546553.db2.gz JLPXXWWKYVTRGI-LBPRGKRZSA-N 1 0 229.323 3.530 20 30 BHEDRO C=CCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000658113916 487546341 /nfs/dbraw/zinc/54/63/41/487546341.db2.gz JOFHWMDKEWPBNY-CABCVRRESA-N 1 0 244.382 3.582 20 30 BHEDRO C=CCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000658113918 487546501 /nfs/dbraw/zinc/54/65/01/487546501.db2.gz JOFHWMDKEWPBNY-GJZGRUSLSA-N 1 0 244.382 3.582 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000658113920 487546255 /nfs/dbraw/zinc/54/62/55/487546255.db2.gz JOFHWMDKEWPBNY-HUUCEWRRSA-N 1 0 244.382 3.582 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000658113922 487546265 /nfs/dbraw/zinc/54/62/65/487546265.db2.gz JOFHWMDKEWPBNY-LSDHHAIUSA-N 1 0 244.382 3.582 20 30 BHEDRO C=CCC[NH2+][C@H](CCC)c1ccsc1 ZINC000658113978 487546373 /nfs/dbraw/zinc/54/63/73/487546373.db2.gz KAIUGMPGZQGBKL-GFCCVEGCSA-N 1 0 209.358 3.755 20 30 BHEDRO C=CCC[NH2+][C@@H](CCC)c1ccsc1 ZINC000658113979 487546011 /nfs/dbraw/zinc/54/60/11/487546011.db2.gz KAIUGMPGZQGBKL-LBPRGKRZSA-N 1 0 209.358 3.755 20 30 BHEDRO C=CCC[NH2+][C@H](C)Cc1ccccc1SC ZINC000658114781 487547678 /nfs/dbraw/zinc/54/76/78/487547678.db2.gz QXXCHRCBRGMVAQ-GFCCVEGCSA-N 1 0 235.396 3.505 20 30 BHEDRO C=CCC[NH2+][C@@H](C)Cc1ccccc1SC ZINC000658114782 487547835 /nfs/dbraw/zinc/54/78/35/487547835.db2.gz QXXCHRCBRGMVAQ-LBPRGKRZSA-N 1 0 235.396 3.505 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000658114946 487547694 /nfs/dbraw/zinc/54/76/94/487547694.db2.gz SPMJZZOJGDJBTR-GFCCVEGCSA-N 1 0 229.323 3.968 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000658114949 487548010 /nfs/dbraw/zinc/54/80/10/487548010.db2.gz SPMJZZOJGDJBTR-LBPRGKRZSA-N 1 0 229.323 3.968 20 30 BHEDRO C=CCC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000658115367 487548895 /nfs/dbraw/zinc/54/88/95/487548895.db2.gz BLPNRNXABVOGAC-HNNXBMFYSA-N 1 0 245.366 3.683 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000658115370 487549208 /nfs/dbraw/zinc/54/92/08/487549208.db2.gz BLPNRNXABVOGAC-OAHLLOKOSA-N 1 0 245.366 3.683 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000658115419 487548854 /nfs/dbraw/zinc/54/88/54/487548854.db2.gz VMWHQOMSTLKVRP-JTQLQIEISA-N 1 0 239.746 3.575 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000658115421 487549249 /nfs/dbraw/zinc/54/92/49/487549249.db2.gz VMWHQOMSTLKVRP-SNVBAGLBSA-N 1 0 239.746 3.575 20 30 BHEDRO C=CCC[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000658115803 411248826 /nfs/dbraw/zinc/24/88/26/411248826.db2.gz DKHIOTPZNNWNGV-HNNXBMFYSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCC[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000658115806 411248956 /nfs/dbraw/zinc/24/89/56/411248956.db2.gz DKHIOTPZNNWNGV-OAHLLOKOSA-N 1 0 233.355 3.702 20 30 BHEDRO C=CCC[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000658115952 411249099 /nfs/dbraw/zinc/24/90/99/411249099.db2.gz FWQSTEAFJYNKQS-JTQLQIEISA-N 1 0 243.803 3.888 20 30 BHEDRO C=CCC[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000658115955 411249151 /nfs/dbraw/zinc/24/91/51/411249151.db2.gz FWQSTEAFJYNKQS-SNVBAGLBSA-N 1 0 243.803 3.888 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000658116048 411249225 /nfs/dbraw/zinc/24/92/25/411249225.db2.gz YJEHXUXTNCJRIQ-LLVKDONJSA-N 1 0 239.721 3.632 20 30 BHEDRO C=CCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000658116054 411249257 /nfs/dbraw/zinc/24/92/57/411249257.db2.gz YJEHXUXTNCJRIQ-NSHDSACASA-N 1 0 239.721 3.632 20 30 BHEDRO C=CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000658116121 411248994 /nfs/dbraw/zinc/24/89/94/411248994.db2.gz ZEJPQBGOUAYSEI-JTQLQIEISA-N 1 0 241.737 3.576 20 30 BHEDRO C=CCC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000658116123 411249108 /nfs/dbraw/zinc/24/91/08/411249108.db2.gz ZEJPQBGOUAYSEI-SNVBAGLBSA-N 1 0 241.737 3.576 20 30 BHEDRO C=CCC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000658116213 411249116 /nfs/dbraw/zinc/24/91/16/411249116.db2.gz ZRNYUJJCPHWFDU-INIZCTEOSA-N 1 0 245.341 3.927 20 30 BHEDRO C=CCC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000658116216 411249042 /nfs/dbraw/zinc/24/90/42/411249042.db2.gz ZRNYUJJCPHWFDU-MRXNPFEDSA-N 1 0 245.341 3.927 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000658116343 411248798 /nfs/dbraw/zinc/24/87/98/411248798.db2.gz JGKDBOOHHPVTCH-JTQLQIEISA-N 1 0 239.359 3.774 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000658116344 411248991 /nfs/dbraw/zinc/24/89/91/411248991.db2.gz JGKDBOOHHPVTCH-SNVBAGLBSA-N 1 0 239.359 3.774 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000658116664 411248802 /nfs/dbraw/zinc/24/88/02/411248802.db2.gz MWKVWSDLRPYGQH-JTQLQIEISA-N 1 0 238.400 3.802 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000658116665 411249070 /nfs/dbraw/zinc/24/90/70/411249070.db2.gz MWKVWSDLRPYGQH-SNVBAGLBSA-N 1 0 238.400 3.802 20 30 BHEDRO C=CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000658116670 411248814 /nfs/dbraw/zinc/24/88/14/411248814.db2.gz NCUSKOLJAKXJQP-AWEZNQCLSA-N 1 0 243.350 3.599 20 30 BHEDRO C=CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000658116671 411249379 /nfs/dbraw/zinc/24/93/79/411249379.db2.gz NCUSKOLJAKXJQP-CQSZACIVSA-N 1 0 243.350 3.599 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000658116719 411248985 /nfs/dbraw/zinc/24/89/85/411248985.db2.gz NWKSBGNFLCWFOI-AWEZNQCLSA-N 1 0 233.355 3.620 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000658116720 411249062 /nfs/dbraw/zinc/24/90/62/411249062.db2.gz NWKSBGNFLCWFOI-CQSZACIVSA-N 1 0 233.355 3.620 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000658117360 411250107 /nfs/dbraw/zinc/25/01/07/411250107.db2.gz UUVZVEPNOMOCPS-JTQLQIEISA-N 1 0 239.746 3.575 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000658117361 411249928 /nfs/dbraw/zinc/24/99/28/411249928.db2.gz UUVZVEPNOMOCPS-SNVBAGLBSA-N 1 0 239.746 3.575 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000658117564 411250343 /nfs/dbraw/zinc/25/03/43/411250343.db2.gz XFDFPYCFBMDUAO-GFCCVEGCSA-N 1 0 237.343 3.528 20 30 BHEDRO C=CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000658117565 411250459 /nfs/dbraw/zinc/25/04/59/411250459.db2.gz XFDFPYCFBMDUAO-LBPRGKRZSA-N 1 0 237.343 3.528 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1cnccc1C ZINC000658122226 411251731 /nfs/dbraw/zinc/25/17/31/411251731.db2.gz FDEANSZNMOVUKN-HNNXBMFYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cnccc1C ZINC000658122227 411251745 /nfs/dbraw/zinc/25/17/45/411251745.db2.gz FDEANSZNMOVUKN-OAHLLOKOSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCc1cnccc1C ZINC000658125177 411252551 /nfs/dbraw/zinc/25/25/51/411252551.db2.gz GSPMXJFDXPQCMR-INIZCTEOSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCc1cnccc1C ZINC000658125180 411252186 /nfs/dbraw/zinc/25/21/86/411252186.db2.gz GSPMXJFDXPQCMR-MRXNPFEDSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cscn1 ZINC000658153399 411268068 /nfs/dbraw/zinc/26/80/68/411268068.db2.gz ZKUFHMBGGJETIO-GHMZBOCLSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1cscn1 ZINC000658153400 411268353 /nfs/dbraw/zinc/26/83/53/411268353.db2.gz ZKUFHMBGGJETIO-MNOVXSKESA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cscn1 ZINC000658153401 411268432 /nfs/dbraw/zinc/26/84/32/411268432.db2.gz ZKUFHMBGGJETIO-QWRGUYRKSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cscn1 ZINC000658153402 411268393 /nfs/dbraw/zinc/26/83/93/411268393.db2.gz ZKUFHMBGGJETIO-WDEREUQCSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658165265 411277117 /nfs/dbraw/zinc/27/71/17/411277117.db2.gz KGOKSLXJFMSQIX-DVOMOZLQSA-N 1 0 229.367 3.659 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658165481 411277262 /nfs/dbraw/zinc/27/72/62/411277262.db2.gz KGOKSLXJFMSQIX-HEHGZKQESA-N 1 0 229.367 3.659 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCCOC(C)(C)C ZINC000658184465 411284623 /nfs/dbraw/zinc/28/46/23/411284623.db2.gz HZPUPIHSPNPUKM-CYBMUJFWSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCCOC(C)(C)C ZINC000658184466 411284409 /nfs/dbraw/zinc/28/44/09/411284409.db2.gz HZPUPIHSPNPUKM-ZDUSSCGKSA-N 1 0 227.392 3.526 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCOC(C)(C)C)C1CC1 ZINC000658187605 411284428 /nfs/dbraw/zinc/28/44/28/411284428.db2.gz XLDNHEHLNITUPY-AWEZNQCLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCOC(C)(C)C)C1CC1 ZINC000658187606 411284306 /nfs/dbraw/zinc/28/43/06/411284306.db2.gz XLDNHEHLNITUPY-CQSZACIVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCC(C)(C)F ZINC000658191068 411287005 /nfs/dbraw/zinc/28/70/05/411287005.db2.gz JLSZCYVCFIMLKM-GFCCVEGCSA-N 1 0 215.356 3.849 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCC(C)(C)F ZINC000658191070 411287115 /nfs/dbraw/zinc/28/71/15/411287115.db2.gz JLSZCYVCFIMLKM-LBPRGKRZSA-N 1 0 215.356 3.849 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCC(C)(C)F ZINC000658192265 411287568 /nfs/dbraw/zinc/28/75/68/411287568.db2.gz DTIZCMLXNVKTPE-GFCCVEGCSA-N 1 0 215.356 3.849 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCC(C)(C)F ZINC000658192266 411287693 /nfs/dbraw/zinc/28/76/93/411287693.db2.gz DTIZCMLXNVKTPE-LBPRGKRZSA-N 1 0 215.356 3.849 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCc1ccoc1 ZINC000658198075 411290149 /nfs/dbraw/zinc/29/01/49/411290149.db2.gz INMITKUHHHMUJG-AWEZNQCLSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCc1ccoc1 ZINC000658198076 411290511 /nfs/dbraw/zinc/29/05/11/411290511.db2.gz INMITKUHHHMUJG-CQSZACIVSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000658199005 411290110 /nfs/dbraw/zinc/29/01/10/411290110.db2.gz LCEDHOFXMXRBPZ-CABCVRRESA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000658199008 411290225 /nfs/dbraw/zinc/29/02/25/411290225.db2.gz LCEDHOFXMXRBPZ-GJZGRUSLSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccoc1 ZINC000658199010 411290577 /nfs/dbraw/zinc/29/05/77/411290577.db2.gz LCEDHOFXMXRBPZ-HUUCEWRRSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccoc1 ZINC000658199012 411290138 /nfs/dbraw/zinc/29/01/38/411290138.db2.gz LCEDHOFXMXRBPZ-LSDHHAIUSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CCC[C@H]([NH2+]CCc1ccoc1)c1ccco1 ZINC000658200323 411290986 /nfs/dbraw/zinc/29/09/86/411290986.db2.gz MZKFTQDVYCAAGP-AWEZNQCLSA-N 1 0 245.322 3.712 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCc1ccoc1)c1ccco1 ZINC000658200325 411291512 /nfs/dbraw/zinc/29/15/12/411291512.db2.gz MZKFTQDVYCAAGP-CQSZACIVSA-N 1 0 245.322 3.712 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccoc1 ZINC000658200393 411291077 /nfs/dbraw/zinc/29/10/77/411291077.db2.gz PBJKTPIRFJVUHK-CYBMUJFWSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccoc1 ZINC000658200397 411290858 /nfs/dbraw/zinc/29/08/58/411290858.db2.gz PBJKTPIRFJVUHK-ZDUSSCGKSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000658208115 411294483 /nfs/dbraw/zinc/29/44/83/411294483.db2.gz XQHYLVKHXKJCCA-INIZCTEOSA-N 1 0 247.382 3.628 20 30 BHEDRO C=CCOCCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000658208116 411294614 /nfs/dbraw/zinc/29/46/14/411294614.db2.gz XQHYLVKHXKJCCA-MRXNPFEDSA-N 1 0 247.382 3.628 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658219705 411299409 /nfs/dbraw/zinc/29/94/09/411299409.db2.gz OBEHISLGUXQIRJ-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219706 411299749 /nfs/dbraw/zinc/29/97/49/411299749.db2.gz OBEHISLGUXQIRJ-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658219707 411299498 /nfs/dbraw/zinc/29/94/98/411299498.db2.gz OBEHISLGUXQIRJ-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658219708 411299640 /nfs/dbraw/zinc/29/96/40/411299640.db2.gz OBEHISLGUXQIRJ-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658221346 411301196 /nfs/dbraw/zinc/30/11/96/411301196.db2.gz LHMNZHAVCKHUIZ-AGIUHOORSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221347 411300920 /nfs/dbraw/zinc/30/09/20/411300920.db2.gz LHMNZHAVCKHUIZ-FRRDWIJNSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221348 411301003 /nfs/dbraw/zinc/30/10/03/411301003.db2.gz LHMNZHAVCKHUIZ-JHJVBQTASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658221349 411300846 /nfs/dbraw/zinc/30/08/46/411300846.db2.gz LHMNZHAVCKHUIZ-UPJWGTAASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658222268 411301808 /nfs/dbraw/zinc/30/18/08/411301808.db2.gz QJABRJIRJPEBCR-QJPTWQEYSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658222269 411301809 /nfs/dbraw/zinc/30/18/09/411301809.db2.gz QJABRJIRJPEBCR-SDDRHHMPSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658222271 411301868 /nfs/dbraw/zinc/30/18/68/411301868.db2.gz QJABRJIRJPEBCR-SRVKXCTJSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658222273 411302477 /nfs/dbraw/zinc/30/24/77/411302477.db2.gz QJABRJIRJPEBCR-TUAOUCFPSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CC1 ZINC000658223503 411302668 /nfs/dbraw/zinc/30/26/68/411302668.db2.gz UIJAVAWPXGQBLI-CHWSQXEVSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CC1 ZINC000658223504 411303186 /nfs/dbraw/zinc/30/31/86/411303186.db2.gz UIJAVAWPXGQBLI-OLZOCXBDSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CC1 ZINC000658223506 411302849 /nfs/dbraw/zinc/30/28/49/411302849.db2.gz UIJAVAWPXGQBLI-QWHCGFSZSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CC1 ZINC000658223507 411302943 /nfs/dbraw/zinc/30/29/43/411302943.db2.gz UIJAVAWPXGQBLI-STQMWFEESA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224099 411303113 /nfs/dbraw/zinc/30/31/13/411303113.db2.gz WISOZFCBWWWWQE-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224100 411303244 /nfs/dbraw/zinc/30/32/44/411303244.db2.gz WISOZFCBWWWWQE-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658224101 411302925 /nfs/dbraw/zinc/30/29/25/411302925.db2.gz WISOZFCBWWWWQE-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658224102 411302767 /nfs/dbraw/zinc/30/27/67/411302767.db2.gz WISOZFCBWWWWQE-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658225592 411304630 /nfs/dbraw/zinc/30/46/30/411304630.db2.gz ZRTDTBWBCRNZFD-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658225593 411304853 /nfs/dbraw/zinc/30/48/53/411304853.db2.gz ZRTDTBWBCRNZFD-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658225594 411304607 /nfs/dbraw/zinc/30/46/07/411304607.db2.gz ZRTDTBWBCRNZFD-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658225595 411304392 /nfs/dbraw/zinc/30/43/92/411304392.db2.gz ZRTDTBWBCRNZFD-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC)C2CC2)C1 ZINC000658232999 411305265 /nfs/dbraw/zinc/30/52/65/411305265.db2.gz JNHVMVQNROSKKV-BNOWGMLFSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)C2CC2)C1 ZINC000658233253 411305229 /nfs/dbraw/zinc/30/52/29/411305229.db2.gz JNHVMVQNROSKKV-KWCYVHTRSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CC)C2CC2)C1 ZINC000658233254 411305440 /nfs/dbraw/zinc/30/54/40/411305440.db2.gz JNHVMVQNROSKKV-MRVWCRGKSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)C2CC2)C1 ZINC000658233256 411305233 /nfs/dbraw/zinc/30/52/33/411305233.db2.gz JNHVMVQNROSKKV-XBFCOCLRSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658237208 411305956 /nfs/dbraw/zinc/30/59/56/411305956.db2.gz CKPGLCQYVDGQRN-HWWQOWPSSA-N 1 0 245.366 3.570 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658237209 411306272 /nfs/dbraw/zinc/30/62/72/411306272.db2.gz CKPGLCQYVDGQRN-MKBNYLNASA-N 1 0 245.366 3.570 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658237210 411305897 /nfs/dbraw/zinc/30/58/97/411305897.db2.gz CKPGLCQYVDGQRN-MQIPJXDCSA-N 1 0 245.366 3.570 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658237211 411305996 /nfs/dbraw/zinc/30/59/96/411305996.db2.gz CKPGLCQYVDGQRN-OZVIIMIRSA-N 1 0 245.366 3.570 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238842 411308122 /nfs/dbraw/zinc/30/81/22/411308122.db2.gz LBALUXWGUXYLCE-BBRMVZONSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238843 411308150 /nfs/dbraw/zinc/30/81/50/411308150.db2.gz LBALUXWGUXYLCE-CJNGLKHVSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238844 411308236 /nfs/dbraw/zinc/30/82/36/411308236.db2.gz LBALUXWGUXYLCE-CZUORRHYSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238845 411308195 /nfs/dbraw/zinc/30/81/95/411308195.db2.gz LBALUXWGUXYLCE-XJKSGUPXSA-N 1 0 245.366 3.714 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658264297 411318907 /nfs/dbraw/zinc/31/89/07/411318907.db2.gz PXMHJPHGYPUDMO-FVQBIDKESA-N 1 0 229.367 3.877 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658264298 411319061 /nfs/dbraw/zinc/31/90/61/411319061.db2.gz PXMHJPHGYPUDMO-NUEKZKHPSA-N 1 0 229.367 3.877 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658266059 411318792 /nfs/dbraw/zinc/31/87/92/411318792.db2.gz RNDGMQWGLZRGCW-HIFPTAJRSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658266060 411318723 /nfs/dbraw/zinc/31/87/23/411318723.db2.gz RNDGMQWGLZRGCW-PNESKVBLSA-N 1 0 243.341 3.899 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658281550 411320714 /nfs/dbraw/zinc/32/07/14/411320714.db2.gz QGYWULHBERNVEY-GHMZBOCLSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658281551 411320391 /nfs/dbraw/zinc/32/03/91/411320391.db2.gz QGYWULHBERNVEY-MNOVXSKESA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658281552 411320343 /nfs/dbraw/zinc/32/03/43/411320343.db2.gz QGYWULHBERNVEY-QWRGUYRKSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658281553 411320377 /nfs/dbraw/zinc/32/03/77/411320377.db2.gz QGYWULHBERNVEY-WDEREUQCSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1CC1 ZINC000658282294 411321409 /nfs/dbraw/zinc/32/14/09/411321409.db2.gz SULYYJPWBTXORT-NEPJUHHUSA-N 1 0 243.341 3.612 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1CC1 ZINC000658282296 411321405 /nfs/dbraw/zinc/32/14/05/411321405.db2.gz SULYYJPWBTXORT-NWDGAFQWSA-N 1 0 243.341 3.612 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1CC1 ZINC000658282298 411321799 /nfs/dbraw/zinc/32/17/99/411321799.db2.gz SULYYJPWBTXORT-RYUDHWBXSA-N 1 0 243.341 3.612 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1CC1 ZINC000658282300 411321178 /nfs/dbraw/zinc/32/11/78/411321178.db2.gz SULYYJPWBTXORT-VXGBXAGGSA-N 1 0 243.341 3.612 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1=CCCC1)c1ccco1 ZINC000658290881 411324368 /nfs/dbraw/zinc/32/43/68/411324368.db2.gz HKZVODCBQRHEPF-AWEZNQCLSA-N 1 0 231.339 3.987 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1=CCCC1)c1ccco1 ZINC000658290883 411324395 /nfs/dbraw/zinc/32/43/95/411324395.db2.gz HKZVODCBQRHEPF-CQSZACIVSA-N 1 0 231.339 3.987 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658293094 411325147 /nfs/dbraw/zinc/32/51/47/411325147.db2.gz IVVCCFWQNQCBHL-FEPKRQSRSA-N 1 0 227.367 3.848 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000658293096 411325078 /nfs/dbraw/zinc/32/50/78/411325078.db2.gz IVVCCFWQNQCBHL-IWMBGFJWSA-N 1 0 227.367 3.848 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000658293097 411324259 /nfs/dbraw/zinc/32/42/59/411324259.db2.gz IVVCCFWQNQCBHL-KBHBFKLGSA-N 1 0 227.367 3.848 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000658293098 411324948 /nfs/dbraw/zinc/32/49/48/411324948.db2.gz IVVCCFWQNQCBHL-MRFVTOPCSA-N 1 0 227.367 3.848 20 30 BHEDRO C=CCC[C@H]([NH2+]CCCc1ccco1)C1CC1 ZINC000658324961 411334868 /nfs/dbraw/zinc/33/48/68/411334868.db2.gz IGQOCSOFHZORET-HNNXBMFYSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CCC[C@@H]([NH2+]CCCc1ccco1)C1CC1 ZINC000658324962 411335175 /nfs/dbraw/zinc/33/51/75/411335175.db2.gz IGQOCSOFHZORET-OAHLLOKOSA-N 1 0 233.355 3.547 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCCc1ccco1 ZINC000658328065 411336251 /nfs/dbraw/zinc/33/62/51/411336251.db2.gz UEAWSJDZSLUSED-CYBMUJFWSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCCc1ccco1 ZINC000658328066 411336029 /nfs/dbraw/zinc/33/60/29/411336029.db2.gz UEAWSJDZSLUSED-ZDUSSCGKSA-N 1 0 221.344 3.547 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658332081 411339226 /nfs/dbraw/zinc/33/92/26/411339226.db2.gz QWXDDWKYAUEGNV-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658332082 411339869 /nfs/dbraw/zinc/33/98/69/411339869.db2.gz QWXDDWKYAUEGNV-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658332083 411339376 /nfs/dbraw/zinc/33/93/76/411339376.db2.gz QWXDDWKYAUEGNV-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000658332084 411339072 /nfs/dbraw/zinc/33/90/72/411339072.db2.gz QWXDDWKYAUEGNV-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658332650 411340369 /nfs/dbraw/zinc/34/03/69/411340369.db2.gz QTDVITRVZMTJCE-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCOC1(C)C ZINC000658332652 411340496 /nfs/dbraw/zinc/34/04/96/411340496.db2.gz QTDVITRVZMTJCE-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658332654 411341422 /nfs/dbraw/zinc/34/14/22/411341422.db2.gz QTDVITRVZMTJCE-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCOC1(C)C ZINC000658332656 411341521 /nfs/dbraw/zinc/34/15/21/411341521.db2.gz QTDVITRVZMTJCE-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(F)(F)C(C)(C)C ZINC000658337123 411344803 /nfs/dbraw/zinc/34/48/03/411344803.db2.gz OFRLWFIPXNHCJK-JTQLQIEISA-N 1 0 219.319 3.612 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(F)(F)C(C)(C)C ZINC000658337124 411344252 /nfs/dbraw/zinc/34/42/52/411344252.db2.gz OFRLWFIPXNHCJK-SNVBAGLBSA-N 1 0 219.319 3.612 20 30 BHEDRO C=C(C)C[N@@H+](CC)C[C@H](CC)CC(F)F ZINC000659829442 411466347 /nfs/dbraw/zinc/46/63/47/411466347.db2.gz RAASCWILMDXCEW-LLVKDONJSA-N 1 0 219.319 3.566 20 30 BHEDRO C=C(C)C[N@@H+](CC)C[C@@H](CC)CC(F)F ZINC000659829443 411466838 /nfs/dbraw/zinc/46/68/38/411466838.db2.gz RAASCWILMDXCEW-NSHDSACASA-N 1 0 219.319 3.566 20 30 BHEDRO C=C1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000659911994 411496698 /nfs/dbraw/zinc/49/66/98/411496698.db2.gz UKVJZBDUUIQTRO-UHFFFAOYSA-N 1 0 233.380 3.561 20 30 BHEDRO C=CC1CC[NH+](C[C@H](CC)CC(F)F)CC1 ZINC000659915054 411496325 /nfs/dbraw/zinc/49/63/25/411496325.db2.gz DLAQOJPIZWYEPH-GFCCVEGCSA-N 1 0 231.330 3.566 20 30 BHEDRO C=CC1CC[NH+](C[C@@H](CC)CC(F)F)CC1 ZINC000659915056 411496716 /nfs/dbraw/zinc/49/67/16/411496716.db2.gz DLAQOJPIZWYEPH-LBPRGKRZSA-N 1 0 231.330 3.566 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@H](CC)CC(F)F ZINC000659940684 411388440 /nfs/dbraw/zinc/38/84/40/411388440.db2.gz GYXKKEBRSADUIE-LLVKDONJSA-N 1 0 219.319 3.566 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@@H](CC)CC(F)F ZINC000659940685 411388151 /nfs/dbraw/zinc/38/81/51/411388151.db2.gz GYXKKEBRSADUIE-NSHDSACASA-N 1 0 219.319 3.566 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1nsc2ccccc21 ZINC000659941865 411505312 /nfs/dbraw/zinc/50/53/12/411505312.db2.gz RJBQHLSORHBPKY-UHFFFAOYSA-N 1 0 246.379 3.694 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000659945334 411390089 /nfs/dbraw/zinc/39/00/89/411390089.db2.gz AAHIVWLKVCCTNS-UHFFFAOYSA-N 1 0 248.370 3.730 20 30 BHEDRO C=CC[N@@H+](Cc1cccc(SC)c1)C1CC1 ZINC000660168744 487724849 /nfs/dbraw/zinc/72/48/49/487724849.db2.gz ADUOXBZBNUSMLQ-UHFFFAOYSA-N 1 0 233.380 3.559 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2coc(C)n2)CCCC1(C)C ZINC000660423798 411583509 /nfs/dbraw/zinc/58/35/09/411583509.db2.gz WUQIIRWXECOOFY-AWEZNQCLSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2coc(C)n2)CCCC1(C)C ZINC000660423799 411583759 /nfs/dbraw/zinc/58/37/59/411583759.db2.gz WUQIIRWXECOOFY-CQSZACIVSA-N 1 0 248.370 3.550 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1C[C@H](CC)CC(F)F ZINC000660428807 411583662 /nfs/dbraw/zinc/58/36/62/411583662.db2.gz GZKJYHSKLFKZHN-NEPJUHHUSA-N 1 0 231.330 3.708 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](CC)CC(F)F ZINC000660428809 411583522 /nfs/dbraw/zinc/58/35/22/411583522.db2.gz GZKJYHSKLFKZHN-NWDGAFQWSA-N 1 0 231.330 3.708 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H](CC)CC(F)F ZINC000660428811 411583338 /nfs/dbraw/zinc/58/33/38/411583338.db2.gz GZKJYHSKLFKZHN-RYUDHWBXSA-N 1 0 231.330 3.708 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](CC)CC(F)F ZINC000660428812 411583755 /nfs/dbraw/zinc/58/37/55/411583755.db2.gz GZKJYHSKLFKZHN-VXGBXAGGSA-N 1 0 231.330 3.708 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625911 411609249 /nfs/dbraw/zinc/60/92/49/411609249.db2.gz LLIXPJBAZVBRIT-HNNXBMFYSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCCCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625913 411608635 /nfs/dbraw/zinc/60/86/35/411608635.db2.gz LLIXPJBAZVBRIT-OAHLLOKOSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccn1 ZINC000661113774 411712333 /nfs/dbraw/zinc/71/23/33/411712333.db2.gz AOCPARWLEYTHDN-GDBMZVCRSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccn1 ZINC000661113779 411713204 /nfs/dbraw/zinc/71/32/04/411713204.db2.gz AOCPARWLEYTHDN-GOEBONIOSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccn1 ZINC000661113781 411712975 /nfs/dbraw/zinc/71/29/75/411712975.db2.gz AOCPARWLEYTHDN-HOCLYGCPSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccn1 ZINC000661113782 411712958 /nfs/dbraw/zinc/71/29/58/411712958.db2.gz AOCPARWLEYTHDN-ZBFHGGJFSA-N 1 0 244.382 3.615 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCCF ZINC000661114398 411713036 /nfs/dbraw/zinc/71/30/36/411713036.db2.gz GPBCJGMRVBKOTB-KBPBESRZSA-N 1 0 227.367 3.851 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCF ZINC000661114399 411712477 /nfs/dbraw/zinc/71/24/77/411712477.db2.gz GPBCJGMRVBKOTB-KGLIPLIRSA-N 1 0 227.367 3.851 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC000661114400 411713169 /nfs/dbraw/zinc/71/31/69/411713169.db2.gz GPBCJGMRVBKOTB-UONOGXRCSA-N 1 0 227.367 3.851 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC000661114401 411712350 /nfs/dbraw/zinc/71/23/50/411712350.db2.gz GPBCJGMRVBKOTB-ZIAGYGMSSA-N 1 0 227.367 3.851 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)OC ZINC000661114520 411712259 /nfs/dbraw/zinc/71/22/59/411712259.db2.gz ITSPUSNWSBUUDX-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)OC ZINC000661114521 411713026 /nfs/dbraw/zinc/71/30/26/411713026.db2.gz ITSPUSNWSBUUDX-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)OC ZINC000661114522 411711534 /nfs/dbraw/zinc/71/15/34/411711534.db2.gz ITSPUSNWSBUUDX-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)OC ZINC000661114523 411711806 /nfs/dbraw/zinc/71/18/06/411711806.db2.gz ITSPUSNWSBUUDX-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1oc(C)nc1C ZINC000661114788 411712841 /nfs/dbraw/zinc/71/28/41/411712841.db2.gz MJBCFCSOFVUVKB-KBPBESRZSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1oc(C)nc1C ZINC000661114789 411713019 /nfs/dbraw/zinc/71/30/19/411713019.db2.gz MJBCFCSOFVUVKB-KGLIPLIRSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1oc(C)nc1C ZINC000661114790 411713030 /nfs/dbraw/zinc/71/30/30/411713030.db2.gz MJBCFCSOFVUVKB-UONOGXRCSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1oc(C)nc1C ZINC000661114791 488041743 /nfs/dbraw/zinc/04/17/43/488041743.db2.gz MJBCFCSOFVUVKB-ZIAGYGMSSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)oc1C ZINC000661116193 411714326 /nfs/dbraw/zinc/71/43/26/411714326.db2.gz WVWRVRDWQYNFBD-KBPBESRZSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)oc1C ZINC000661116195 411714485 /nfs/dbraw/zinc/71/44/85/411714485.db2.gz WVWRVRDWQYNFBD-KGLIPLIRSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C)oc1C ZINC000661116197 411713663 /nfs/dbraw/zinc/71/36/63/411713663.db2.gz WVWRVRDWQYNFBD-UONOGXRCSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)oc1C ZINC000661116199 411713672 /nfs/dbraw/zinc/71/36/72/411713672.db2.gz WVWRVRDWQYNFBD-ZIAGYGMSSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000661118073 411713998 /nfs/dbraw/zinc/71/39/98/411713998.db2.gz WESGQUAXEQVCDP-KBPBESRZSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000661118074 411714216 /nfs/dbraw/zinc/71/42/16/411714216.db2.gz WESGQUAXEQVCDP-KGLIPLIRSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000661118075 411713686 /nfs/dbraw/zinc/71/36/86/411713686.db2.gz WESGQUAXEQVCDP-UONOGXRCSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000661118076 411714127 /nfs/dbraw/zinc/71/41/27/411714127.db2.gz WESGQUAXEQVCDP-ZIAGYGMSSA-N 1 0 248.370 3.516 20 30 BHEDRO C=CCC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661133109 410291362 /nfs/dbraw/zinc/29/13/62/410291362.db2.gz DWMADSIFBPZDPI-UHFFFAOYSA-N 1 0 223.385 3.925 20 30 BHEDRO C=CC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661136260 411716693 /nfs/dbraw/zinc/71/66/93/411716693.db2.gz QHTMEJLSEXALOZ-UHFFFAOYSA-N 1 0 209.358 3.535 20 30 BHEDRO CC#CCC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661136403 411717577 /nfs/dbraw/zinc/71/75/77/411717577.db2.gz QSCWPEVPJSSQQZ-UHFFFAOYSA-N 1 0 235.396 3.762 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cccc2ncccc12 ZINC000661138028 411717052 /nfs/dbraw/zinc/71/70/52/411717052.db2.gz VVLGJTXCKGEANV-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000661381524 411764590 /nfs/dbraw/zinc/76/45/90/411764590.db2.gz MQUVSINGJZCTMS-GFCCVEGCSA-N 1 0 221.369 3.536 20 30 BHEDRO C=CC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000661381525 411764149 /nfs/dbraw/zinc/76/41/49/411764149.db2.gz MQUVSINGJZCTMS-LBPRGKRZSA-N 1 0 221.369 3.536 20 30 BHEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000661384661 410600675 /nfs/dbraw/zinc/60/06/75/410600675.db2.gz KGNZGRWKLHNYQP-GFCCVEGCSA-N 1 0 221.369 3.536 20 30 BHEDRO C=CC[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000661384666 410599713 /nfs/dbraw/zinc/59/97/13/410599713.db2.gz KGNZGRWKLHNYQP-LBPRGKRZSA-N 1 0 221.369 3.536 20 30 BHEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000661385730 410603614 /nfs/dbraw/zinc/60/36/14/410603614.db2.gz PJWICNWVAIKJPZ-CHWSQXEVSA-N 1 0 243.341 3.710 20 30 BHEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000661385731 410602221 /nfs/dbraw/zinc/60/22/21/410602221.db2.gz PJWICNWVAIKJPZ-OLZOCXBDSA-N 1 0 243.341 3.710 20 30 BHEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000661385732 410601880 /nfs/dbraw/zinc/60/18/80/410601880.db2.gz PJWICNWVAIKJPZ-QWHCGFSZSA-N 1 0 243.341 3.710 20 30 BHEDRO C=CC[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000661385733 410602779 /nfs/dbraw/zinc/60/27/79/410602779.db2.gz PJWICNWVAIKJPZ-STQMWFEESA-N 1 0 243.341 3.710 20 30 BHEDRO C=CCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435563 487625597 /nfs/dbraw/zinc/62/55/97/487625597.db2.gz PHCQYHMKKQOVRL-AWEZNQCLSA-N 1 0 231.339 3.773 20 30 BHEDRO C=CCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435567 487626865 /nfs/dbraw/zinc/62/68/65/487626865.db2.gz PHCQYHMKKQOVRL-CQSZACIVSA-N 1 0 231.339 3.773 20 30 BHEDRO CC#CCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661437751 411776482 /nfs/dbraw/zinc/77/64/82/411776482.db2.gz OMKDUZYZOPTMGU-HNNXBMFYSA-N 1 0 243.350 3.610 20 30 BHEDRO CC#CCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661437752 411774936 /nfs/dbraw/zinc/77/49/36/411774936.db2.gz OMKDUZYZOPTMGU-OAHLLOKOSA-N 1 0 243.350 3.610 20 30 BHEDRO C=C(C)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661446778 411779775 /nfs/dbraw/zinc/77/97/75/411779775.db2.gz QUPUIIVECFUBHR-AWEZNQCLSA-N 1 0 231.339 3.773 20 30 BHEDRO C=C(C)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661446781 411779422 /nfs/dbraw/zinc/77/94/22/411779422.db2.gz QUPUIIVECFUBHR-CQSZACIVSA-N 1 0 231.339 3.773 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccccc1F)C(C)C ZINC000661484599 410694840 /nfs/dbraw/zinc/69/48/40/410694840.db2.gz LYYVRDCEHNKXKH-AWEZNQCLSA-N 1 0 221.319 3.689 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000661484611 410695296 /nfs/dbraw/zinc/69/52/96/410695296.db2.gz LYYVRDCEHNKXKH-CQSZACIVSA-N 1 0 221.319 3.689 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510493 411792337 /nfs/dbraw/zinc/79/23/37/411792337.db2.gz BRIVQBITEMJYBO-AWEZNQCLSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661510496 411791016 /nfs/dbraw/zinc/79/10/16/411791016.db2.gz BRIVQBITEMJYBO-CQSZACIVSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510787 411791279 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C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000662090962 411361042 /nfs/dbraw/zinc/36/10/42/411361042.db2.gz UYUOUXLNZAKALS-UPJWGTAASA-N 1 0 241.325 3.605 20 30 BHEDRO C=CCCC[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC000662109269 411987872 /nfs/dbraw/zinc/98/78/72/411987872.db2.gz JVLNDCLJLISPCN-UHFFFAOYSA-N 1 0 245.366 3.630 20 30 BHEDRO C=C(C)CC[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC000662110036 411988222 /nfs/dbraw/zinc/98/82/22/411988222.db2.gz ZXKUKKJEWPUWFH-UHFFFAOYSA-N 1 0 245.366 3.630 20 30 BHEDRO C=C(CC)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662330210 412104514 /nfs/dbraw/zinc/10/45/14/412104514.db2.gz CGMQUDQNZHOOFS-UHFFFAOYSA-N 1 0 227.351 3.574 20 30 BHEDRO C=C(C)CC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662332405 412106509 /nfs/dbraw/zinc/10/65/09/412106509.db2.gz PDVSIDBEDWLICQ-UHFFFAOYSA-N 1 0 227.351 3.574 20 30 BHEDRO C=CCCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662334286 412106839 /nfs/dbraw/zinc/10/68/39/412106839.db2.gz PAPKCZTWTOMUJG-UHFFFAOYSA-N 1 0 227.351 3.574 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663478840 411669028 /nfs/dbraw/zinc/66/90/28/411669028.db2.gz VZUUZTGZHHBMKT-JTQLQIEISA-N 1 0 237.309 3.909 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000663478841 411669384 /nfs/dbraw/zinc/66/93/84/411669384.db2.gz VZUUZTGZHHBMKT-SNVBAGLBSA-N 1 0 237.309 3.909 20 30 BHEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(C)c1Cl ZINC000664571384 411989529 /nfs/dbraw/zinc/98/95/29/411989529.db2.gz FQHCEUHWRRWDHR-TXEJJXNPSA-N 1 0 248.757 3.731 20 30 BHEDRO C=CCCCC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664818665 412025535 /nfs/dbraw/zinc/02/55/35/412025535.db2.gz IKKSXSYYSNPCMQ-HNNXBMFYSA-N 1 0 244.382 3.821 20 30 BHEDRO C=CCCCC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664818668 412025513 /nfs/dbraw/zinc/02/55/13/412025513.db2.gz IKKSXSYYSNPCMQ-OAHLLOKOSA-N 1 0 244.382 3.821 20 30 BHEDRO C=CCCCC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828570 412026649 /nfs/dbraw/zinc/02/66/49/412026649.db2.gz GWZOELNIAFKQBD-HNNXBMFYSA-N 1 0 244.382 3.821 20 30 BHEDRO C=CCCCC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828571 412028453 /nfs/dbraw/zinc/02/84/53/412028453.db2.gz GWZOELNIAFKQBD-OAHLLOKOSA-N 1 0 244.382 3.821 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665268289 412211726 /nfs/dbraw/zinc/21/17/26/412211726.db2.gz LQDAORBLROFPAO-GDBMZVCRSA-N 1 0 244.382 3.591 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665268290 412212333 /nfs/dbraw/zinc/21/23/33/412212333.db2.gz LQDAORBLROFPAO-GOEBONIOSA-N 1 0 244.382 3.591 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665268291 412212002 /nfs/dbraw/zinc/21/20/02/412212002.db2.gz LQDAORBLROFPAO-HOCLYGCPSA-N 1 0 244.382 3.591 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665268292 412211844 /nfs/dbraw/zinc/21/18/44/412211844.db2.gz LQDAORBLROFPAO-ZBFHGGJFSA-N 1 0 244.382 3.591 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc2ccncc2s1 ZINC000667473930 488020585 /nfs/dbraw/zinc/02/05/85/488020585.db2.gz ZFDNCELLAHXMLF-UHFFFAOYSA-N 1 0 246.379 3.694 20 30 BHEDRO C=C1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000667601621 488055544 /nfs/dbraw/zinc/05/55/44/488055544.db2.gz GYMFXTQWTBWUNP-UHFFFAOYSA-N 1 0 240.350 3.628 20 30 BHEDRO C=C1CC[NH+](Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000667601638 488055448 /nfs/dbraw/zinc/05/54/48/488055448.db2.gz HUTUSROSONJTJK-UHFFFAOYSA-N 1 0 240.350 3.628 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc2ccncc2s1 ZINC000667656256 488076649 /nfs/dbraw/zinc/07/66/49/488076649.db2.gz BITAXVOXXXRRDS-UHFFFAOYSA-N 1 0 246.379 3.694 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(F)c(F)c1F ZINC000667656921 488077447 /nfs/dbraw/zinc/07/74/47/488077447.db2.gz WDOPDBAORXEYQY-UHFFFAOYSA-N 1 0 243.272 3.502 20 30 BHEDRO C=CC[N@@H+](Cc1cc2ccc(C)cc2[nH]1)C1CC1 ZINC000667981788 488175308 /nfs/dbraw/zinc/17/53/08/488175308.db2.gz YEFUYXSITVBGIG-UHFFFAOYSA-N 1 0 240.350 3.627 20 30 BHEDRO C=CC[N@@H+](Cc1cc2c(cccc2C)[nH]1)C1CC1 ZINC000667982774 487789058 /nfs/dbraw/zinc/78/90/58/487789058.db2.gz PXRICNPIJPTIRU-UHFFFAOYSA-N 1 0 240.350 3.627 20 30 BHEDRO C=CCC[NH2+]CCCc1c(F)cccc1Cl ZINC000668482485 487815158 /nfs/dbraw/zinc/81/51/58/487815158.db2.gz PLEDSCOYEGFMLE-UHFFFAOYSA-N 1 0 241.737 3.577 20 30 BHEDRO C=CCC[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000668483768 490297755 /nfs/dbraw/zinc/29/77/55/490297755.db2.gz ZRASLAQMSHMKJY-UHFFFAOYSA-N 1 0 245.366 3.584 20 30 BHEDRO C=CCC1([NH2+][C@@H](CC)CCCC)CCOCC1 ZINC000668551317 487922091 /nfs/dbraw/zinc/92/20/91/487922091.db2.gz KAEZEIRFGJUPPE-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC1([NH2+][C@H](CC)CCCC)CCOCC1 ZINC000668551318 487921850 /nfs/dbraw/zinc/92/18/50/487921850.db2.gz KAEZEIRFGJUPPE-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC1([NH2+][C@@H](C)CCC(C)C)CCOCC1 ZINC000668551904 487922270 /nfs/dbraw/zinc/92/22/70/487922270.db2.gz ZPTNVFRAHWTRRR-AWEZNQCLSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC1([NH2+][C@H](C)CCC(C)C)CCOCC1 ZINC000668551905 487922229 /nfs/dbraw/zinc/92/22/29/487922229.db2.gz ZPTNVFRAHWTRRR-CQSZACIVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC1([NH2+]C(CCC)CCC)CCOCC1 ZINC000668552497 487922731 /nfs/dbraw/zinc/92/27/31/487922731.db2.gz NDGKAZNUXZSGGZ-UHFFFAOYSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668667748 488083926 /nfs/dbraw/zinc/08/39/26/488083926.db2.gz GMVLACKOAGUPQF-FQUUOJAGSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000668667749 488083723 /nfs/dbraw/zinc/08/37/23/488083723.db2.gz GMVLACKOAGUPQF-IGQOVBAYSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000668667750 488083849 /nfs/dbraw/zinc/08/38/49/488083849.db2.gz GMVLACKOAGUPQF-MQYQWHSLSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668667751 488083946 /nfs/dbraw/zinc/08/39/46/488083946.db2.gz GMVLACKOAGUPQF-YIYPIFLZSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668669398 582855822 /nfs/dbraw/zinc/85/58/22/582855822.db2.gz SEEYNSGLCZDJFJ-FQUUOJAGSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000668669399 490495700 /nfs/dbraw/zinc/49/57/00/490495700.db2.gz SEEYNSGLCZDJFJ-YIYPIFLZSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCCC(C)(C)[NH2+]CCCc1ccc(C)nc1 ZINC000668778218 491142324 /nfs/dbraw/zinc/14/23/24/491142324.db2.gz LBRAGRWVONRLDN-UHFFFAOYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000669618316 487912172 /nfs/dbraw/zinc/91/21/72/487912172.db2.gz GBKRLPVXDPWBOV-HNNXBMFYSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000669618317 487912211 /nfs/dbraw/zinc/91/22/11/487912211.db2.gz GBKRLPVXDPWBOV-OAHLLOKOSA-N 1 0 245.366 3.628 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000669694353 487683965 /nfs/dbraw/zinc/68/39/65/487683965.db2.gz AHHMVNDPJCKJOJ-CHWSQXEVSA-N 1 0 247.407 3.861 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000669694354 487684323 /nfs/dbraw/zinc/68/43/23/487684323.db2.gz AHHMVNDPJCKJOJ-QWHCGFSZSA-N 1 0 247.407 3.861 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942863 487950508 /nfs/dbraw/zinc/95/05/08/487950508.db2.gz RZQCFAJDVWESGR-HNNXBMFYSA-N 1 0 233.330 3.523 20 30 BHEDRO C=CCCC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942864 487950547 /nfs/dbraw/zinc/95/05/47/487950547.db2.gz RZQCFAJDVWESGR-OAHLLOKOSA-N 1 0 233.330 3.523 20 30 BHEDRO C=C(CC)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000669944890 487952526 /nfs/dbraw/zinc/95/25/26/487952526.db2.gz WNAQJLJRAWCGLZ-UHFFFAOYSA-N 1 0 231.339 3.725 20 30 BHEDRO CCC#C[C@H](C)[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000669944940 487952244 /nfs/dbraw/zinc/95/22/44/487952244.db2.gz XIUOZWBWAOAISO-AWEZNQCLSA-N 1 0 243.350 3.561 20 30 BHEDRO CCC#C[C@@H](C)[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000669944941 487952420 /nfs/dbraw/zinc/95/24/20/487952420.db2.gz XIUOZWBWAOAISO-CQSZACIVSA-N 1 0 243.350 3.561 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCCC)cc1C ZINC000671121331 487919171 /nfs/dbraw/zinc/91/91/71/487919171.db2.gz HRFRSMPNBIJBGF-AWEZNQCLSA-N 1 0 247.382 3.838 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCCC)cc1C ZINC000671121335 487919144 /nfs/dbraw/zinc/91/91/44/487919144.db2.gz HRFRSMPNBIJBGF-CQSZACIVSA-N 1 0 247.382 3.838 20 30 BHEDRO C=CCCC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671245874 487889827 /nfs/dbraw/zinc/88/98/27/487889827.db2.gz KEPKIVDRPJGCIN-UHFFFAOYSA-N 1 0 217.356 3.820 20 30 BHEDRO C=C(CC)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245930 487889578 /nfs/dbraw/zinc/88/95/78/487889578.db2.gz UFECXPQVLKJMNM-UHFFFAOYSA-N 1 0 217.356 3.820 20 30 BHEDRO C=C(C)CC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671246774 487892593 /nfs/dbraw/zinc/89/25/93/487892593.db2.gz XUHXZXVESZUMMR-UHFFFAOYSA-N 1 0 217.356 3.820 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ccoc1C)c1ccco1 ZINC000671743652 487718681 /nfs/dbraw/zinc/71/86/81/487718681.db2.gz GNRWUVKINUAZEX-AWEZNQCLSA-N 1 0 245.322 3.978 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ccoc1C)c1ccco1 ZINC000671743653 487718714 /nfs/dbraw/zinc/71/87/14/487718714.db2.gz GNRWUVKINUAZEX-CQSZACIVSA-N 1 0 245.322 3.978 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccco1 ZINC000671743811 487717536 /nfs/dbraw/zinc/71/75/36/487717536.db2.gz VZOZXCQPUMBZSG-GXTWGEPZSA-N 1 0 233.355 3.923 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](C)C1CC1)c1ccco1 ZINC000671743817 487717488 /nfs/dbraw/zinc/71/74/88/487717488.db2.gz VZOZXCQPUMBZSG-JSGCOSHPSA-N 1 0 233.355 3.923 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccco1 ZINC000671743819 487717578 /nfs/dbraw/zinc/71/75/78/487717578.db2.gz VZOZXCQPUMBZSG-OCCSQVGLSA-N 1 0 233.355 3.923 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccco1 ZINC000671743820 487717893 /nfs/dbraw/zinc/71/78/93/487717893.db2.gz VZOZXCQPUMBZSG-TZMCWYRMSA-N 1 0 233.355 3.923 20 30 BHEDRO CCC#C[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578758 490340353 /nfs/dbraw/zinc/34/03/53/490340353.db2.gz DLEWSRVXEYUZFY-GXTWGEPZSA-N 1 0 247.407 3.933 20 30 BHEDRO CCC#C[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578759 490340607 /nfs/dbraw/zinc/34/06/07/490340607.db2.gz DLEWSRVXEYUZFY-JSGCOSHPSA-N 1 0 247.407 3.933 20 30 BHEDRO CCC#C[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578760 490340644 /nfs/dbraw/zinc/34/06/44/490340644.db2.gz DLEWSRVXEYUZFY-OCCSQVGLSA-N 1 0 247.407 3.933 20 30 BHEDRO CCC#C[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578761 490340431 /nfs/dbraw/zinc/34/04/31/490340431.db2.gz DLEWSRVXEYUZFY-TZMCWYRMSA-N 1 0 247.407 3.933 20 30 BHEDRO C=CC[N@@H+](CCC(C)C)Cc1cccs1 ZINC000673090763 488276783 /nfs/dbraw/zinc/27/67/83/488276783.db2.gz GYLRPNCSDDFHTL-UHFFFAOYSA-N 1 0 223.385 3.782 20 30 BHEDRO C=CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000673259541 488280511 /nfs/dbraw/zinc/28/05/11/488280511.db2.gz PTFUEBINNOMCMR-UHFFFAOYSA-N 1 0 229.367 3.517 20 30 BHEDRO C=CCCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008785 487497996 /nfs/dbraw/zinc/49/79/96/487497996.db2.gz CUFFAEKSJJFDTE-AWEZNQCLSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008791 487498258 /nfs/dbraw/zinc/49/82/58/487498258.db2.gz CUFFAEKSJJFDTE-CQSZACIVSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505591 487589290 /nfs/dbraw/zinc/58/92/90/487589290.db2.gz OPPFKNVZYRNEQW-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=C(C)C[N@H+](CC)CCOc1cccc(CC)c1 ZINC000674783325 487618672 /nfs/dbraw/zinc/61/86/72/487618672.db2.gz YTMNDQXQEARPON-UHFFFAOYSA-N 1 0 247.382 3.526 20 30 BHEDRO CC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000675075123 538508278 /nfs/dbraw/zinc/50/82/78/538508278.db2.gz HAJSIAWQFXMXBJ-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000675075433 538509059 /nfs/dbraw/zinc/50/90/59/538509059.db2.gz OOAFYYKDGULOIH-AWEZNQCLSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000675075434 538509045 /nfs/dbraw/zinc/50/90/45/538509045.db2.gz OOAFYYKDGULOIH-CQSZACIVSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000675075610 538509861 /nfs/dbraw/zinc/50/98/61/538509861.db2.gz SDYYQMVUJVFSNP-AWEZNQCLSA-N 1 0 234.387 3.725 20 30 BHEDRO C[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000675075612 538509891 /nfs/dbraw/zinc/50/98/91/538509891.db2.gz SDYYQMVUJVFSNP-CQSZACIVSA-N 1 0 234.387 3.725 20 30 BHEDRO CCC[N@H+](CC)CCCCC1(C#N)CCC1 ZINC000675075989 537890392 /nfs/dbraw/zinc/89/03/92/537890392.db2.gz YGHFXIDPGKZJKT-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO C=C(C[NH2+]Cc1ccc(CC)o1)c1ccccc1 ZINC000675472611 487738266 /nfs/dbraw/zinc/73/82/66/487738266.db2.gz IXOHDYOHKVDVLY-UHFFFAOYSA-N 1 0 241.334 3.645 20 30 BHEDRO C=CC[N@H+](Cc1cccc(F)c1)C(C)(C)C ZINC000675549903 487746588 /nfs/dbraw/zinc/74/65/88/487746588.db2.gz FCXMGCCFIXYLHH-UHFFFAOYSA-N 1 0 221.319 3.612 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000675591429 487750951 /nfs/dbraw/zinc/75/09/51/487750951.db2.gz DKTDAQIHNPOZCV-UHFFFAOYSA-N 1 0 217.356 3.818 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000675591479 487751049 /nfs/dbraw/zinc/75/10/49/487751049.db2.gz GHALSAMIOYPNEJ-UHFFFAOYSA-N 1 0 231.383 3.992 20 30 BHEDRO C=C(C[NH2+][C@H](C)c1ccoc1)c1ccccc1 ZINC000675782212 487778251 /nfs/dbraw/zinc/77/82/51/487778251.db2.gz OAVJISIWMSBHMF-CYBMUJFWSA-N 1 0 227.307 3.644 20 30 BHEDRO C=C(C[NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000675782213 487778417 /nfs/dbraw/zinc/77/84/17/487778417.db2.gz OAVJISIWMSBHMF-ZDUSSCGKSA-N 1 0 227.307 3.644 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(=C)c1ccccc1 ZINC000675783389 487778300 /nfs/dbraw/zinc/77/83/00/487778300.db2.gz HENMWPPEZNXODF-DZGCQCFKSA-N 1 0 229.367 3.890 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(=C)c1ccccc1 ZINC000675783390 487778290 /nfs/dbraw/zinc/77/82/90/487778290.db2.gz HENMWPPEZNXODF-HIFRSBDPSA-N 1 0 229.367 3.890 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(=C)c1ccccc1 ZINC000675783391 487778546 /nfs/dbraw/zinc/77/85/46/487778546.db2.gz HENMWPPEZNXODF-UKRRQHHQSA-N 1 0 229.367 3.890 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(=C)c1ccccc1 ZINC000675783392 487776108 /nfs/dbraw/zinc/77/61/08/487776108.db2.gz HENMWPPEZNXODF-ZFWWWQNUSA-N 1 0 229.367 3.890 20 30 BHEDRO C=C(C[NH2+][C@@H](C)CC1CCC1)c1ccccc1 ZINC000675784205 487778412 /nfs/dbraw/zinc/77/84/12/487778412.db2.gz WKERPNLHZBLYRY-AWEZNQCLSA-N 1 0 229.367 3.868 20 30 BHEDRO C=C(C[NH2+][C@H](C)CC1CCC1)c1ccccc1 ZINC000675784206 487778575 /nfs/dbraw/zinc/77/85/75/487778575.db2.gz WKERPNLHZBLYRY-CQSZACIVSA-N 1 0 229.367 3.868 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675927453 487792996 /nfs/dbraw/zinc/79/29/96/487792996.db2.gz GIMDWJGLTSSKGN-GDBMZVCRSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675927455 487793501 /nfs/dbraw/zinc/79/35/01/487793501.db2.gz GIMDWJGLTSSKGN-GOEBONIOSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675927457 487793459 /nfs/dbraw/zinc/79/34/59/487793459.db2.gz GIMDWJGLTSSKGN-HOCLYGCPSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675927458 487793054 /nfs/dbraw/zinc/79/30/54/487793054.db2.gz GIMDWJGLTSSKGN-ZBFHGGJFSA-N 1 0 246.398 3.910 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675928508 487793507 /nfs/dbraw/zinc/79/35/07/487793507.db2.gz UWZSJVKFOZVKBR-DZGCQCFKSA-N 1 0 232.371 3.520 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675928509 487793343 /nfs/dbraw/zinc/79/33/43/487793343.db2.gz UWZSJVKFOZVKBR-HIFRSBDPSA-N 1 0 232.371 3.520 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675928510 487793296 /nfs/dbraw/zinc/79/32/96/487793296.db2.gz UWZSJVKFOZVKBR-UKRRQHHQSA-N 1 0 232.371 3.520 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@H](C)c1ccncc1 ZINC000675928511 487793313 /nfs/dbraw/zinc/79/33/13/487793313.db2.gz UWZSJVKFOZVKBR-ZFWWWQNUSA-N 1 0 232.371 3.520 20 30 BHEDRO CC(C)CC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000676557271 487871046 /nfs/dbraw/zinc/87/10/46/487871046.db2.gz PMIZHQGSSRIPNJ-UHFFFAOYSA-N 1 0 249.785 3.669 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H](C)c1ccncc1)C1CC1 ZINC000676639338 487886359 /nfs/dbraw/zinc/88/63/59/487886359.db2.gz KLQCKXOKCIPVPC-BBRMVZONSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H](C)c1ccncc1)C1CC1 ZINC000676639339 487886246 /nfs/dbraw/zinc/88/62/46/487886246.db2.gz KLQCKXOKCIPVPC-CJNGLKHVSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C1CC1 ZINC000676639341 487886379 /nfs/dbraw/zinc/88/63/79/487886379.db2.gz KLQCKXOKCIPVPC-CZUORRHYSA-N 1 0 244.382 3.520 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H](C)c1ccncc1)C1CC1 ZINC000676639342 487886106 /nfs/dbraw/zinc/88/61/06/487886106.db2.gz KLQCKXOKCIPVPC-XJKSGUPXSA-N 1 0 244.382 3.520 20 30 BHEDRO CC(C)CC[N@H+](C)CC#Cc1ccccc1Cl ZINC000676714188 487901909 /nfs/dbraw/zinc/90/19/09/487901909.db2.gz CVRSUSPXOMRLOB-UHFFFAOYSA-N 1 0 249.785 3.669 20 30 BHEDRO CC[C@@H](C)C[N@H+](C)CC#Cc1ccccc1Cl ZINC000676714613 487902050 /nfs/dbraw/zinc/90/20/50/487902050.db2.gz AUXMTXDCNUDDCV-CYBMUJFWSA-N 1 0 249.785 3.669 20 30 BHEDRO CC[C@H](C)C[N@H+](C)CC#Cc1ccccc1Cl ZINC000676714616 487902536 /nfs/dbraw/zinc/90/25/36/487902536.db2.gz AUXMTXDCNUDDCV-ZDUSSCGKSA-N 1 0 249.785 3.669 20 30 BHEDRO C=CC[NH+](CC=C)Cc1ccccc1C1CC1 ZINC000678120241 488199947 /nfs/dbraw/zinc/19/99/47/488199947.db2.gz CUSXSQSJZZHJKE-UHFFFAOYSA-N 1 0 227.351 3.738 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1nccc2ccccc21 ZINC000678121840 488200535 /nfs/dbraw/zinc/20/05/35/488200535.db2.gz KTYMGNUHXZSCTK-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678241186 488224420 /nfs/dbraw/zinc/22/44/20/488224420.db2.gz CDELZQBCQNBSRW-UHFFFAOYSA-N 1 0 227.351 3.716 20 30 BHEDRO C=CC1CC[NH+](Cc2cscc2Cl)CC1 ZINC000678260130 488227764 /nfs/dbraw/zinc/22/77/64/488227764.db2.gz ZCAGKBRJQWSWDP-UHFFFAOYSA-N 1 0 241.787 3.800 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1cscc1Cl ZINC000678274710 488234686 /nfs/dbraw/zinc/23/46/86/488234686.db2.gz HWBGQRPOJJJWDM-UHFFFAOYSA-N 1 0 229.776 3.800 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1nccc2ccccc21 ZINC000678275755 488235595 /nfs/dbraw/zinc/23/55/95/488235595.db2.gz ZNZPUBBBVORSSG-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000678425574 488254747 /nfs/dbraw/zinc/25/47/47/488254747.db2.gz BLGNRLXIXMTPMX-FPMFFAJLSA-N 1 0 232.371 3.641 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000678425575 488254805 /nfs/dbraw/zinc/25/48/05/488254805.db2.gz BLGNRLXIXMTPMX-IACUBPJLSA-N 1 0 232.371 3.641 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000678425576 488254546 /nfs/dbraw/zinc/25/45/46/488254546.db2.gz BLGNRLXIXMTPMX-UBHSHLNASA-N 1 0 232.371 3.641 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000678425577 488254605 /nfs/dbraw/zinc/25/46/05/488254605.db2.gz BLGNRLXIXMTPMX-YUTCNCBUSA-N 1 0 232.371 3.641 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cnccc1C ZINC000678425862 488254779 /nfs/dbraw/zinc/25/47/79/488254779.db2.gz DABDIRVRWZIDPD-KBPBESRZSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1cnccc1C ZINC000678425863 488254773 /nfs/dbraw/zinc/25/47/73/488254773.db2.gz DABDIRVRWZIDPD-KGLIPLIRSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cnccc1C ZINC000678425864 488254688 /nfs/dbraw/zinc/25/46/88/488254688.db2.gz DABDIRVRWZIDPD-UONOGXRCSA-N 1 0 232.371 3.785 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cnccc1C ZINC000678425865 488254846 /nfs/dbraw/zinc/25/48/46/488254846.db2.gz DABDIRVRWZIDPD-ZIAGYGMSSA-N 1 0 232.371 3.785 20 30 BHEDRO C=C(CC)C[N@H+](C1CC1)C1CCCCC1 ZINC000678622702 488273295 /nfs/dbraw/zinc/27/32/95/488273295.db2.gz CTXMQCOFJYLCMG-UHFFFAOYSA-N 1 0 207.361 3.750 20 30 BHEDRO C=C(CC)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000678623663 488273300 /nfs/dbraw/zinc/27/33/00/488273300.db2.gz SEGIAKDRZJRCMW-UHFFFAOYSA-N 1 0 219.328 3.519 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccnc1C ZINC000678623788 488273027 /nfs/dbraw/zinc/27/30/27/488273027.db2.gz MPJXBMMUUQWJTK-CYBMUJFWSA-N 1 0 232.371 3.615 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccnc1C ZINC000678623790 488272809 /nfs/dbraw/zinc/27/28/09/488272809.db2.gz MPJXBMMUUQWJTK-ZDUSSCGKSA-N 1 0 232.371 3.615 20 30 BHEDRO C=C(CC)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000678624697 488273728 /nfs/dbraw/zinc/27/37/28/488273728.db2.gz LKCPQWOQHQXAEE-HNNXBMFYSA-N 1 0 247.407 3.743 20 30 BHEDRO C=C(CC)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000678624698 488273737 /nfs/dbraw/zinc/27/37/37/488273737.db2.gz LKCPQWOQHQXAEE-OAHLLOKOSA-N 1 0 247.407 3.743 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000678624744 487632059 /nfs/dbraw/zinc/63/20/59/487632059.db2.gz PACABYVJMUGGPG-GFCCVEGCSA-N 1 0 233.330 3.711 20 30 BHEDRO C=C(CC)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000678624745 487631945 /nfs/dbraw/zinc/63/19/45/487631945.db2.gz PACABYVJMUGGPG-LBPRGKRZSA-N 1 0 233.330 3.711 20 30 BHEDRO C=C(CC)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000678624781 488273429 /nfs/dbraw/zinc/27/34/29/488273429.db2.gz FVJVUAJBYQYPFG-UHFFFAOYSA-N 1 0 233.330 3.761 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678624977 488273891 /nfs/dbraw/zinc/27/38/91/488273891.db2.gz KPPILRNNIUFOLX-AWEZNQCLSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C(CC)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678624979 488273570 /nfs/dbraw/zinc/27/35/70/488273570.db2.gz KPPILRNNIUFOLX-CQSZACIVSA-N 1 0 219.303 3.539 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000678697969 488276827 /nfs/dbraw/zinc/27/68/27/488276827.db2.gz LAWIVANNMGEVCP-UONOGXRCSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000678697971 488276925 /nfs/dbraw/zinc/27/69/25/488276925.db2.gz LAWIVANNMGEVCP-ZIAGYGMSSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000678698412 488277136 /nfs/dbraw/zinc/27/71/36/488277136.db2.gz RFNLUDWTWAAVPI-UONOGXRCSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000678698413 488276905 /nfs/dbraw/zinc/27/69/05/488276905.db2.gz RFNLUDWTWAAVPI-ZIAGYGMSSA-N 1 0 232.371 3.867 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000678698654 488276964 /nfs/dbraw/zinc/27/69/64/488276964.db2.gz ZBKIPRXRFLKKSL-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000678698655 488277019 /nfs/dbraw/zinc/27/70/19/488277019.db2.gz ZBKIPRXRFLKKSL-RRFJBIMHSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000678698656 488276915 /nfs/dbraw/zinc/27/69/15/488276915.db2.gz ZBKIPRXRFLKKSL-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000678698657 488277065 /nfs/dbraw/zinc/27/70/65/488277065.db2.gz ZBKIPRXRFLKKSL-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000678714957 488276862 /nfs/dbraw/zinc/27/68/62/488276862.db2.gz ZWUZRIGHYZRJOB-GFCCVEGCSA-N 1 0 223.385 3.925 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](C)Cc1ccsc1 ZINC000678714961 488276789 /nfs/dbraw/zinc/27/67/89/488276789.db2.gz ZWUZRIGHYZRJOB-LBPRGKRZSA-N 1 0 223.385 3.925 20 30 BHEDRO C=CCCC[C@@H](C)[N@H+](CC)Cc1ccoc1 ZINC000678715296 488277432 /nfs/dbraw/zinc/27/74/32/488277432.db2.gz KZXYOFFLNYOKJR-CYBMUJFWSA-N 1 0 221.344 3.846 20 30 BHEDRO C=CCCC[C@H](C)[N@H+](CC)Cc1ccoc1 ZINC000678715297 488277746 /nfs/dbraw/zinc/27/77/46/488277746.db2.gz KZXYOFFLNYOKJR-ZDUSSCGKSA-N 1 0 221.344 3.846 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000678715330 488277556 /nfs/dbraw/zinc/27/75/56/488277556.db2.gz NDFSEXNTJZSARH-AWEZNQCLSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000678715331 488277456 /nfs/dbraw/zinc/27/74/56/488277456.db2.gz NDFSEXNTJZSARH-CQSZACIVSA-N 1 0 245.366 3.626 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000678717057 488277630 /nfs/dbraw/zinc/27/76/30/488277630.db2.gz YALQQIBUJPUFJA-KBPBESRZSA-N 1 0 233.355 3.814 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000678717058 488277815 /nfs/dbraw/zinc/27/78/15/488277815.db2.gz YALQQIBUJPUFJA-KGLIPLIRSA-N 1 0 233.355 3.814 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000678717059 488277635 /nfs/dbraw/zinc/27/76/35/488277635.db2.gz YALQQIBUJPUFJA-UONOGXRCSA-N 1 0 233.355 3.814 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000678717060 488277623 /nfs/dbraw/zinc/27/76/23/488277623.db2.gz YALQQIBUJPUFJA-ZIAGYGMSSA-N 1 0 233.355 3.814 20 30 BHEDRO C=CCCC[C@@H](C)[NH+]1CCC2(CC2)CC1 ZINC000678721770 488278598 /nfs/dbraw/zinc/27/85/98/488278598.db2.gz MWUSWKHGZJQZQA-CYBMUJFWSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCC[C@H](C)[NH+]1CCC2(CC2)CC1 ZINC000678721783 488278574 /nfs/dbraw/zinc/27/85/74/488278574.db2.gz MWUSWKHGZJQZQA-ZDUSSCGKSA-N 1 0 207.361 3.607 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000678732899 488279803 /nfs/dbraw/zinc/27/98/03/488279803.db2.gz GWDOZJFWLMBDFC-KBPBESRZSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000678732900 488279590 /nfs/dbraw/zinc/27/95/90/488279590.db2.gz GWDOZJFWLMBDFC-KGLIPLIRSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000678732901 488279784 /nfs/dbraw/zinc/27/97/84/488279784.db2.gz GWDOZJFWLMBDFC-UONOGXRCSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000678732902 488279594 /nfs/dbraw/zinc/27/95/94/488279594.db2.gz GWDOZJFWLMBDFC-ZIAGYGMSSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000678756382 488280733 /nfs/dbraw/zinc/28/07/33/488280733.db2.gz FBKJOZZFMYFTID-KBPBESRZSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000678756383 488280739 /nfs/dbraw/zinc/28/07/39/488280739.db2.gz FBKJOZZFMYFTID-KGLIPLIRSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000678756384 488280762 /nfs/dbraw/zinc/28/07/62/488280762.db2.gz FBKJOZZFMYFTID-UONOGXRCSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000678756385 488280727 /nfs/dbraw/zinc/28/07/27/488280727.db2.gz FBKJOZZFMYFTID-ZIAGYGMSSA-N 1 0 245.366 3.538 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000678773621 488281619 /nfs/dbraw/zinc/28/16/19/488281619.db2.gz PYEDOZOOTDNBON-DVOMOZLQSA-N 1 0 229.367 3.864 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000678773622 488281569 /nfs/dbraw/zinc/28/15/69/488281569.db2.gz PYEDOZOOTDNBON-HEHGZKQESA-N 1 0 229.367 3.864 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000678773624 488281813 /nfs/dbraw/zinc/28/18/13/488281813.db2.gz PYEDOZOOTDNBON-WWGRRREGSA-N 1 0 229.367 3.864 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000678773626 488281762 /nfs/dbraw/zinc/28/17/62/488281762.db2.gz PYEDOZOOTDNBON-XEZPLFJOSA-N 1 0 229.367 3.864 20 30 BHEDRO C=CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795742 488284470 /nfs/dbraw/zinc/28/44/70/488284470.db2.gz HEHHQSMCFPFYFR-AWEZNQCLSA-N 1 0 239.309 3.828 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795743 488284295 /nfs/dbraw/zinc/28/42/95/488284295.db2.gz HEHHQSMCFPFYFR-CQSZACIVSA-N 1 0 239.309 3.828 20 30 BHEDRO C=C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000678823494 488288016 /nfs/dbraw/zinc/28/80/16/488288016.db2.gz SWTGLHJRZNOABD-UHFFFAOYSA-N 1 0 229.367 3.616 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000678893961 488294529 /nfs/dbraw/zinc/29/45/29/488294529.db2.gz XFMXMTLTNAJHFD-BBRMVZONSA-N 1 0 227.351 3.529 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000678893962 488294494 /nfs/dbraw/zinc/29/44/94/488294494.db2.gz XFMXMTLTNAJHFD-CJNGLKHVSA-N 1 0 227.351 3.529 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000678893963 488294630 /nfs/dbraw/zinc/29/46/30/488294630.db2.gz XFMXMTLTNAJHFD-CZUORRHYSA-N 1 0 227.351 3.529 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000678893964 488294670 /nfs/dbraw/zinc/29/46/70/488294670.db2.gz XFMXMTLTNAJHFD-XJKSGUPXSA-N 1 0 227.351 3.529 20 30 BHEDRO C=CCOc1cccc(C[NH2+]CCCC2CC2)c1 ZINC000678930798 488296043 /nfs/dbraw/zinc/29/60/43/488296043.db2.gz ARWGKZAQKMCOGT-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccccc1C1CC1 ZINC000679362122 487941763 /nfs/dbraw/zinc/94/17/63/487941763.db2.gz VUMHQUNKTIDYDC-UHFFFAOYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccc(O)cc1 ZINC000679391857 488349622 /nfs/dbraw/zinc/34/96/22/488349622.db2.gz AWBHAKAHHDTCEQ-UHFFFAOYSA-N 1 0 233.355 3.570 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679534978 488356743 /nfs/dbraw/zinc/35/67/43/488356743.db2.gz ROOVQBRFOHYLIC-HNNXBMFYSA-N 1 0 229.367 3.614 20 30 BHEDRO C=CCCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000679534980 488356674 /nfs/dbraw/zinc/35/66/74/488356674.db2.gz ROOVQBRFOHYLIC-OAHLLOKOSA-N 1 0 229.367 3.614 20 30 BHEDRO C=CCCC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679543407 488357738 /nfs/dbraw/zinc/35/77/38/488357738.db2.gz CGQYRVWFTZMAHC-GHMZBOCLSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679543408 488357639 /nfs/dbraw/zinc/35/76/39/488357639.db2.gz CGQYRVWFTZMAHC-MNOVXSKESA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679543409 488357679 /nfs/dbraw/zinc/35/76/79/488357679.db2.gz CGQYRVWFTZMAHC-QWRGUYRKSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679543410 488357748 /nfs/dbraw/zinc/35/77/48/488357748.db2.gz CGQYRVWFTZMAHC-WDEREUQCSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(CC)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679547260 488358019 /nfs/dbraw/zinc/35/80/19/488358019.db2.gz MRKBEUFZRYKCRA-GHMZBOCLSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(CC)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679547261 488358160 /nfs/dbraw/zinc/35/81/60/488358160.db2.gz MRKBEUFZRYKCRA-MNOVXSKESA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(CC)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679547262 488358069 /nfs/dbraw/zinc/35/80/69/488358069.db2.gz MRKBEUFZRYKCRA-QWRGUYRKSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(CC)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679547263 488358144 /nfs/dbraw/zinc/35/81/44/488358144.db2.gz MRKBEUFZRYKCRA-WDEREUQCSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCOCC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000679576661 487610440 /nfs/dbraw/zinc/61/04/40/487610440.db2.gz QPGCNLUHWGHGMT-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOCC[NH2+][C@H](C)CCC1CCCCC1 ZINC000679576662 487610466 /nfs/dbraw/zinc/61/04/66/487610466.db2.gz QPGCNLUHWGHGMT-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)C[N@@H+](CCC)Cc1ccc(C)cc1 ZINC000679635674 488361164 /nfs/dbraw/zinc/36/11/64/488361164.db2.gz GAQYMPQVMSXOTM-UHFFFAOYSA-N 1 0 217.356 3.783 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000680000000 487513852 /nfs/dbraw/zinc/51/38/52/487513852.db2.gz AFPQRKZXFJTMTI-CYBMUJFWSA-N 1 0 235.346 3.655 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000680000003 487513503 /nfs/dbraw/zinc/51/35/03/487513503.db2.gz AFPQRKZXFJTMTI-ZDUSSCGKSA-N 1 0 235.346 3.655 20 30 BHEDRO C=C(C)C[N@H+](C)CCCc1ccccc1Cl ZINC000680075940 487533703 /nfs/dbraw/zinc/53/37/03/487533703.db2.gz QPAKJBNUHTVVEX-UHFFFAOYSA-N 1 0 237.774 3.781 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000680380546 487580768 /nfs/dbraw/zinc/58/07/68/487580768.db2.gz GTLRFLAMAGLELV-GHMZBOCLSA-N 1 0 236.359 3.687 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000680380547 487580001 /nfs/dbraw/zinc/58/00/01/487580001.db2.gz GTLRFLAMAGLELV-MNOVXSKESA-N 1 0 236.359 3.687 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000680380548 487579881 /nfs/dbraw/zinc/57/98/81/487579881.db2.gz GTLRFLAMAGLELV-QWRGUYRKSA-N 1 0 236.359 3.687 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000680380549 487580592 /nfs/dbraw/zinc/58/05/92/487580592.db2.gz GTLRFLAMAGLELV-WDEREUQCSA-N 1 0 236.359 3.687 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000680385114 487581513 /nfs/dbraw/zinc/58/15/13/487581513.db2.gz WZHGWTMOTMGFOL-KKUMJFAQSA-N 1 0 229.367 3.570 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000680385115 487581695 /nfs/dbraw/zinc/58/16/95/487581695.db2.gz WZHGWTMOTMGFOL-RRFJBIMHSA-N 1 0 229.367 3.570 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000680385116 487580135 /nfs/dbraw/zinc/58/01/35/487580135.db2.gz WZHGWTMOTMGFOL-SOUVJXGZSA-N 1 0 229.367 3.570 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000680385117 487580445 /nfs/dbraw/zinc/58/04/45/487580445.db2.gz WZHGWTMOTMGFOL-ZNMIVQPWSA-N 1 0 229.367 3.570 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000680405009 487587742 /nfs/dbraw/zinc/58/77/42/487587742.db2.gz WQUCUVPEDOVPOA-CHWSQXEVSA-N 1 0 241.334 3.885 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000680405027 487588114 /nfs/dbraw/zinc/58/81/14/487588114.db2.gz WQUCUVPEDOVPOA-OLZOCXBDSA-N 1 0 241.334 3.885 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000680405028 487588422 /nfs/dbraw/zinc/58/84/22/487588422.db2.gz WQUCUVPEDOVPOA-QWHCGFSZSA-N 1 0 241.334 3.885 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000680405029 487588128 /nfs/dbraw/zinc/58/81/28/487588128.db2.gz WQUCUVPEDOVPOA-STQMWFEESA-N 1 0 241.334 3.885 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000680468045 487601109 /nfs/dbraw/zinc/60/11/09/487601109.db2.gz XJRZOSSHHZKKOH-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000680468047 487601113 /nfs/dbraw/zinc/60/11/13/487601113.db2.gz XJRZOSSHHZKKOH-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000680468048 487601300 /nfs/dbraw/zinc/60/13/00/487601300.db2.gz XJRZOSSHHZKKOH-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000680468050 487601259 /nfs/dbraw/zinc/60/12/59/487601259.db2.gz XJRZOSSHHZKKOH-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000680473856 487600845 /nfs/dbraw/zinc/60/08/45/487600845.db2.gz DUSZIBQIOXVGOW-BBRMVZONSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000680473857 487601257 /nfs/dbraw/zinc/60/12/57/487601257.db2.gz DUSZIBQIOXVGOW-CJNGLKHVSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000680473858 487601065 /nfs/dbraw/zinc/60/10/65/487601065.db2.gz DUSZIBQIOXVGOW-CZUORRHYSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000680473859 487601275 /nfs/dbraw/zinc/60/12/75/487601275.db2.gz DUSZIBQIOXVGOW-XJKSGUPXSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000680475472 487603070 /nfs/dbraw/zinc/60/30/70/487603070.db2.gz KVHFMMMDCQISJL-NFOMZHRRSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000680475473 487603209 /nfs/dbraw/zinc/60/32/09/487603209.db2.gz KVHFMMMDCQISJL-WLYUNCDWSA-N 1 0 239.403 3.667 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1C1CC1)C1CC1 ZINC000680481541 487603652 /nfs/dbraw/zinc/60/36/52/487603652.db2.gz MQQLOIBTTYXBMC-UHFFFAOYSA-N 1 0 227.351 3.714 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000680884627 487664752 /nfs/dbraw/zinc/66/47/52/487664752.db2.gz MLIOXBBFTBJLSV-AWEZNQCLSA-N 1 0 233.742 3.500 20 30 BHEDRO CC#CCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000680884628 487665034 /nfs/dbraw/zinc/66/50/34/487665034.db2.gz MLIOXBBFTBJLSV-CQSZACIVSA-N 1 0 233.742 3.500 20 30 BHEDRO C=CCCCC[NH2+]Cc1nccc2ccccc21 ZINC000681134103 487735646 /nfs/dbraw/zinc/73/56/46/487735646.db2.gz AEPURULXURDSGM-UHFFFAOYSA-N 1 0 240.350 3.681 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000681140058 487737095 /nfs/dbraw/zinc/73/70/95/487737095.db2.gz QZFHDNCJYXEJLM-CYBMUJFWSA-N 1 0 232.371 3.705 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000681140059 487736758 /nfs/dbraw/zinc/73/67/58/487736758.db2.gz QZFHDNCJYXEJLM-ZDUSSCGKSA-N 1 0 232.371 3.705 20 30 BHEDRO C=C(C)CC[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000681398033 487790790 /nfs/dbraw/zinc/79/07/90/487790790.db2.gz ASVHYLOAQOUFEB-UHFFFAOYSA-N 1 0 219.328 3.519 20 30 BHEDRO C=C(C)CC[N@H+](C1CC1)C1CCCCC1 ZINC000681399122 487790881 /nfs/dbraw/zinc/79/08/81/487790881.db2.gz NMQLTVJAOWKMAL-UHFFFAOYSA-N 1 0 207.361 3.750 20 30 BHEDRO C=C(C)CC[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC000681400431 487792414 /nfs/dbraw/zinc/79/24/14/487792414.db2.gz JDAUIAYNXXFYEF-UHFFFAOYSA-N 1 0 247.382 3.873 20 30 BHEDRO C=C(C)CC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000681403195 487792529 /nfs/dbraw/zinc/79/25/29/487792529.db2.gz FPQKJOYVGRSFBZ-GFCCVEGCSA-N 1 0 233.330 3.711 20 30 BHEDRO C=C(C)CC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000681403202 487792040 /nfs/dbraw/zinc/79/20/40/487792040.db2.gz FPQKJOYVGRSFBZ-LBPRGKRZSA-N 1 0 233.330 3.711 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000681403571 487792539 /nfs/dbraw/zinc/79/25/39/487792539.db2.gz CQIMCTKRPAZIBN-AWEZNQCLSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000681403582 487792105 /nfs/dbraw/zinc/79/21/05/487792105.db2.gz CQIMCTKRPAZIBN-CQSZACIVSA-N 1 0 219.303 3.539 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000681404031 487793976 /nfs/dbraw/zinc/79/39/76/487793976.db2.gz XSQJLMQIPPSGOP-CYBMUJFWSA-N 1 0 233.330 3.581 20 30 BHEDRO C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000681404033 487793680 /nfs/dbraw/zinc/79/36/80/487793680.db2.gz XSQJLMQIPPSGOP-ZDUSSCGKSA-N 1 0 233.330 3.581 20 30 BHEDRO C=C(C)CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000681404619 487793541 /nfs/dbraw/zinc/79/35/41/487793541.db2.gz WPXBKEIDBNICAJ-HNNXBMFYSA-N 1 0 247.407 3.743 20 30 BHEDRO C=C(C)CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000681404620 487793792 /nfs/dbraw/zinc/79/37/92/487793792.db2.gz WPXBKEIDBNICAJ-OAHLLOKOSA-N 1 0 247.407 3.743 20 30 BHEDRO C=C(C)CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000681406089 487794010 /nfs/dbraw/zinc/79/40/10/487794010.db2.gz SHAMQMMPBYQNSK-UHFFFAOYSA-N 1 0 233.330 3.761 20 30 BHEDRO C=C(C)CC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000681410371 487795671 /nfs/dbraw/zinc/79/56/71/487795671.db2.gz QTHUJFWRHYDTCT-GHMZBOCLSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000681410372 487795427 /nfs/dbraw/zinc/79/54/27/487795427.db2.gz QTHUJFWRHYDTCT-MNOVXSKESA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000681410373 487795714 /nfs/dbraw/zinc/79/57/14/487795714.db2.gz QTHUJFWRHYDTCT-QWRGUYRKSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C(C)CC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000681410374 487794959 /nfs/dbraw/zinc/79/49/59/487794959.db2.gz QTHUJFWRHYDTCT-WDEREUQCSA-N 1 0 235.293 3.615 20 30 BHEDRO CCC#C[C@@H](C)[NH+]1CCC(c2ccsc2)CC1 ZINC000681606247 487824365 /nfs/dbraw/zinc/82/43/65/487824365.db2.gz JXPOQSGSQCOVIA-CYBMUJFWSA-N 1 0 247.407 3.729 20 30 BHEDRO CCC#C[C@H](C)[NH+]1CCC(c2ccsc2)CC1 ZINC000681606256 487824292 /nfs/dbraw/zinc/82/42/92/487824292.db2.gz JXPOQSGSQCOVIA-ZDUSSCGKSA-N 1 0 247.407 3.729 20 30 BHEDRO C=CC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682072945 487894416 /nfs/dbraw/zinc/89/44/16/487894416.db2.gz UDJKZLRLMPHYPU-INIZCTEOSA-N 1 0 227.351 3.572 20 30 BHEDRO C=CC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682072946 487895222 /nfs/dbraw/zinc/89/52/22/487895222.db2.gz UDJKZLRLMPHYPU-MRXNPFEDSA-N 1 0 227.351 3.572 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cc(C)c(OC)cc1C ZINC000682076976 487900819 /nfs/dbraw/zinc/90/08/19/487900819.db2.gz NWPGHVFJMCVDGU-AWEZNQCLSA-N 1 0 247.382 3.881 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cc(C)c(OC)cc1C ZINC000682076984 487900913 /nfs/dbraw/zinc/90/09/13/487900913.db2.gz NWPGHVFJMCVDGU-CQSZACIVSA-N 1 0 247.382 3.881 20 30 BHEDRO C=CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000682088175 487907634 /nfs/dbraw/zinc/90/76/34/487907634.db2.gz OEQMBQAJYWELIB-CABCVRRESA-N 1 0 233.330 3.628 20 30 BHEDRO C=CCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000682088176 487907125 /nfs/dbraw/zinc/90/71/25/487907125.db2.gz OEQMBQAJYWELIB-GJZGRUSLSA-N 1 0 233.330 3.628 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000682088177 487907403 /nfs/dbraw/zinc/90/74/03/487907403.db2.gz OEQMBQAJYWELIB-HUUCEWRRSA-N 1 0 233.330 3.628 20 30 BHEDRO C=CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000682088178 487907193 /nfs/dbraw/zinc/90/71/93/487907193.db2.gz OEQMBQAJYWELIB-LSDHHAIUSA-N 1 0 233.330 3.628 20 30 BHEDRO C=C(C)C[N@@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000682163586 487920015 /nfs/dbraw/zinc/92/00/15/487920015.db2.gz BJJHOXQPGLEAIM-GFCCVEGCSA-N 1 0 237.774 3.951 20 30 BHEDRO C=C(C)C[N@@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000682163587 487920575 /nfs/dbraw/zinc/92/05/75/487920575.db2.gz BJJHOXQPGLEAIM-LBPRGKRZSA-N 1 0 237.774 3.951 20 30 BHEDRO C=C(C)C[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000682169837 487923935 /nfs/dbraw/zinc/92/39/35/487923935.db2.gz NMEVCUZIKSPTEY-UHFFFAOYSA-N 1 0 246.741 3.554 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccccc1C1CC1 ZINC000682436394 487962440 /nfs/dbraw/zinc/96/24/40/487962440.db2.gz LJQGGJOGTFXNFZ-UHFFFAOYSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCC[N@@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000682436737 487962499 /nfs/dbraw/zinc/96/24/99/487962499.db2.gz XQBTZTLLTDIKRY-GFCCVEGCSA-N 1 0 237.774 3.951 20 30 BHEDRO C=CCC[N@@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000682436738 487962646 /nfs/dbraw/zinc/96/26/46/487962646.db2.gz XQBTZTLLTDIKRY-LBPRGKRZSA-N 1 0 237.774 3.951 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc2[nH]ccc2c1 ZINC000682549019 487987391 /nfs/dbraw/zinc/98/73/91/487987391.db2.gz HLMXSOVXZDPCFC-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccn(CC)c1 ZINC000682778786 488039073 /nfs/dbraw/zinc/03/90/73/488039073.db2.gz QJYXNBHBDATGSR-UHFFFAOYSA-N 1 0 234.387 3.686 20 30 BHEDRO CCC(CC)[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000683005835 488086948 /nfs/dbraw/zinc/08/69/48/488086948.db2.gz BESHFMAFCKQFQC-UHFFFAOYSA-N 1 0 241.378 3.691 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cc(C)ccn1 ZINC000683010650 488090601 /nfs/dbraw/zinc/09/06/01/488090601.db2.gz JYZOBOIRFKPMLK-UHFFFAOYSA-N 1 0 232.371 3.568 20 30 BHEDRO C=CCCC[C@H](C)[N@@H+](C)Cc1ccn(CC)c1 ZINC000683028990 488100884 /nfs/dbraw/zinc/10/08/84/488100884.db2.gz HTXLIMLPSHNGIW-AWEZNQCLSA-N 1 0 234.387 3.685 20 30 BHEDRO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccn(CC)c1 ZINC000683028992 488101015 /nfs/dbraw/zinc/10/10/15/488101015.db2.gz HTXLIMLPSHNGIW-CQSZACIVSA-N 1 0 234.387 3.685 20 30 BHEDRO C=CCC[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000683714716 488212062 /nfs/dbraw/zinc/21/20/62/488212062.db2.gz GEJSOFDCDUBOSZ-AWEZNQCLSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CCC[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000683714717 488211610 /nfs/dbraw/zinc/21/16/10/488211610.db2.gz GEJSOFDCDUBOSZ-CQSZACIVSA-N 1 0 217.356 3.688 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000683715804 488211326 /nfs/dbraw/zinc/21/13/26/488211326.db2.gz XYURJYAWIFCPQB-UHFFFAOYSA-N 1 0 223.747 3.656 20 30 BHEDRO C=CCCCCC[N@@H+]1CCOc2ccccc2C1 ZINC000683779564 488220039 /nfs/dbraw/zinc/22/00/39/488220039.db2.gz DHEZWUGMVJZJMR-UHFFFAOYSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000683780381 488220369 /nfs/dbraw/zinc/22/03/69/488220369.db2.gz GDYZMDSYRNNYFL-AWEZNQCLSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000683780382 488220188 /nfs/dbraw/zinc/22/01/88/488220188.db2.gz GDYZMDSYRNNYFL-CQSZACIVSA-N 1 0 207.361 3.607 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000683780783 488220145 /nfs/dbraw/zinc/22/01/45/488220145.db2.gz MGUYYDVLPGMZRQ-AWEZNQCLSA-N 1 0 233.355 3.815 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000683780784 488220488 /nfs/dbraw/zinc/22/04/88/488220488.db2.gz MGUYYDVLPGMZRQ-CQSZACIVSA-N 1 0 233.355 3.815 20 30 BHEDRO C=CCCCCC[NH+]1CCC2(CC2)CC1 ZINC000683784013 488221466 /nfs/dbraw/zinc/22/14/66/488221466.db2.gz CLGYUIOSOSYFNF-UHFFFAOYSA-N 1 0 207.361 3.609 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc2cnccc2c1 ZINC000683823148 488226320 /nfs/dbraw/zinc/22/63/20/488226320.db2.gz DSBIXMBABREMLF-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000683830860 488228792 /nfs/dbraw/zinc/22/87/92/488228792.db2.gz XLFSMSBAJOMCKA-UHFFFAOYSA-N 1 0 240.350 3.633 20 30 BHEDRO C=CCCCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930344 488246818 /nfs/dbraw/zinc/24/68/18/488246818.db2.gz JIQKRYGPXGAFGI-UHFFFAOYSA-N 1 0 228.339 3.614 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1cc2ccccc2[nH]1 ZINC000684019021 488255240 /nfs/dbraw/zinc/25/52/40/488255240.db2.gz GRBXFRAEDNLIKX-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CC1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684023352 488256637 /nfs/dbraw/zinc/25/66/37/488256637.db2.gz ZJCVCTCOXVIIEK-UHFFFAOYSA-N 1 0 240.350 3.566 20 30 BHEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684023614 488256701 /nfs/dbraw/zinc/25/67/01/488256701.db2.gz ANZZMOCXPIGUEU-HNNXBMFYSA-N 1 0 240.350 3.708 20 30 BHEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684023615 488256832 /nfs/dbraw/zinc/25/68/32/488256832.db2.gz ANZZMOCXPIGUEU-OAHLLOKOSA-N 1 0 240.350 3.708 20 30 BHEDRO C=CCCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000684107860 488267478 /nfs/dbraw/zinc/26/74/78/488267478.db2.gz UBSPOTLJVVYPFM-AWEZNQCLSA-N 1 0 237.293 3.508 20 30 BHEDRO C=CCCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000684107861 488267500 /nfs/dbraw/zinc/26/75/00/488267500.db2.gz UBSPOTLJVVYPFM-CQSZACIVSA-N 1 0 237.293 3.508 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000684203866 488276096 /nfs/dbraw/zinc/27/60/96/488276096.db2.gz FRVUBUQZPTYWNG-HNNXBMFYSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CCOCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000684203867 488275978 /nfs/dbraw/zinc/27/59/78/488275978.db2.gz FRVUBUQZPTYWNG-OAHLLOKOSA-N 1 0 247.382 3.547 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000684930532 488353667 /nfs/dbraw/zinc/35/36/67/488353667.db2.gz FPUFZUQYMKFLOE-CYBMUJFWSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000684930534 488353656 /nfs/dbraw/zinc/35/36/56/488353656.db2.gz FPUFZUQYMKFLOE-ZDUSSCGKSA-N 1 0 228.339 3.612 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000684963431 487475814 /nfs/dbraw/zinc/47/58/14/487475814.db2.gz GSEANPFWCIKKBF-KBPBESRZSA-N 1 0 232.371 3.704 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000684963432 487475827 /nfs/dbraw/zinc/47/58/27/487475827.db2.gz GSEANPFWCIKKBF-KGLIPLIRSA-N 1 0 232.371 3.704 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000684963434 487476106 /nfs/dbraw/zinc/47/61/06/487476106.db2.gz GSEANPFWCIKKBF-UONOGXRCSA-N 1 0 232.371 3.704 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000684963435 487475601 /nfs/dbraw/zinc/47/56/01/487475601.db2.gz GSEANPFWCIKKBF-ZIAGYGMSSA-N 1 0 232.371 3.704 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000685005049 487491196 /nfs/dbraw/zinc/49/11/96/487491196.db2.gz LWWCHYNWGBHJRU-OLZOCXBDSA-N 1 0 247.407 3.861 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000685005050 487491357 /nfs/dbraw/zinc/49/13/57/487491357.db2.gz LWWCHYNWGBHJRU-STQMWFEESA-N 1 0 247.407 3.861 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000685007359 487491535 /nfs/dbraw/zinc/49/15/35/487491535.db2.gz LWWCHYNWGBHJRU-CHWSQXEVSA-N 1 0 247.407 3.861 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000685007360 487491502 /nfs/dbraw/zinc/49/15/02/487491502.db2.gz LWWCHYNWGBHJRU-QWHCGFSZSA-N 1 0 247.407 3.861 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccccc1SC ZINC000685041140 487992586 /nfs/dbraw/zinc/99/25/86/487992586.db2.gz AHHMVNDPJCKJOJ-OLZOCXBDSA-N 1 0 247.407 3.861 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccccc1SC ZINC000685041141 487992252 /nfs/dbraw/zinc/99/22/52/487992252.db2.gz AHHMVNDPJCKJOJ-STQMWFEESA-N 1 0 247.407 3.861 20 30 BHEDRO C=CCC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054521 487498172 /nfs/dbraw/zinc/49/81/72/487498172.db2.gz KDOZYWLTYVZXLK-PHIMTYICSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1ccc(CC)nc1 ZINC000685418653 487519150 /nfs/dbraw/zinc/51/91/50/487519150.db2.gz XMADPEKJHNYYDD-UHFFFAOYSA-N 1 0 246.398 3.822 20 30 BHEDRO CCCC[C@H](C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000685612226 487564057 /nfs/dbraw/zinc/56/40/57/487564057.db2.gz XTWQWCZGWATXLE-AWEZNQCLSA-N 1 0 247.357 3.688 20 30 BHEDRO CCCC[C@@H](C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000685612227 487564447 /nfs/dbraw/zinc/56/44/47/487564447.db2.gz XTWQWCZGWATXLE-CQSZACIVSA-N 1 0 247.357 3.688 20 30 BHEDRO C=C[C@@H](C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000685842430 487585104 /nfs/dbraw/zinc/58/51/04/487585104.db2.gz XVVQDJDWBIBGLO-CYBMUJFWSA-N 1 0 231.383 3.691 20 30 BHEDRO C=C[C@H](C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000685842431 487584963 /nfs/dbraw/zinc/58/49/63/487584963.db2.gz XVVQDJDWBIBGLO-ZDUSSCGKSA-N 1 0 231.383 3.691 20 30 BHEDRO C=CCC1([NH2+]CCc2cccs2)CCCC1 ZINC000700658252 712001779 /nfs/dbraw/zinc/00/17/79/712001779.db2.gz PFLDBTRUOBBTEY-UHFFFAOYSA-N 1 0 235.396 3.769 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000701883636 712032137 /nfs/dbraw/zinc/03/21/37/712032137.db2.gz PGBNPLUGLAMMAA-GFCCVEGCSA-N 1 0 233.355 3.645 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000701883639 712032028 /nfs/dbraw/zinc/03/20/28/712032028.db2.gz PGBNPLUGLAMMAA-LBPRGKRZSA-N 1 0 233.355 3.645 20 30 BHEDRO C=CC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000701911137 712032070 /nfs/dbraw/zinc/03/20/70/712032070.db2.gz LAAMUAOWXKDORN-YHWZYXNKSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000701918277 712032744 /nfs/dbraw/zinc/03/27/44/712032744.db2.gz PYSXSDZWSRUWEP-GFCCVEGCSA-N 1 0 222.376 3.507 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000701918278 712032436 /nfs/dbraw/zinc/03/24/36/712032436.db2.gz PYSXSDZWSRUWEP-LBPRGKRZSA-N 1 0 222.376 3.507 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C(C)(C)C ZINC000702226100 712042920 /nfs/dbraw/zinc/04/29/20/712042920.db2.gz AKCFOTYZKPBZGO-GHMZBOCLSA-N 1 0 249.320 3.745 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C(C)(C)C ZINC000702226103 712042896 /nfs/dbraw/zinc/04/28/96/712042896.db2.gz AKCFOTYZKPBZGO-MNOVXSKESA-N 1 0 249.320 3.745 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(C)(C)C ZINC000702226110 712042929 /nfs/dbraw/zinc/04/29/29/712042929.db2.gz AKCFOTYZKPBZGO-QWRGUYRKSA-N 1 0 249.320 3.745 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(C)(C)C ZINC000702226112 712043439 /nfs/dbraw/zinc/04/34/39/712043439.db2.gz AKCFOTYZKPBZGO-WDEREUQCSA-N 1 0 249.320 3.745 20 30 BHEDRO C#C[C@H]([NH2+]Cc1ccc(SC)cc1)C(C)(C)C ZINC000702226732 712043300 /nfs/dbraw/zinc/04/33/00/712043300.db2.gz DWGYGKHGKARQOZ-AWEZNQCLSA-N 1 0 247.407 3.546 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1ccc(SC)cc1)C(C)(C)C ZINC000702226733 712043389 /nfs/dbraw/zinc/04/33/89/712043389.db2.gz DWGYGKHGKARQOZ-CQSZACIVSA-N 1 0 247.407 3.546 20 30 BHEDRO C#C[C@H]([NH2+]Cc1coc2ccccc12)C(C)(C)C ZINC000702244073 712041520 /nfs/dbraw/zinc/04/15/20/712041520.db2.gz GFXRNGSLRACCKJ-HNNXBMFYSA-N 1 0 241.334 3.570 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1coc2ccccc12)C(C)(C)C ZINC000702244077 712041413 /nfs/dbraw/zinc/04/14/13/712041413.db2.gz GFXRNGSLRACCKJ-OAHLLOKOSA-N 1 0 241.334 3.570 20 30 BHEDRO C#C[C@H]([NH2+]C1CC(c2ccccc2)C1)C(C)(C)C ZINC000702246028 712041925 /nfs/dbraw/zinc/04/19/25/712041925.db2.gz LMZIIZFQLNGZBP-GPANFISMSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@@H]([NH2+]C1CC(c2ccccc2)C1)C(C)(C)C ZINC000702246030 712041622 /nfs/dbraw/zinc/04/16/22/712041622.db2.gz LMZIIZFQLNGZBP-UYSNPLJNSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H]([NH2+]Cc1cc2ccccc2o1)C(C)(C)C ZINC000702248319 712041856 /nfs/dbraw/zinc/04/18/56/712041856.db2.gz WEJLPWXCSACZGB-HNNXBMFYSA-N 1 0 241.334 3.570 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1cc2ccccc2o1)C(C)(C)C ZINC000702248321 712041702 /nfs/dbraw/zinc/04/17/02/712041702.db2.gz WEJLPWXCSACZGB-OAHLLOKOSA-N 1 0 241.334 3.570 20 30 BHEDRO CCCCCCC[NH2+]C1CCC(OCC)CC1 ZINC000703724032 712085819 /nfs/dbraw/zinc/08/58/19/712085819.db2.gz SPHUFGAUGRNXET-UHFFFAOYSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000703724038 712085695 /nfs/dbraw/zinc/08/56/95/712085695.db2.gz SRFOIIHTNUJNFC-UHFFFAOYSA-N 1 0 245.370 3.623 20 30 BHEDRO CCCCCCC[NH2+]Cc1nccn1C(C)C ZINC000703724558 712085748 /nfs/dbraw/zinc/08/57/48/712085748.db2.gz WFQTYRHFMYXGBS-UHFFFAOYSA-N 1 0 237.391 3.524 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000703733297 712085800 /nfs/dbraw/zinc/08/58/00/712085800.db2.gz IVSXPYCTYCXJBJ-AWEZNQCLSA-N 1 0 239.403 3.648 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000703733298 712085987 /nfs/dbraw/zinc/08/59/87/712085987.db2.gz IVSXPYCTYCXJBJ-CQSZACIVSA-N 1 0 239.403 3.648 20 30 BHEDRO CCCCCCC[NH2+]Cc1cncn1C(C)C ZINC000703739854 712086607 /nfs/dbraw/zinc/08/66/07/712086607.db2.gz QBPOXQVDFFQICW-UHFFFAOYSA-N 1 0 237.391 3.524 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000703742915 712087117 /nfs/dbraw/zinc/08/71/17/712087117.db2.gz CXHCQDRIRGHFIS-CABCVRRESA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000703742916 712086431 /nfs/dbraw/zinc/08/64/31/712086431.db2.gz CXHCQDRIRGHFIS-GJZGRUSLSA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000703742918 712086324 /nfs/dbraw/zinc/08/63/24/712086324.db2.gz CXHCQDRIRGHFIS-HUUCEWRRSA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000703742920 712087014 /nfs/dbraw/zinc/08/70/14/712087014.db2.gz CXHCQDRIRGHFIS-LSDHHAIUSA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000703743664 712087057 /nfs/dbraw/zinc/08/70/57/712087057.db2.gz HNYRDRFGWQVJOM-GFCCVEGCSA-N 1 0 238.350 3.842 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000703743665 712086881 /nfs/dbraw/zinc/08/68/81/712086881.db2.gz HNYRDRFGWQVJOM-LBPRGKRZSA-N 1 0 238.350 3.842 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc(COC)cc1 ZINC000703759074 712085933 /nfs/dbraw/zinc/08/59/33/712085933.db2.gz GDJHRTHLYHADCN-UHFFFAOYSA-N 1 0 249.398 3.893 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000703759603 712085984 /nfs/dbraw/zinc/08/59/84/712085984.db2.gz ILKRYJXERZZQHZ-AWEZNQCLSA-N 1 0 249.398 3.883 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000703759605 712086089 /nfs/dbraw/zinc/08/60/89/712086089.db2.gz ILKRYJXERZZQHZ-CQSZACIVSA-N 1 0 249.398 3.883 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000703855855 712091278 /nfs/dbraw/zinc/09/12/78/712091278.db2.gz MRCOVIZXBGWMFL-LLVKDONJSA-N 1 0 238.762 3.569 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000703855857 711877396 /nfs/dbraw/zinc/87/73/96/711877396.db2.gz MRCOVIZXBGWMFL-NSHDSACASA-N 1 0 238.762 3.569 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]Cc1nc(C)cs1 ZINC000703983699 712098161 /nfs/dbraw/zinc/09/81/61/712098161.db2.gz BBNIRPJKEPYSKG-UHFFFAOYSA-N 1 0 238.400 3.534 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]Cc1cnc(C)s1 ZINC000703984076 712098138 /nfs/dbraw/zinc/09/81/38/712098138.db2.gz HAMZGXFSPFRTFQ-UHFFFAOYSA-N 1 0 238.400 3.534 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCc2cccnc21 ZINC000703984772 712098475 /nfs/dbraw/zinc/09/84/75/712098475.db2.gz LZWKPXYGHKMGFD-AWEZNQCLSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCc2cccnc21 ZINC000703984774 712098205 /nfs/dbraw/zinc/09/82/05/712098205.db2.gz LZWKPXYGHKMGFD-CQSZACIVSA-N 1 0 244.382 3.651 20 30 BHEDRO C#C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C ZINC000705219443 712124896 /nfs/dbraw/zinc/12/48/96/712124896.db2.gz PMEURPPTAWEWDX-KYOSRNDESA-N 1 0 245.366 3.541 20 30 BHEDRO C#C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C(C)(C)C ZINC000705219444 712124854 /nfs/dbraw/zinc/12/48/54/712124854.db2.gz PMEURPPTAWEWDX-LNSITVRQSA-N 1 0 245.366 3.541 20 30 BHEDRO C#C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C(C)(C)C ZINC000705219446 712124843 /nfs/dbraw/zinc/12/48/43/712124843.db2.gz PMEURPPTAWEWDX-WHOFXGATSA-N 1 0 245.366 3.541 20 30 BHEDRO C#C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C ZINC000705219448 712125028 /nfs/dbraw/zinc/12/50/28/712125028.db2.gz PMEURPPTAWEWDX-ZLDLUXBVSA-N 1 0 245.366 3.541 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000705840742 712137749 /nfs/dbraw/zinc/13/77/49/712137749.db2.gz QIUUWPAFQXFJAS-CYBMUJFWSA-N 1 0 237.391 3.524 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000705840744 712137734 /nfs/dbraw/zinc/13/77/34/712137734.db2.gz QIUUWPAFQXFJAS-ZDUSSCGKSA-N 1 0 237.391 3.524 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000705896573 712139128 /nfs/dbraw/zinc/13/91/28/712139128.db2.gz PJHSUINTGUCFJG-GFCCVEGCSA-N 1 0 238.350 3.842 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000705896575 712139007 /nfs/dbraw/zinc/13/90/07/712139007.db2.gz PJHSUINTGUCFJG-LBPRGKRZSA-N 1 0 238.350 3.842 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000705951202 712138189 /nfs/dbraw/zinc/13/81/89/712138189.db2.gz FLAAOKISAYPMAI-KBPBESRZSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000705951204 712138335 /nfs/dbraw/zinc/13/83/35/712138335.db2.gz FLAAOKISAYPMAI-KGLIPLIRSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000705951205 712138496 /nfs/dbraw/zinc/13/84/96/712138496.db2.gz FLAAOKISAYPMAI-UONOGXRCSA-N 1 0 227.392 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000705951208 712138273 /nfs/dbraw/zinc/13/82/73/712138273.db2.gz FLAAOKISAYPMAI-ZIAGYGMSSA-N 1 0 227.392 3.504 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CC=CCC1 ZINC000706904566 712160339 /nfs/dbraw/zinc/16/03/39/712160339.db2.gz RPPHRSFWLOYBLP-KBPBESRZSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CC=CCC1 ZINC000706904568 712160432 /nfs/dbraw/zinc/16/04/32/712160432.db2.gz RPPHRSFWLOYBLP-KGLIPLIRSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CC=CCC1 ZINC000706904570 712160222 /nfs/dbraw/zinc/16/02/22/712160222.db2.gz RPPHRSFWLOYBLP-UONOGXRCSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CC=CCC1 ZINC000706904572 712160329 /nfs/dbraw/zinc/16/03/29/712160329.db2.gz RPPHRSFWLOYBLP-ZIAGYGMSSA-N 1 0 234.387 3.651 20 30 BHEDRO CCCCCCCC[NH+]1CCC(O)(CC)CC1 ZINC000707490431 712172544 /nfs/dbraw/zinc/17/25/44/712172544.db2.gz ZALMLEVGDDQCCK-UHFFFAOYSA-N 1 0 241.419 3.584 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000708664421 712196082 /nfs/dbraw/zinc/19/60/82/712196082.db2.gz BURKDEIDQIMGDR-KFWWJZLASA-N 1 0 241.419 3.750 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000708664431 712196144 /nfs/dbraw/zinc/19/61/44/712196144.db2.gz BURKDEIDQIMGDR-SOUVJXGZSA-N 1 0 241.419 3.750 20 30 BHEDRO N#CCCC[NH+]1CCC(C2CCCCC2)CC1 ZINC000708762193 712198980 /nfs/dbraw/zinc/19/89/80/712198980.db2.gz DGHUZCKGGGZXBT-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO N#CCCCC[NH+]1CCC(C2CCCCC2)CC1 ZINC000708768965 712198961 /nfs/dbraw/zinc/19/89/61/712198961.db2.gz ZDEGOFNTCZXHTN-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)[C@]12C[C@H]1CCCC2 ZINC000708838943 712200501 /nfs/dbraw/zinc/20/05/01/712200501.db2.gz AKEBBERILPKOSS-LZWOXQAQSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)[C@@]12C[C@@H]1CCCC2 ZINC000708838944 712200666 /nfs/dbraw/zinc/20/06/66/712200666.db2.gz AKEBBERILPKOSS-OFQRWUPVSA-N 1 0 248.414 3.875 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000708850951 712200776 /nfs/dbraw/zinc/20/07/76/712200776.db2.gz UELCOLIHQXBCDE-HGTKMLMNSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000708850959 712200672 /nfs/dbraw/zinc/20/06/72/712200672.db2.gz UELCOLIHQXBCDE-KQTLUZQSSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H](C[NH+]1CCC(C)(C#N)CC1)CC(C)(C)C ZINC000709222967 712218068 /nfs/dbraw/zinc/21/80/68/712218068.db2.gz WZLBAOAHQOUBGE-CYBMUJFWSA-N 1 0 236.403 3.684 20 30 BHEDRO C[C@H](C[NH+]1CCC(C)(C#N)CC1)CC(C)(C)C ZINC000709222969 712218100 /nfs/dbraw/zinc/21/81/00/712218100.db2.gz WZLBAOAHQOUBGE-ZDUSSCGKSA-N 1 0 236.403 3.684 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000709352177 712220169 /nfs/dbraw/zinc/22/01/69/712220169.db2.gz CBXADQHZHVGNNQ-DZGCQCFKSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000709352180 712220240 /nfs/dbraw/zinc/22/02/40/712220240.db2.gz CBXADQHZHVGNNQ-HIFRSBDPSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000709352184 712220150 /nfs/dbraw/zinc/22/01/50/712220150.db2.gz CBXADQHZHVGNNQ-UKRRQHHQSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000709352187 712220162 /nfs/dbraw/zinc/22/01/62/712220162.db2.gz CBXADQHZHVGNNQ-ZFWWWQNUSA-N 1 0 245.366 3.617 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CCCSCC1 ZINC000709541487 712224107 /nfs/dbraw/zinc/22/41/07/712224107.db2.gz YZUITDNKSUAISP-AWEZNQCLSA-N 1 0 241.444 3.998 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCCSCC1 ZINC000709541497 712223926 /nfs/dbraw/zinc/22/39/26/712223926.db2.gz YZUITDNKSUAISP-CQSZACIVSA-N 1 0 241.444 3.998 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000709721092 712216814 /nfs/dbraw/zinc/21/68/14/712216814.db2.gz SIXVQRKWCPROOL-CHWSQXEVSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000709721093 712216813 /nfs/dbraw/zinc/21/68/13/712216813.db2.gz SIXVQRKWCPROOL-OLZOCXBDSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000709721094 712216845 /nfs/dbraw/zinc/21/68/45/712216845.db2.gz SIXVQRKWCPROOL-QWHCGFSZSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000709721095 712216749 /nfs/dbraw/zinc/21/67/49/712216749.db2.gz SIXVQRKWCPROOL-STQMWFEESA-N 1 0 239.403 3.524 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C(C1CCC1)C1CCC1 ZINC000710001650 712239315 /nfs/dbraw/zinc/23/93/15/712239315.db2.gz QPQJVMBRGZWFBG-GFCCVEGCSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C(C1CCC1)C1CCC1 ZINC000710001651 712239687 /nfs/dbraw/zinc/23/96/87/712239687.db2.gz QPQJVMBRGZWFBG-LBPRGKRZSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)C(C)(C)C ZINC000710019158 711759926 /nfs/dbraw/zinc/75/99/26/711759926.db2.gz SIIRIRPMQYIYQA-NEPJUHHUSA-N 1 0 224.392 3.587 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)C(C)(C)C ZINC000710019160 712241152 /nfs/dbraw/zinc/24/11/52/712241152.db2.gz SIIRIRPMQYIYQA-NWDGAFQWSA-N 1 0 224.392 3.587 20 30 BHEDRO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C(C)(C)C ZINC000710019169 711759906 /nfs/dbraw/zinc/75/99/06/711759906.db2.gz SIIRIRPMQYIYQA-RYUDHWBXSA-N 1 0 224.392 3.587 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)C(C)(C)C ZINC000710019174 712241457 /nfs/dbraw/zinc/24/14/57/712241457.db2.gz SIIRIRPMQYIYQA-VXGBXAGGSA-N 1 0 224.392 3.587 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000710727891 712255509 /nfs/dbraw/zinc/25/55/09/712255509.db2.gz RRZONJNTUDQFID-RBSFLKMASA-N 1 0 241.419 3.629 20 30 BHEDRO CC(C)C[N@H+](CCC#N)C[C@@H](C)C(C)(C)C ZINC000711155417 712286899 /nfs/dbraw/zinc/28/68/99/712286899.db2.gz IQYMPXCTOWQTRD-CYBMUJFWSA-N 1 0 224.392 3.540 20 30 BHEDRO CC(C)C[N@H+](CCC#N)C[C@H](C)C(C)(C)C ZINC000711155419 712287010 /nfs/dbraw/zinc/28/70/10/712287010.db2.gz IQYMPXCTOWQTRD-ZDUSSCGKSA-N 1 0 224.392 3.540 20 30 BHEDRO CCC(C)(C)CC[N@H+](CCC#N)CC(C)C ZINC000711257277 712291719 /nfs/dbraw/zinc/29/17/19/712291719.db2.gz URVFMQBGMFVULB-UHFFFAOYSA-N 1 0 224.392 3.684 20 30 BHEDRO N#CCCCC[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000711884854 712338272 /nfs/dbraw/zinc/33/82/72/712338272.db2.gz AGOMOMRIPUUCGI-HNNXBMFYSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCCCC[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000711884856 712338064 /nfs/dbraw/zinc/33/80/64/712338064.db2.gz AGOMOMRIPUUCGI-OAHLLOKOSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCC1(C[NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000711890995 712338264 /nfs/dbraw/zinc/33/82/64/712338264.db2.gz FFVBDZPIIDTNTL-HNNXBMFYSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CCC1(C[NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000711891000 712338159 /nfs/dbraw/zinc/33/81/59/712338159.db2.gz FFVBDZPIIDTNTL-OAHLLOKOSA-N 1 0 246.398 3.629 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1ccns1 ZINC000715934858 712544161 /nfs/dbraw/zinc/54/41/61/712544161.db2.gz ZEZLVOREDQJMMM-LLVKDONJSA-N 1 0 224.373 3.540 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1ccns1 ZINC000715934860 712544218 /nfs/dbraw/zinc/54/42/18/712544218.db2.gz ZEZLVOREDQJMMM-NSHDSACASA-N 1 0 224.373 3.540 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1ccns1 ZINC000716000494 712552118 /nfs/dbraw/zinc/55/21/18/712552118.db2.gz UATQECCDNQCCDX-LLVKDONJSA-N 1 0 226.389 3.764 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1ccns1 ZINC000716000497 712552067 /nfs/dbraw/zinc/55/20/67/712552067.db2.gz UATQECCDNQCCDX-NSHDSACASA-N 1 0 226.389 3.764 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716051721 712548340 /nfs/dbraw/zinc/54/83/40/712548340.db2.gz BJMYSVXALMPNMH-FUDCBSFHSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716051724 712548600 /nfs/dbraw/zinc/54/86/00/712548600.db2.gz BJMYSVXALMPNMH-RLAWYHOSSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(Cl)cn1 ZINC000717747242 712668905 /nfs/dbraw/zinc/66/89/05/712668905.db2.gz FOCOAQMEVWXTNX-UHFFFAOYSA-N 1 0 238.762 3.569 20 30 BHEDRO CC(C)(C#N)CCCC[NH2+]C1(C2CC2)CCC1 ZINC000717816139 712680690 /nfs/dbraw/zinc/68/06/90/712680690.db2.gz MTSCURUQBFRHJF-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1(C2CCC2)CCC1 ZINC000717892186 712731925 /nfs/dbraw/zinc/73/19/25/712731925.db2.gz DLRQNOYJEBSSQC-GFCCVEGCSA-N 1 0 234.387 3.627 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1(C2CCC2)CCC1 ZINC000717892214 712731706 /nfs/dbraw/zinc/73/17/06/712731706.db2.gz DLRQNOYJEBSSQC-LBPRGKRZSA-N 1 0 234.387 3.627 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1sc(C)nc1C ZINC000717893866 712731835 /nfs/dbraw/zinc/73/18/35/712731835.db2.gz KYNYLABFPQBDGL-UHFFFAOYSA-N 1 0 238.400 3.594 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(C)c1O ZINC000717909331 712733019 /nfs/dbraw/zinc/73/30/19/712733019.db2.gz QDMXIKBEZYWHCL-UHFFFAOYSA-N 1 0 233.355 3.535 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cc(C)ccc1O ZINC000717909758 712733149 /nfs/dbraw/zinc/73/31/49/712733149.db2.gz VYTNQBVWUUQJQG-UHFFFAOYSA-N 1 0 233.355 3.535 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1nc(C)c(C)s1 ZINC000717940715 712734359 /nfs/dbraw/zinc/73/43/59/712734359.db2.gz YDGALQWIJLSAQD-UHFFFAOYSA-N 1 0 238.400 3.594 20 30 BHEDRO C[C@@H]([NH2+]C1CCC=CCC1)c1cccc(C#N)c1 ZINC000718028350 712736773 /nfs/dbraw/zinc/73/67/73/712736773.db2.gz DBZAXYMZQNYJQS-CYBMUJFWSA-N 1 0 240.350 3.708 20 30 BHEDRO C[C@H]([NH2+]C1CCC=CCC1)c1cccc(C#N)c1 ZINC000718028354 712736839 /nfs/dbraw/zinc/73/68/39/712736839.db2.gz DBZAXYMZQNYJQS-ZDUSSCGKSA-N 1 0 240.350 3.708 20 30 BHEDRO C[C@@H]([NH2+]C1CCC=CCC1)c1ccc(C#N)cc1 ZINC000718029811 712736551 /nfs/dbraw/zinc/73/65/51/712736551.db2.gz PELGNXFJOMIGFJ-CYBMUJFWSA-N 1 0 240.350 3.708 20 30 BHEDRO C[C@H]([NH2+]C1CCC=CCC1)c1ccc(C#N)cc1 ZINC000718029813 712736688 /nfs/dbraw/zinc/73/66/88/712736688.db2.gz PELGNXFJOMIGFJ-ZDUSSCGKSA-N 1 0 240.350 3.708 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718288766 712754894 /nfs/dbraw/zinc/75/48/94/712754894.db2.gz XABQMJHSJVMHGD-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718288767 712754946 /nfs/dbraw/zinc/75/49/46/712754946.db2.gz XABQMJHSJVMHGD-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718288769 712754882 /nfs/dbraw/zinc/75/48/82/712754882.db2.gz XABQMJHSJVMHGD-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718288770 712755025 /nfs/dbraw/zinc/75/50/25/712755025.db2.gz XABQMJHSJVMHGD-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718793938 712784252 /nfs/dbraw/zinc/78/42/52/712784252.db2.gz XNWNSFLQJXKYMO-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718793939 712783920 /nfs/dbraw/zinc/78/39/20/712783920.db2.gz XNWNSFLQJXKYMO-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718793941 712784016 /nfs/dbraw/zinc/78/40/16/712784016.db2.gz XNWNSFLQJXKYMO-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718793943 712784073 /nfs/dbraw/zinc/78/40/73/712784073.db2.gz XNWNSFLQJXKYMO-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718823672 712783928 /nfs/dbraw/zinc/78/39/28/712783928.db2.gz IPJLCZZBCYZQDF-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718823676 712784057 /nfs/dbraw/zinc/78/40/57/712784057.db2.gz IPJLCZZBCYZQDF-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718823678 712784241 /nfs/dbraw/zinc/78/42/41/712784241.db2.gz IPJLCZZBCYZQDF-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718823682 712783863 /nfs/dbraw/zinc/78/38/63/712783863.db2.gz IPJLCZZBCYZQDF-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718860182 712786514 /nfs/dbraw/zinc/78/65/14/712786514.db2.gz OIDBEOKCDJOYJC-KKUMJFAQSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718860184 712786481 /nfs/dbraw/zinc/78/64/81/712786481.db2.gz OIDBEOKCDJOYJC-RRFJBIMHSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718860186 712786487 /nfs/dbraw/zinc/78/64/87/712786487.db2.gz OIDBEOKCDJOYJC-SOUVJXGZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718860188 712786542 /nfs/dbraw/zinc/78/65/42/712786542.db2.gz OIDBEOKCDJOYJC-ZNMIVQPWSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc2ncccc12 ZINC000720473287 712845664 /nfs/dbraw/zinc/84/56/64/712845664.db2.gz QWPIVKNUKZMEPF-CYBMUJFWSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1cccc2ncccc12 ZINC000720473289 712845633 /nfs/dbraw/zinc/84/56/33/712845633.db2.gz QWPIVKNUKZMEPF-ZDUSSCGKSA-N 1 0 240.350 3.679 20 30 BHEDRO CCC1(CC)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000721222175 712899410 /nfs/dbraw/zinc/89/94/10/712899410.db2.gz OXMLXHOBWHJTKV-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO CCC1(CC)CCC[N@@H+]1CCC(C)(C)C#N ZINC000721224065 712899526 /nfs/dbraw/zinc/89/95/26/712899526.db2.gz YYWCKNZNVYVGPO-UHFFFAOYSA-N 1 0 222.376 3.581 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721588445 711654140 /nfs/dbraw/zinc/65/41/40/711654140.db2.gz PDFBRDZEAJWOEI-BFHYXJOUSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721588448 711654120 /nfs/dbraw/zinc/65/41/20/711654120.db2.gz PDFBRDZEAJWOEI-IHRRRGAJSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721588450 711654162 /nfs/dbraw/zinc/65/41/62/711654162.db2.gz PDFBRDZEAJWOEI-MELADBBJSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721588453 711654233 /nfs/dbraw/zinc/65/42/33/711654233.db2.gz PDFBRDZEAJWOEI-MJBXVCDLSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1oc(C)nc1C ZINC000723617748 710728501 /nfs/dbraw/zinc/72/85/01/710728501.db2.gz XAWTTWATYZNMGE-UHFFFAOYSA-N 1 0 236.359 3.518 20 30 BHEDRO N#CCC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000723669245 710730505 /nfs/dbraw/zinc/73/05/05/710730505.db2.gz LMPIUTWGGJHKIX-QLFBSQMISA-N 1 0 246.398 3.629 20 30 BHEDRO N#CCC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000723669247 710730653 /nfs/dbraw/zinc/73/06/53/710730653.db2.gz LMPIUTWGGJHKIX-RBSFLKMASA-N 1 0 246.398 3.629 20 30 BHEDRO N#CCC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000723669249 710730217 /nfs/dbraw/zinc/73/02/17/710730217.db2.gz LMPIUTWGGJHKIX-RRFJBIMHSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CCC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000723669251 710730692 /nfs/dbraw/zinc/73/06/92/710730692.db2.gz LMPIUTWGGJHKIX-SOUVJXGZSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000723669946 711532967 /nfs/dbraw/zinc/53/29/67/711532967.db2.gz QTHPUEIJRBLDOJ-QLFBSQMISA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000723669948 711533373 /nfs/dbraw/zinc/53/33/73/711533373.db2.gz QTHPUEIJRBLDOJ-RBSFLKMASA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000723669950 711533523 /nfs/dbraw/zinc/53/35/23/711533523.db2.gz QTHPUEIJRBLDOJ-RRFJBIMHSA-N 1 0 234.387 3.629 20 30 BHEDRO N#CCCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000723669952 711533499 /nfs/dbraw/zinc/53/34/99/711533499.db2.gz QTHPUEIJRBLDOJ-SOUVJXGZSA-N 1 0 234.387 3.629 20 30 BHEDRO CC(C)(C#N)CCC[N@H+](Cc1ccoc1)C1CC1 ZINC000723739706 710732021 /nfs/dbraw/zinc/73/20/21/710732021.db2.gz QGDYPINWYVQUSK-UHFFFAOYSA-N 1 0 246.354 3.574 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000723991873 711551568 /nfs/dbraw/zinc/55/15/68/711551568.db2.gz BMAHZPBXQLCDSN-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000723991875 711551618 /nfs/dbraw/zinc/55/16/18/711551618.db2.gz BMAHZPBXQLCDSN-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000723991877 711551733 /nfs/dbraw/zinc/55/17/33/711551733.db2.gz BMAHZPBXQLCDSN-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000723991880 711551417 /nfs/dbraw/zinc/55/14/17/711551417.db2.gz BMAHZPBXQLCDSN-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C[C@@H]([NH2+]CCC1CC=CC1)c1cccc(C#N)c1 ZINC000724182437 711566559 /nfs/dbraw/zinc/56/65/59/711566559.db2.gz ASMSEWANBKZOIR-CYBMUJFWSA-N 1 0 240.350 3.565 20 30 BHEDRO C[C@H]([NH2+]CCC1CC=CC1)c1cccc(C#N)c1 ZINC000724182439 711566256 /nfs/dbraw/zinc/56/62/56/711566256.db2.gz ASMSEWANBKZOIR-ZDUSSCGKSA-N 1 0 240.350 3.565 20 30 BHEDRO C[C@@H]([NH2+]CCC1CC=CC1)c1ccc(C#N)cc1 ZINC000724186127 711567768 /nfs/dbraw/zinc/56/77/68/711567768.db2.gz OCYXJTLVKPGIMH-CYBMUJFWSA-N 1 0 240.350 3.565 20 30 BHEDRO C[C@H]([NH2+]CCC1CC=CC1)c1ccc(C#N)cc1 ZINC000724186130 711567614 /nfs/dbraw/zinc/56/76/14/711567614.db2.gz OCYXJTLVKPGIMH-ZDUSSCGKSA-N 1 0 240.350 3.565 20 30 BHEDRO CCCCCCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724255230 711572334 /nfs/dbraw/zinc/57/23/34/711572334.db2.gz AHTYWKFZMXCRTN-WDNDVIMCSA-N 1 0 227.392 3.502 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724285635 710738144 /nfs/dbraw/zinc/73/81/44/710738144.db2.gz HZOXZDPZQTXICR-FICVDOATSA-N 1 0 239.403 3.669 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724296994 710738091 /nfs/dbraw/zinc/73/80/91/710738091.db2.gz SDFDFIULRJCKBF-FICVDOATSA-N 1 0 241.419 3.893 20 30 BHEDRO C=C1CCC(C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000724447537 711580887 /nfs/dbraw/zinc/58/08/87/711580887.db2.gz WDMXFRJHILILQT-CYBMUJFWSA-N 1 0 234.387 3.651 20 30 BHEDRO C=C1CCC(C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000724447538 711580899 /nfs/dbraw/zinc/58/08/99/711580899.db2.gz WDMXFRJHILILQT-ZDUSSCGKSA-N 1 0 234.387 3.651 20 30 BHEDRO C=C1CCC(C[NH2+][C@H](C)c2cncs2)CC1 ZINC000724485712 711584370 /nfs/dbraw/zinc/58/43/70/711584370.db2.gz FQTHNLZOLJIEOG-LLVKDONJSA-N 1 0 236.384 3.540 20 30 BHEDRO C=C1CCC(C[NH2+][C@@H](C)c2cncs2)CC1 ZINC000724485713 711584493 /nfs/dbraw/zinc/58/44/93/711584493.db2.gz FQTHNLZOLJIEOG-NSHDSACASA-N 1 0 236.384 3.540 20 30 BHEDRO C=C1CCC(C[NH2+][C@H](C)c2cscn2)CC1 ZINC000724486378 710741290 /nfs/dbraw/zinc/74/12/90/710741290.db2.gz PEOKIQMZHHFVBB-LLVKDONJSA-N 1 0 236.384 3.540 20 30 BHEDRO C=C1CCC(C[NH2+][C@@H](C)c2cscn2)CC1 ZINC000724486380 710742469 /nfs/dbraw/zinc/74/24/69/710742469.db2.gz PEOKIQMZHHFVBB-NSHDSACASA-N 1 0 236.384 3.540 20 30 BHEDRO C=C1CCC(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000724486784 711584517 /nfs/dbraw/zinc/58/45/17/711584517.db2.gz WUQYUYUZJNZFRR-UHFFFAOYSA-N 1 0 234.387 3.652 20 30 BHEDRO C=C1CCC(C[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000724490681 710742026 /nfs/dbraw/zinc/74/20/26/710742026.db2.gz LRUKYIFHGDNGIG-GFCCVEGCSA-N 1 0 248.345 3.618 20 30 BHEDRO C=C1CCC(C[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000724490682 710742572 /nfs/dbraw/zinc/74/25/72/710742572.db2.gz LRUKYIFHGDNGIG-LBPRGKRZSA-N 1 0 248.345 3.618 20 30 BHEDRO C=C1CCC(C[NH2+][C@H](C)c2nccs2)CC1 ZINC000724547540 711589203 /nfs/dbraw/zinc/58/92/03/711589203.db2.gz QFFXCNIGEQXNGC-LLVKDONJSA-N 1 0 236.384 3.540 20 30 BHEDRO C=C1CCC(C[NH2+][C@@H](C)c2nccs2)CC1 ZINC000724547578 711589436 /nfs/dbraw/zinc/58/94/36/711589436.db2.gz QFFXCNIGEQXNGC-NSHDSACASA-N 1 0 236.384 3.540 20 30 BHEDRO C=C1CCC(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000724549415 711589482 /nfs/dbraw/zinc/58/94/82/711589482.db2.gz MYJBPEGYNBHHMM-AWEZNQCLSA-N 1 0 239.428 3.608 20 30 BHEDRO C=C1CCC(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000724549417 711589346 /nfs/dbraw/zinc/58/93/46/711589346.db2.gz MYJBPEGYNBHHMM-CQSZACIVSA-N 1 0 239.428 3.608 20 30 BHEDRO C[C@H](C=[NH+]n1cnc2ccccc21)c1ccccc1 ZINC000725849471 582907708 /nfs/dbraw/zinc/90/77/08/582907708.db2.gz IZVQMBQYKFZNML-CYBMUJFWSA-N 1 0 249.317 3.674 20 30 BHEDRO C[C@@H](C=[NH+]n1cnc2ccccc21)c1ccccc1 ZINC000725849472 582907647 /nfs/dbraw/zinc/90/76/47/582907647.db2.gz IZVQMBQYKFZNML-ZDUSSCGKSA-N 1 0 249.317 3.674 20 30 BHEDRO C(CCc1ccccc1)=[NH+]n1cnc2ccccc21 ZINC000725849710 582909103 /nfs/dbraw/zinc/90/91/03/582909103.db2.gz QOHMCDUBEIXIED-UHFFFAOYSA-N 1 0 249.317 3.503 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000726070477 583325005 /nfs/dbraw/zinc/32/50/05/583325005.db2.gz ABHNEOVXEXNJSV-CYBMUJFWSA-N 1 0 235.758 3.537 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000726070481 583324975 /nfs/dbraw/zinc/32/49/75/583324975.db2.gz ABHNEOVXEXNJSV-ZDUSSCGKSA-N 1 0 235.758 3.537 20 30 BHEDRO C=C(Cl)C[N@H+](C)CCC1CCCCC1 ZINC000726071319 583327575 /nfs/dbraw/zinc/32/75/75/583327575.db2.gz DSEYETGRLWKFLG-UHFFFAOYSA-N 1 0 215.768 3.641 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(OC(C)C)cc1)C(C)C ZINC000726596817 583362488 /nfs/dbraw/zinc/36/24/88/583362488.db2.gz UYZVGETZLSNEOH-UHFFFAOYSA-N 1 0 247.382 3.870 20 30 BHEDRO Cc1ccc(N(CCCCC#N)C(C)C)cc1 ZINC000726603106 583362256 /nfs/dbraw/zinc/36/22/56/583362256.db2.gz WUBHGLLTZOSQIF-UHFFFAOYSA-N 1 0 230.355 3.904 20 30 BHEDRO C=C(Cl)C[NH+]1CCC2(CCCCC2)CC1 ZINC000726692764 583368202 /nfs/dbraw/zinc/36/82/02/583368202.db2.gz KEIDZEQFEPOZHS-UHFFFAOYSA-N 1 0 227.779 3.785 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000727222296 583623705 /nfs/dbraw/zinc/62/37/05/583623705.db2.gz JVIOZEGHAMMLEJ-HNNXBMFYSA-N 1 0 249.785 3.836 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000727222297 583623419 /nfs/dbraw/zinc/62/34/19/583623419.db2.gz JVIOZEGHAMMLEJ-OAHLLOKOSA-N 1 0 249.785 3.836 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000727463962 583655510 /nfs/dbraw/zinc/65/55/10/583655510.db2.gz JGAVUCJUEFPVPE-UHFFFAOYSA-N 1 0 245.370 3.623 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000727464225 583655679 /nfs/dbraw/zinc/65/56/79/583655679.db2.gz MQYRJXFVKMGHFR-UHFFFAOYSA-N 1 0 245.370 3.623 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccccc1N(C)C ZINC000727464522 583656275 /nfs/dbraw/zinc/65/62/75/583656275.db2.gz RYZHJKFVYXMEBS-UHFFFAOYSA-N 1 0 248.414 3.813 20 30 BHEDRO C=CC[N@H+](Cc1cccs1)C[Si](C)(C)C ZINC000729267214 583988123 /nfs/dbraw/zinc/98/81/23/583988123.db2.gz LUEQQIOJKLVENX-UHFFFAOYSA-N 1 0 239.460 3.614 20 30 BHEDRO C=C(Cl)C[N@@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000729544221 584017924 /nfs/dbraw/zinc/01/79/24/584017924.db2.gz BOKJFGHVLGIBAP-GXSJLCMTSA-N 1 0 215.768 3.638 20 30 BHEDRO C=C(Cl)C[N@@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000729544222 584017915 /nfs/dbraw/zinc/01/79/15/584017915.db2.gz BOKJFGHVLGIBAP-KOLCDFICSA-N 1 0 215.768 3.638 20 30 BHEDRO C=C(Cl)C[N@@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000729544223 584017989 /nfs/dbraw/zinc/01/79/89/584017989.db2.gz BOKJFGHVLGIBAP-MWLCHTKSSA-N 1 0 215.768 3.638 20 30 BHEDRO C=C(Cl)C[N@@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000729544224 584018195 /nfs/dbraw/zinc/01/81/95/584018195.db2.gz BOKJFGHVLGIBAP-ONGXEEELSA-N 1 0 215.768 3.638 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000730062355 584119559 /nfs/dbraw/zinc/11/95/59/584119559.db2.gz LUDIECGGGODYOI-HNNXBMFYSA-N 1 0 249.785 3.694 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000730062356 584119565 /nfs/dbraw/zinc/11/95/65/584119565.db2.gz LUDIECGGGODYOI-OAHLLOKOSA-N 1 0 249.785 3.694 20 30 BHEDRO C=C(Cl)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000730378728 584910252 /nfs/dbraw/zinc/91/02/52/584910252.db2.gz VCAMVHPZROLUNP-UHFFFAOYSA-N 1 0 249.785 3.927 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846459 584929515 /nfs/dbraw/zinc/92/95/15/584929515.db2.gz ZUTSIKZOZYOQDC-UHFFFAOYSA-N 1 0 245.366 3.713 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000732412735 584936907 /nfs/dbraw/zinc/93/69/07/584936907.db2.gz VRAPMOLGTGTWHI-UHFFFAOYSA-N 1 0 227.779 3.785 20 30 BHEDRO C=CC[N@@H+](CC(=C)Cl)CC1CCCCC1 ZINC000732694958 584940030 /nfs/dbraw/zinc/94/00/30/584940030.db2.gz GORRUPFNYPTQIU-UHFFFAOYSA-N 1 0 227.779 3.807 20 30 BHEDRO C=CC[N@@H+](C/C=C\Cl)CC1CCCCC1 ZINC000732695810 584939936 /nfs/dbraw/zinc/93/99/36/584939936.db2.gz PBCLCBBYWFKQOE-TWGQIWQCSA-N 1 0 227.779 3.807 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732987462 641883206 /nfs/dbraw/zinc/88/32/06/641883206.db2.gz VPCIULWFUQATNE-AWEZNQCLSA-N 1 0 237.293 3.678 20 30 BHEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732987463 641882501 /nfs/dbraw/zinc/88/25/01/641882501.db2.gz VPCIULWFUQATNE-CQSZACIVSA-N 1 0 237.293 3.678 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000734058541 643487917 /nfs/dbraw/zinc/48/79/17/643487917.db2.gz QMDOBPQNAFTMHK-AWEZNQCLSA-N 1 0 235.758 3.748 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000734058542 643487498 /nfs/dbraw/zinc/48/74/98/643487498.db2.gz QMDOBPQNAFTMHK-CQSZACIVSA-N 1 0 235.758 3.748 20 30 BHEDRO C=C(Cl)C[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000734211592 584959394 /nfs/dbraw/zinc/95/93/94/584959394.db2.gz VUDAOCCDIURCJW-HNNXBMFYSA-N 1 0 249.785 3.754 20 30 BHEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000734211593 584959417 /nfs/dbraw/zinc/95/94/17/584959417.db2.gz VUDAOCCDIURCJW-OAHLLOKOSA-N 1 0 249.785 3.754 20 30 BHEDRO C=CC[N@@H+](CCc1ccc(CC)cc1)C(C)C ZINC000734484543 643498604 /nfs/dbraw/zinc/49/86/04/643498604.db2.gz YHNQUQGDERHYMG-UHFFFAOYSA-N 1 0 231.383 3.688 20 30 BHEDRO C=CC[N@H+](Cc1ccc2c(c1)CCC2)C(C)C ZINC000734484694 643499321 /nfs/dbraw/zinc/49/93/21/643499321.db2.gz YZFXAEFNNYJXHN-UHFFFAOYSA-N 1 0 229.367 3.572 20 30 BHEDRO C=C(Cl)C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000734637257 584966407 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QIENMUIFQDQCMB-UHFFFAOYSA-N 1 0 235.346 3.656 20 30 BHEDRO C=CCCC[N@@H+](CC)CCc1ccc(OC)cc1 ZINC000735490920 584977949 /nfs/dbraw/zinc/97/79/49/584977949.db2.gz VQCFUPFVACOORO-UHFFFAOYSA-N 1 0 247.382 3.526 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccc(F)cc1F ZINC000735490921 584977946 /nfs/dbraw/zinc/97/79/46/584977946.db2.gz VTEXRLCTEMEHGH-UHFFFAOYSA-N 1 0 239.309 3.753 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@H]1CCc2ccccc21 ZINC000735490942 584977890 /nfs/dbraw/zinc/97/78/90/584977890.db2.gz WNXJAWNHSVCJPN-INIZCTEOSA-N 1 0 229.367 3.962 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@@H]1CCc2ccccc21 ZINC000735490943 584977975 /nfs/dbraw/zinc/97/79/75/584977975.db2.gz WNXJAWNHSVCJPN-MRXNPFEDSA-N 1 0 229.367 3.962 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccc(F)cc1 ZINC000735490995 584978053 /nfs/dbraw/zinc/97/80/53/584978053.db2.gz ZELSOXBEEZEBPY-UHFFFAOYSA-N 1 0 221.319 3.614 20 30 BHEDRO C=CC[N@@H+](CCSc1ccccc1)C(C)C ZINC000735491390 584978034 /nfs/dbraw/zinc/97/80/34/584978034.db2.gz JZDXNZZIBUJEKK-UHFFFAOYSA-N 1 0 235.396 3.675 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccc(F)c(F)c1 ZINC000735491545 584978142 /nfs/dbraw/zinc/97/81/42/584978142.db2.gz LZXDPKHOJMVUMN-UHFFFAOYSA-N 1 0 239.309 3.753 20 30 BHEDRO C=CCCC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000735492075 584977981 /nfs/dbraw/zinc/97/79/81/584977981.db2.gz IZRPBSHALNONFV-CYBMUJFWSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCCC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000735492079 584977961 /nfs/dbraw/zinc/97/79/61/584977961.db2.gz IZRPBSHALNONFV-ZDUSSCGKSA-N 1 0 215.340 3.572 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cccc(C)c1 ZINC000735492493 584977939 /nfs/dbraw/zinc/97/79/39/584977939.db2.gz ZXSMKQAMKYMWTL-UHFFFAOYSA-N 1 0 217.356 3.783 20 30 BHEDRO C#CC[N@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000735494592 584978003 /nfs/dbraw/zinc/97/80/03/584978003.db2.gz FPLRIXFBNSINMZ-INIZCTEOSA-N 1 0 227.351 3.545 20 30 BHEDRO C#CC[N@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000735494593 584978105 /nfs/dbraw/zinc/97/81/05/584978105.db2.gz FPLRIXFBNSINMZ-MRXNPFEDSA-N 1 0 227.351 3.545 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000735562948 584979776 /nfs/dbraw/zinc/97/97/76/584979776.db2.gz QUGHLAIKPORCPT-UHFFFAOYSA-N 1 0 246.398 3.541 20 30 BHEDRO C=CC[N@H+](Cc1ccc2ccccc2n1)C(C)C ZINC000736308000 584996934 /nfs/dbraw/zinc/99/69/34/584996934.db2.gz DIMJKUSOIRERPO-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO C=CC[N@H+](Cc1c(C)cccc1C)C(C)C ZINC000738305096 585042318 /nfs/dbraw/zinc/04/23/18/585042318.db2.gz PIILKMQYJXAGEI-UHFFFAOYSA-N 1 0 217.356 3.700 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000739902087 585085092 /nfs/dbraw/zinc/08/50/92/585085092.db2.gz FPEFAWBDFYPENO-UHFFFAOYSA-N 1 0 246.398 3.541 20 30 BHEDRO C=CCC[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000739905518 585084966 /nfs/dbraw/zinc/08/49/66/585084966.db2.gz XJFCOSVKRAQJQK-UHFFFAOYSA-N 1 0 227.351 3.660 20 30 BHEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000739915505 585085536 /nfs/dbraw/zinc/08/55/36/585085536.db2.gz PWPBEYVONNMPAG-AWEZNQCLSA-N 1 0 237.293 3.678 20 30 BHEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000739915506 585085664 /nfs/dbraw/zinc/08/56/64/585085664.db2.gz PWPBEYVONNMPAG-CQSZACIVSA-N 1 0 237.293 3.678 20 30 BHEDRO C=CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000739915514 585085479 /nfs/dbraw/zinc/08/54/79/585085479.db2.gz QBMSSSTYIOSBDR-UHFFFAOYSA-N 1 0 245.366 3.713 20 30 BHEDRO C=CCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000740423556 585101538 /nfs/dbraw/zinc/10/15/38/585101538.db2.gz NXMTVFXXYXTEHI-UHFFFAOYSA-N 1 0 246.398 3.539 20 30 BHEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000740423834 636249482 /nfs/dbraw/zinc/24/94/82/636249482.db2.gz UDJIAGMVLMOKJU-CMPLNLGQSA-N 1 0 215.768 3.640 20 30 BHEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000740423835 636249181 /nfs/dbraw/zinc/24/91/81/636249181.db2.gz UDJIAGMVLMOKJU-JQWIXIFHSA-N 1 0 215.768 3.640 20 30 BHEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1[C@H](C)CC ZINC000740423836 636249375 /nfs/dbraw/zinc/24/93/75/636249375.db2.gz UDJIAGMVLMOKJU-PWSUYJOCSA-N 1 0 215.768 3.640 20 30 BHEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000740423837 636249538 /nfs/dbraw/zinc/24/95/38/636249538.db2.gz UDJIAGMVLMOKJU-ZYHUDNBSSA-N 1 0 215.768 3.640 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1ccco1 ZINC000740873956 644558596 /nfs/dbraw/zinc/55/85/96/644558596.db2.gz QLZFCZVJKRCWJG-UHFFFAOYSA-N 1 0 209.333 3.682 20 30 BHEDRO C=CC[N@@H+](CCOC1CCCCCC1)C(C)C ZINC000740875096 644560320 /nfs/dbraw/zinc/56/03/20/644560320.db2.gz DTURLTTZHGTJGR-UHFFFAOYSA-N 1 0 239.403 3.622 20 30 BHEDRO CCCCCCC[N@H+](CC)CCc1ccccn1 ZINC000740875131 644562039 /nfs/dbraw/zinc/56/20/39/644562039.db2.gz GXOHVAFUMXWVQF-UHFFFAOYSA-N 1 0 248.414 3.916 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1ccoc1 ZINC000740875335 644562071 /nfs/dbraw/zinc/56/20/71/644562071.db2.gz TZPJYYAQFLDYAD-UHFFFAOYSA-N 1 0 209.333 3.682 20 30 BHEDRO CCCCCCCC[NH+]1CCC(OCC)CC1 ZINC000740875406 644562055 /nfs/dbraw/zinc/56/20/55/644562055.db2.gz YRYRFKQRRFQYHQ-UHFFFAOYSA-N 1 0 241.419 3.848 20 30 BHEDRO CCCCCCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000740875439 583977788 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DVSWQSFZWOWKPY-OAHLLOKOSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCCC[N@H+](CC)C[C@@H]1CCOC1 ZINC000740877937 644564315 /nfs/dbraw/zinc/56/43/15/644564315.db2.gz ILVAFQWJBWJFMO-HNNXBMFYSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCCC[N@H+](CC)C[C@H]1CCOC1 ZINC000740877938 644562881 /nfs/dbraw/zinc/56/28/81/644562881.db2.gz ILVAFQWJBWJFMO-OAHLLOKOSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCC[N@H+](C)C1CCC(OC)CC1 ZINC000740877944 644564137 /nfs/dbraw/zinc/56/41/37/644564137.db2.gz IWUJKDSZISYXBD-UHFFFAOYSA-N 1 0 241.419 3.846 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1ccccc1O ZINC000740878034 585107628 /nfs/dbraw/zinc/10/76/28/585107628.db2.gz RIIMFVGTCKOQNV-UHFFFAOYSA-N 1 0 235.371 3.794 20 30 BHEDRO CCCCCCC[NH+]1CCC(OC(C)C)CC1 ZINC000740878100 644564425 /nfs/dbraw/zinc/56/44/25/644564425.db2.gz VNNKDWIWXDZFBG-UHFFFAOYSA-N 1 0 241.419 3.846 20 30 BHEDRO C=CC[N@@H+](CCCCOc1ccccc1)C(C)C ZINC000741776631 585118054 /nfs/dbraw/zinc/11/80/54/585118054.db2.gz CCDSHLZLPWRUEP-UHFFFAOYSA-N 1 0 247.382 3.742 20 30 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249.785 3.865 20 30 BHEDRO C(=[NH+]n1cnc2ccccc21)C1CCCCCC1 ZINC000741847558 585120329 /nfs/dbraw/zinc/12/03/29/585120329.db2.gz NAUHNNVSELKBAZ-UHFFFAOYSA-N 1 0 241.338 3.841 20 30 BHEDRO Cc1cccc(F)c1C[NH2+]CC(C)(C)CCC#N ZINC000742381425 585125479 /nfs/dbraw/zinc/12/54/79/585125479.db2.gz SVGRVJJJCCRKNE-UHFFFAOYSA-N 1 0 248.345 3.554 20 30 BHEDRO C#CCCC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000742385135 585125629 /nfs/dbraw/zinc/12/56/29/585125629.db2.gz RJCCNHKVYKTBQB-UHFFFAOYSA-N 1 0 249.357 3.857 20 30 BHEDRO C=CC[N@@H+](CCCOc1ccccc1C)C(C)C ZINC000742588369 585128575 /nfs/dbraw/zinc/12/85/75/585128575.db2.gz KCQFQMFWVXUONS-UHFFFAOYSA-N 1 0 247.382 3.660 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000742725375 585130835 /nfs/dbraw/zinc/13/08/35/585130835.db2.gz OQWIFRBRWANLMD-CYBMUJFWSA-N 1 0 245.366 3.530 20 30 BHEDRO C=CCOc1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000742725376 585130852 /nfs/dbraw/zinc/13/08/52/585130852.db2.gz OQWIFRBRWANLMD-ZDUSSCGKSA-N 1 0 245.366 3.530 20 30 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C=C(Cl)C[N@H+]1CCC[C@](C)(CCC)C1 ZINC000743873797 585140787 /nfs/dbraw/zinc/14/07/87/585140787.db2.gz VLRQEJIDMQYXMX-LBPRGKRZSA-N 1 0 215.768 3.641 20 30 BHEDRO CCCCCCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000745984587 585162340 /nfs/dbraw/zinc/16/23/40/585162340.db2.gz PKZPCDIMDJWVFC-UHFFFAOYSA-N 1 0 249.402 3.560 20 30 BHEDRO C#CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000746101944 585163194 /nfs/dbraw/zinc/16/31/94/585163194.db2.gz UUBKRFCHPOCODS-INIZCTEOSA-N 1 0 249.357 3.883 20 30 BHEDRO C#CC[N@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000746101945 585163286 /nfs/dbraw/zinc/16/32/86/585163286.db2.gz UUBKRFCHPOCODS-MRXNPFEDSA-N 1 0 249.357 3.883 20 30 BHEDRO C=C(C)C[N@@H+](CCCC)Cc1ccccc1 ZINC000746102062 585163142 /nfs/dbraw/zinc/16/31/42/585163142.db2.gz XVOOQJFAOFMSSO-UHFFFAOYSA-N 1 0 217.356 3.865 20 30 BHEDRO C#CCN(C)[C@H](C)c1cc(Cl)ccc1Cl ZINC000746126244 585163538 /nfs/dbraw/zinc/16/35/38/585163538.db2.gz XXOCQSYJXZNGOL-SECBINFHSA-N 1 0 242.149 3.619 20 30 BHEDRO C#CCN(C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000746126247 585163356 /nfs/dbraw/zinc/16/33/56/585163356.db2.gz XXOCQSYJXZNGOL-VIFPVBQESA-N 1 0 242.149 3.619 20 30 BHEDRO C#CC[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000746136614 585163878 /nfs/dbraw/zinc/16/38/78/585163878.db2.gz AUWRUJMPSGNTCZ-SECBINFHSA-N 1 0 242.149 3.619 20 30 BHEDRO C#CC[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000746136615 585163686 /nfs/dbraw/zinc/16/36/86/585163686.db2.gz AUWRUJMPSGNTCZ-VIFPVBQESA-N 1 0 242.149 3.619 20 30 BHEDRO C=CC[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000746140506 585163838 /nfs/dbraw/zinc/16/38/38/585163838.db2.gz VEWAZTMHIYPNBA-UHFFFAOYSA-N 1 0 243.272 3.713 20 30 BHEDRO C#CC[N@H+](Cc1cccs1)C1CCCCC1 ZINC000746147999 585163701 /nfs/dbraw/zinc/16/37/01/585163701.db2.gz RKNBOLSWSOZJHI-UHFFFAOYSA-N 1 0 233.380 3.516 20 30 BHEDRO C=CC[N@H+](Cc1ccc(C)cc1C)C(C)C ZINC000746148187 585163913 /nfs/dbraw/zinc/16/39/13/585163913.db2.gz VCURAGHXSWQKOM-UHFFFAOYSA-N 1 0 217.356 3.700 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(CC)cc1)C(C)C ZINC000746152791 585164000 /nfs/dbraw/zinc/16/40/00/585164000.db2.gz CWUAAEPQPNYWIU-UHFFFAOYSA-N 1 0 217.356 3.645 20 30 BHEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1C ZINC000746156315 585164204 /nfs/dbraw/zinc/16/42/04/585164204.db2.gz IKVQUAZHTOXMSY-UHFFFAOYSA-N 1 0 249.357 3.630 20 30 BHEDRO C#CC[N@H+](Cc1ccccc1)Cc1cccc(C)c1 ZINC000746156642 585163976 /nfs/dbraw/zinc/16/39/76/585163976.db2.gz MJRITTDHJONFLR-UHFFFAOYSA-N 1 0 249.357 3.630 20 30 BHEDRO C=CC[N@H+](CC#Cc1cccc(Cl)c1)C(C)C ZINC000746449891 585167982 /nfs/dbraw/zinc/16/79/82/585167982.db2.gz KALJKHWHAZFQFW-UHFFFAOYSA-N 1 0 247.769 3.588 20 30 BHEDRO C#CC[N@@H+](CC)C1c2ccccc2-c2ccccc21 ZINC000746458003 585168313 /nfs/dbraw/zinc/16/83/13/585168313.db2.gz ZGSKREKGSLWCKG-UHFFFAOYSA-N 1 0 247.341 3.712 20 30 BHEDRO C=C(Cl)C[N@@H+](CC(C)C)C1CCCC1 ZINC000746657307 584884870 /nfs/dbraw/zinc/88/48/70/584884870.db2.gz FAWQYGRGGCIQAC-UHFFFAOYSA-N 1 0 215.768 3.640 20 30 BHEDRO C=C(Cl)C[N@H+](Cc1ccccc1)CC(C)C ZINC000746658487 585172148 /nfs/dbraw/zinc/17/21/48/585172148.db2.gz KWAYDEYSOSMUID-UHFFFAOYSA-N 1 0 237.774 3.897 20 30 BHEDRO C=CC[N@@H+](CCc1ccccc1Cl)C(C)C ZINC000746854691 585172884 /nfs/dbraw/zinc/17/28/84/585172884.db2.gz BHKWKZOGGWULMN-UHFFFAOYSA-N 1 0 237.774 3.779 20 30 BHEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000747110707 583337609 /nfs/dbraw/zinc/33/76/09/583337609.db2.gz NFXUEVCSDFQNRS-LLVKDONJSA-N 1 0 215.768 3.640 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000747532185 583363671 /nfs/dbraw/zinc/36/36/71/583363671.db2.gz VGLFFBCPIPQTMA-DZGCQCFKSA-N 1 0 249.785 3.692 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000747532186 583362946 /nfs/dbraw/zinc/36/29/46/583362946.db2.gz VGLFFBCPIPQTMA-HIFRSBDPSA-N 1 0 249.785 3.692 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000747532187 583363080 /nfs/dbraw/zinc/36/30/80/583363080.db2.gz VGLFFBCPIPQTMA-UKRRQHHQSA-N 1 0 249.785 3.692 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000747532188 583363222 /nfs/dbraw/zinc/36/32/22/583363222.db2.gz VGLFFBCPIPQTMA-ZFWWWQNUSA-N 1 0 249.785 3.692 20 30 BHEDRO C=C(Cl)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000747670397 585182103 /nfs/dbraw/zinc/18/21/03/585182103.db2.gz VZOKFENUSMASNH-HNNXBMFYSA-N 1 0 247.769 3.891 20 30 BHEDRO C=C(Cl)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000747670403 585182269 /nfs/dbraw/zinc/18/22/69/585182269.db2.gz VZOKFENUSMASNH-OAHLLOKOSA-N 1 0 247.769 3.891 20 30 BHEDRO CCCCCCC[N@H+](CCC#N)CC1CC1 ZINC000747963940 585186484 /nfs/dbraw/zinc/18/64/84/585186484.db2.gz ZAULIJCLINOBSD-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO CCCCCCCC[N@@H+]1CC[C@H](COCC)C1 ZINC000747966903 585186350 /nfs/dbraw/zinc/18/63/50/585186350.db2.gz MOJSTUDRIKABIC-HNNXBMFYSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCCC[N@@H+]1CC[C@@H](COCC)C1 ZINC000747966904 585186548 /nfs/dbraw/zinc/18/65/48/585186548.db2.gz MOJSTUDRIKABIC-OAHLLOKOSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1cccc(O)c1 ZINC000748817164 585196809 /nfs/dbraw/zinc/19/68/09/585196809.db2.gz KYDKTZIAECOURF-UHFFFAOYSA-N 1 0 235.371 3.794 20 30 BHEDRO C=C(Cl)C[N@@H+](C)C1CCCCCCC1 ZINC000748983099 585197865 /nfs/dbraw/zinc/19/78/65/585197865.db2.gz ZNRIUDCRJPNQLA-UHFFFAOYSA-N 1 0 215.768 3.784 20 30 BHEDRO C=C(Cl)C[N@@H+](C(C)C)C1CCCCC1 ZINC000749066122 585199152 /nfs/dbraw/zinc/19/91/52/585199152.db2.gz DVKKAWSHOOJYKV-UHFFFAOYSA-N 1 0 215.768 3.782 20 30 BHEDRO CCCCCCC[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000749115113 585199680 /nfs/dbraw/zinc/19/96/80/585199680.db2.gz HCNLTOWMYJYZKU-INIZCTEOSA-N 1 0 249.398 3.622 20 30 BHEDRO CCCCCCC[N@H+](C)[C@H](CO)c1ccccc1 ZINC000749115114 585199764 /nfs/dbraw/zinc/19/97/64/585199764.db2.gz HCNLTOWMYJYZKU-MRXNPFEDSA-N 1 0 249.398 3.622 20 30 BHEDRO C=C(Cl)C[N@@H+](C)C1CCC(CC)CC1 ZINC000749116252 585199791 /nfs/dbraw/zinc/19/97/91/585199791.db2.gz MJABVTMNFFYRPD-UHFFFAOYSA-N 1 0 215.768 3.640 20 30 BHEDRO CCCC(CCC)[NH2+]Cc1cc(C#N)ccc1F ZINC000749131460 644589300 /nfs/dbraw/zinc/58/93/00/644589300.db2.gz MAFVBXRXOBOJLO-UHFFFAOYSA-N 1 0 248.345 3.756 20 30 BHEDRO C=CC[N@H+](CC#Cc1ccccc1Cl)C(C)C ZINC000749515565 585203367 /nfs/dbraw/zinc/20/33/67/585203367.db2.gz UPFQCJYTUSWUSU-UHFFFAOYSA-N 1 0 247.769 3.588 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000749843463 585207408 /nfs/dbraw/zinc/20/74/08/585207408.db2.gz CNFYTKQTMZRYEM-AWEZNQCLSA-N 1 0 249.402 3.560 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000749843478 585207428 /nfs/dbraw/zinc/20/74/28/585207428.db2.gz CNFYTKQTMZRYEM-CQSZACIVSA-N 1 0 249.402 3.560 20 30 BHEDRO CCCCCCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000751483340 585231352 /nfs/dbraw/zinc/23/13/52/585231352.db2.gz VDPGKECYVXVSEF-UHFFFAOYSA-N 1 0 249.402 3.560 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000751775879 585236286 /nfs/dbraw/zinc/23/62/86/585236286.db2.gz IXIPFKKRUVWHCD-GXTWGEPZSA-N 1 0 235.758 3.617 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000751775880 585236244 /nfs/dbraw/zinc/23/62/44/585236244.db2.gz IXIPFKKRUVWHCD-JSGCOSHPSA-N 1 0 235.758 3.617 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000751775881 585236234 /nfs/dbraw/zinc/23/62/34/585236234.db2.gz IXIPFKKRUVWHCD-OCCSQVGLSA-N 1 0 235.758 3.617 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000751775882 585236265 /nfs/dbraw/zinc/23/62/65/585236265.db2.gz IXIPFKKRUVWHCD-TZMCWYRMSA-N 1 0 235.758 3.617 20 30 BHEDRO C=CC[N@@H+](CCCCC(F)(F)F)C(C)C ZINC000751963600 585239984 /nfs/dbraw/zinc/23/99/84/585239984.db2.gz KQVHPEFMFXETPH-UHFFFAOYSA-N 1 0 223.282 3.615 20 30 BHEDRO C=CC[N@@H+](CCCSCC(C)C)C(C)C ZINC000751964567 585239893 /nfs/dbraw/zinc/23/98/93/585239893.db2.gz UNMFZIHUPVKIHX-UHFFFAOYSA-N 1 0 229.433 3.662 20 30 BHEDRO C=CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccncc1 ZINC000752079683 585241528 /nfs/dbraw/zinc/24/15/28/585241528.db2.gz KGDNAIROXYWLSY-GDBMZVCRSA-N 1 0 242.366 3.645 20 30 BHEDRO C=CC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccncc1 ZINC000752079684 585241396 /nfs/dbraw/zinc/24/13/96/585241396.db2.gz KGDNAIROXYWLSY-GOEBONIOSA-N 1 0 242.366 3.645 20 30 BHEDRO C=CC[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccncc1 ZINC000752079685 585241479 /nfs/dbraw/zinc/24/14/79/585241479.db2.gz KGDNAIROXYWLSY-HOCLYGCPSA-N 1 0 242.366 3.645 20 30 BHEDRO C=CC[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccncc1 ZINC000752079686 585241628 /nfs/dbraw/zinc/24/16/28/585241628.db2.gz KGDNAIROXYWLSY-ZBFHGGJFSA-N 1 0 242.366 3.645 20 30 BHEDRO C=C(C)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000752090464 585241865 /nfs/dbraw/zinc/24/18/65/585241865.db2.gz ZCWPOMOVBWMSFZ-UHFFFAOYSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CCCC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000752091703 585242407 /nfs/dbraw/zinc/24/24/07/585242407.db2.gz DFIVARNQLCPSQU-UHFFFAOYSA-N 1 0 247.357 3.971 20 30 BHEDRO C=C(C)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000752093984 585242256 /nfs/dbraw/zinc/24/22/56/585242256.db2.gz OPJZYUSROGRLQV-UHFFFAOYSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CCC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000752094943 585242240 /nfs/dbraw/zinc/24/22/40/585242240.db2.gz YTNDFMKTPIFUGN-UHFFFAOYSA-N 1 0 233.330 3.581 20 30 BHEDRO C=CCCC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000752096423 585242504 /nfs/dbraw/zinc/24/25/04/585242504.db2.gz GWYSNDGYSUTOOF-UHFFFAOYSA-N 1 0 247.357 3.971 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1cccc(C)n1 ZINC000752298254 585244807 /nfs/dbraw/zinc/24/48/07/585244807.db2.gz MDPWLXDDGKLVHE-UHFFFAOYSA-N 1 0 234.387 3.792 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000752795656 585250101 /nfs/dbraw/zinc/25/01/01/585250101.db2.gz DTOCJSADAXZNLL-HNNXBMFYSA-N 1 0 247.769 3.720 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000752795688 585250131 /nfs/dbraw/zinc/25/01/31/585250131.db2.gz DTOCJSADAXZNLL-OAHLLOKOSA-N 1 0 247.769 3.720 20 30 BHEDRO C#CCC[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000752855318 644603626 /nfs/dbraw/zinc/60/36/26/644603626.db2.gz IZLJMKVCEFTIEM-AWEZNQCLSA-N 1 0 231.339 3.528 20 30 BHEDRO C#CCC[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000752855319 644604086 /nfs/dbraw/zinc/60/40/86/644604086.db2.gz IZLJMKVCEFTIEM-CQSZACIVSA-N 1 0 231.339 3.528 20 30 BHEDRO C#CCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000752856001 585250834 /nfs/dbraw/zinc/25/08/34/585250834.db2.gz NSQLNVASFGYSDE-AWEZNQCLSA-N 1 0 233.742 3.500 20 30 BHEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000752856005 585250722 /nfs/dbraw/zinc/25/07/22/585250722.db2.gz NSQLNVASFGYSDE-CQSZACIVSA-N 1 0 233.742 3.500 20 30 BHEDRO C#CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000752857534 585250715 /nfs/dbraw/zinc/25/07/15/585250715.db2.gz RULPPVDAFYMWLQ-DOTOQJQBSA-N 1 0 241.378 3.525 20 30 BHEDRO C#CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000752857559 585250774 /nfs/dbraw/zinc/25/07/74/585250774.db2.gz RULPPVDAFYMWLQ-NVXWUHKLSA-N 1 0 241.378 3.525 20 30 BHEDRO C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000752857562 585250710 /nfs/dbraw/zinc/25/07/10/585250710.db2.gz RULPPVDAFYMWLQ-RDJZCZTQSA-N 1 0 241.378 3.525 20 30 BHEDRO C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000752857563 585250959 /nfs/dbraw/zinc/25/09/59/585250959.db2.gz RULPPVDAFYMWLQ-WBVHZDCISA-N 1 0 241.378 3.525 20 30 BHEDRO C#CCC[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000752858171 644603778 /nfs/dbraw/zinc/60/37/78/644603778.db2.gz XUTWHCNAGHKMAE-UHFFFAOYSA-N 1 0 235.758 3.574 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccncc1 ZINC000753669705 585266021 /nfs/dbraw/zinc/26/60/21/585266021.db2.gz NJIUBCGQAOBJQO-CABCVRRESA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccncc1 ZINC000753669720 585266109 /nfs/dbraw/zinc/26/61/09/585266109.db2.gz NJIUBCGQAOBJQO-GJZGRUSLSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccncc1 ZINC000753669721 585265987 /nfs/dbraw/zinc/26/59/87/585265987.db2.gz NJIUBCGQAOBJQO-HUUCEWRRSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccncc1 ZINC000753669723 585266039 /nfs/dbraw/zinc/26/60/39/585266039.db2.gz NJIUBCGQAOBJQO-LSDHHAIUSA-N 1 0 244.382 3.867 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753671313 585266181 /nfs/dbraw/zinc/26/61/81/585266181.db2.gz WUVWKEIWZZGDCU-CHWSQXEVSA-N 1 0 233.355 3.537 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753671314 585265977 /nfs/dbraw/zinc/26/59/77/585265977.db2.gz WUVWKEIWZZGDCU-OLZOCXBDSA-N 1 0 233.355 3.537 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753678100 585266409 /nfs/dbraw/zinc/26/64/09/585266409.db2.gz HDSAXANBIVWDLF-KBPBESRZSA-N 1 0 247.382 3.927 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753678101 585265986 /nfs/dbraw/zinc/26/59/86/585265986.db2.gz HDSAXANBIVWDLF-KGLIPLIRSA-N 1 0 247.382 3.927 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753678102 585266091 /nfs/dbraw/zinc/26/60/91/585266091.db2.gz HDSAXANBIVWDLF-UONOGXRCSA-N 1 0 247.382 3.927 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753678103 585266097 /nfs/dbraw/zinc/26/60/97/585266097.db2.gz HDSAXANBIVWDLF-ZIAGYGMSSA-N 1 0 247.382 3.927 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000753687863 585266197 /nfs/dbraw/zinc/26/61/97/585266197.db2.gz DIJLIDUXMUTJEX-CVEARBPZSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000753687864 585266429 /nfs/dbraw/zinc/26/64/29/585266429.db2.gz DIJLIDUXMUTJEX-HOTGVXAUSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000753687865 585266326 /nfs/dbraw/zinc/26/63/26/585266326.db2.gz DIJLIDUXMUTJEX-HZPDHXFCSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000753687866 585266430 /nfs/dbraw/zinc/26/64/30/585266430.db2.gz DIJLIDUXMUTJEX-JKSUJKDBSA-N 1 0 241.378 3.919 20 30 BHEDRO C=CCCCCC[N@@H+](C)CCC(=O)C(C)(C)C ZINC000753724797 585267594 /nfs/dbraw/zinc/26/75/94/585267594.db2.gz VIPWJBRTQHQOKG-UHFFFAOYSA-N 1 0 239.403 3.670 20 30 BHEDRO C#CCCC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000753854634 584907290 /nfs/dbraw/zinc/90/72/90/584907290.db2.gz VZTSZYRMPFWKCU-ACCUITESSA-N 1 0 247.769 3.746 20 30 BHEDRO C#CCCC[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000753854642 584907300 /nfs/dbraw/zinc/90/73/00/584907300.db2.gz VZTSZYRMPFWKCU-QBFSEMIESA-N 1 0 247.769 3.746 20 30 BHEDRO C=CC[C@H]([NH2+]C1CC(C(C)C)C1)c1ccncc1 ZINC000754089874 585277897 /nfs/dbraw/zinc/27/78/97/585277897.db2.gz VMRGZWUMLVDPNT-GPANFISMSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@@H]([NH2+]C1CC(C(C)C)C1)c1ccncc1 ZINC000754089881 585277878 /nfs/dbraw/zinc/27/78/78/585277878.db2.gz VMRGZWUMLVDPNT-UYSNPLJNSA-N 1 0 244.382 3.723 20 30 BHEDRO C#CC[C@H]([NH2+]C1CC(C(C)C)C1)c1ccccc1 ZINC000754105641 585278516 /nfs/dbraw/zinc/27/85/16/585278516.db2.gz WIBOLDINDCEDEP-JCYILVPMSA-N 1 0 241.378 3.775 20 30 BHEDRO C#CC[C@@H]([NH2+]C1CC(C(C)C)C1)c1ccccc1 ZINC000754105663 585278490 /nfs/dbraw/zinc/27/84/90/585278490.db2.gz WIBOLDINDCEDEP-OFLPRAFFSA-N 1 0 241.378 3.775 20 30 BHEDRO C#CCCC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000754143443 644609663 /nfs/dbraw/zinc/60/96/63/644609663.db2.gz MKQUQBIQSYMVJI-UHFFFAOYSA-N 1 0 233.399 3.738 20 30 BHEDRO C#CC[NH2+]C(c1cccc(C)c1)c1cccc(C)c1 ZINC000754315976 585282212 /nfs/dbraw/zinc/28/22/12/585282212.db2.gz UUOIDCRKLLASLM-UHFFFAOYSA-N 1 0 249.357 3.616 20 30 BHEDRO C=CC[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC000754353554 585282756 /nfs/dbraw/zinc/28/27/56/585282756.db2.gz IWDFHFYPTGBVTH-UHFFFAOYSA-N 1 0 237.302 3.862 20 30 BHEDRO CCCCCCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000754370022 585283226 /nfs/dbraw/zinc/28/32/26/585283226.db2.gz ASYHACPOTQXELW-AWEZNQCLSA-N 1 0 236.403 3.971 20 30 BHEDRO CCCCCCCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000754370031 585283170 /nfs/dbraw/zinc/28/31/70/585283170.db2.gz ASYHACPOTQXELW-CQSZACIVSA-N 1 0 236.403 3.971 20 30 BHEDRO CCCCCCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000754371133 585283274 /nfs/dbraw/zinc/28/32/74/585283274.db2.gz IPAWVCMWAMBBOT-CYBMUJFWSA-N 1 0 222.376 3.581 20 30 BHEDRO CCCCCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000754371134 585283246 /nfs/dbraw/zinc/28/32/46/585283246.db2.gz IPAWVCMWAMBBOT-ZDUSSCGKSA-N 1 0 222.376 3.581 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1csc2ccccc12 ZINC000754744316 585290203 /nfs/dbraw/zinc/29/02/03/585290203.db2.gz TZJBCYWXMBMGKB-GFCCVEGCSA-N 1 0 243.375 3.965 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1csc2ccccc12 ZINC000754744323 585290234 /nfs/dbraw/zinc/29/02/34/585290234.db2.gz TZJBCYWXMBMGKB-LBPRGKRZSA-N 1 0 243.375 3.965 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000755079403 585294309 /nfs/dbraw/zinc/29/43/09/585294309.db2.gz DPVXXUJWOOZMLE-AWEZNQCLSA-N 1 0 235.758 3.748 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000755079404 585294450 /nfs/dbraw/zinc/29/44/50/585294450.db2.gz DPVXXUJWOOZMLE-CQSZACIVSA-N 1 0 235.758 3.748 20 30 BHEDRO C=C(Cl)CN(C)C/C(C)=C/c1ccccc1 ZINC000755194756 585295955 /nfs/dbraw/zinc/29/59/55/585295955.db2.gz LBIDONBCGLERDO-FMIVXFBMSA-N 1 0 235.758 3.774 20 30 BHEDRO C=C(Cl)CN(C)C/C(C)=C\c1ccccc1 ZINC000755194759 585295968 /nfs/dbraw/zinc/29/59/68/585295968.db2.gz LBIDONBCGLERDO-XFXZXTDPSA-N 1 0 235.758 3.774 20 30 BHEDRO C#CCCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000755242760 585296729 /nfs/dbraw/zinc/29/67/29/585296729.db2.gz IRXMVAHKXNFDCN-UHFFFAOYSA-N 1 0 241.378 3.545 20 30 BHEDRO CCCCCCC=[NH+]n1cnc2ccccc21 ZINC000755611599 585302426 /nfs/dbraw/zinc/30/24/26/585302426.db2.gz FUASQEHBXHNNAO-UHFFFAOYSA-N 1 0 229.327 3.841 20 30 BHEDRO CC(C)C[N@@H+](CCC#N)CCCC1CCCC1 ZINC000755948367 585311325 /nfs/dbraw/zinc/31/13/25/585311325.db2.gz IKYBJMWCBDDQCC-UHFFFAOYSA-N 1 0 236.403 3.828 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000756037639 585313363 /nfs/dbraw/zinc/31/33/63/585313363.db2.gz SPPXISQFENGMCZ-CYBMUJFWSA-N 1 0 241.334 3.805 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000756037642 585313361 /nfs/dbraw/zinc/31/33/61/585313361.db2.gz SPPXISQFENGMCZ-ZDUSSCGKSA-N 1 0 241.334 3.805 20 30 BHEDRO C=C(Cl)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000756056582 585313889 /nfs/dbraw/zinc/31/38/89/585313889.db2.gz DQHMHBOAVYQTTH-UHFFFAOYSA-N 1 0 215.768 3.640 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000756608149 585321634 /nfs/dbraw/zinc/32/16/34/585321634.db2.gz HPJNMZWRBZTPLD-INIZCTEOSA-N 1 0 245.366 3.822 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000756608157 585321648 /nfs/dbraw/zinc/32/16/48/585321648.db2.gz HPJNMZWRBZTPLD-MRXNPFEDSA-N 1 0 245.366 3.822 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000756613206 585321643 /nfs/dbraw/zinc/32/16/43/585321643.db2.gz ZHXHEDYVOUEYPD-HNNXBMFYSA-N 1 0 247.769 3.720 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000756613207 585321672 /nfs/dbraw/zinc/32/16/72/585321672.db2.gz ZHXHEDYVOUEYPD-OAHLLOKOSA-N 1 0 247.769 3.720 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756713894 585322576 /nfs/dbraw/zinc/32/25/76/585322576.db2.gz WGXXQBUILRSSBQ-JBLDHEPKSA-N 1 0 249.329 3.634 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756713895 585322695 /nfs/dbraw/zinc/32/26/95/585322695.db2.gz WGXXQBUILRSSBQ-JFGNBEQYSA-N 1 0 249.329 3.634 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756713896 585322562 /nfs/dbraw/zinc/32/25/62/585322562.db2.gz WGXXQBUILRSSBQ-NHCYSSNCSA-N 1 0 249.329 3.634 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756713897 585322543 /nfs/dbraw/zinc/32/25/43/585322543.db2.gz WGXXQBUILRSSBQ-SCVCMEIPSA-N 1 0 249.329 3.634 20 30 BHEDRO C#CCCCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000756758032 644629462 /nfs/dbraw/zinc/62/94/62/644629462.db2.gz QDDVUHISMYNJLN-INIZCTEOSA-N 1 0 245.366 3.822 20 30 BHEDRO C#CCCCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000756758033 644629822 /nfs/dbraw/zinc/62/98/22/644629822.db2.gz QDDVUHISMYNJLN-MRXNPFEDSA-N 1 0 245.366 3.822 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)CCC=C)c1ccccc1 ZINC000756777566 585323009 /nfs/dbraw/zinc/32/30/09/585323009.db2.gz ZTYYDWVYYGGXRS-GDBMZVCRSA-N 1 0 227.351 3.695 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)CCC=C)c1ccccc1 ZINC000756777567 585322942 /nfs/dbraw/zinc/32/29/42/585322942.db2.gz ZTYYDWVYYGGXRS-GOEBONIOSA-N 1 0 227.351 3.695 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)CCC=C)c1ccccc1 ZINC000756777568 585322924 /nfs/dbraw/zinc/32/29/24/585322924.db2.gz ZTYYDWVYYGGXRS-HOCLYGCPSA-N 1 0 227.351 3.695 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)CCC=C)c1ccccc1 ZINC000756777569 585322939 /nfs/dbraw/zinc/32/29/39/585322939.db2.gz ZTYYDWVYYGGXRS-ZBFHGGJFSA-N 1 0 227.351 3.695 20 30 BHEDRO C#CC[N@H+](C/C=C/c1ccccc1)C1CCCC1 ZINC000756912488 585325038 /nfs/dbraw/zinc/32/50/38/585325038.db2.gz XKDBXNCOLNWPAI-DHZHZOJOSA-N 1 0 239.362 3.578 20 30 BHEDRO C#CC[N@H+](C/C=C\c1ccccc1)C1CCCC1 ZINC000756912489 585325104 /nfs/dbraw/zinc/32/51/04/585325104.db2.gz XKDBXNCOLNWPAI-FLIBITNWSA-N 1 0 239.362 3.578 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000756928851 585325156 /nfs/dbraw/zinc/32/51/56/585325156.db2.gz VYGFTAQDNQICBP-CYBMUJFWSA-N 1 0 247.407 3.863 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000756928894 585325142 /nfs/dbraw/zinc/32/51/42/585325142.db2.gz VYGFTAQDNQICBP-ZDUSSCGKSA-N 1 0 247.407 3.863 20 30 BHEDRO C#CCCCC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000756987564 585325861 /nfs/dbraw/zinc/32/58/61/585325861.db2.gz LKSLZSIEZHRNQN-UHFFFAOYSA-N 1 0 249.785 3.850 20 30 BHEDRO C#CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccccc1 ZINC000756994969 585326076 /nfs/dbraw/zinc/32/60/76/585326076.db2.gz AFVARVQUNPCYPJ-GOSISDBHSA-N 1 0 249.357 3.849 20 30 BHEDRO C#CC[C@H]([NH2+]Cc1ccc(C)cc1)c1ccccc1 ZINC000756994970 585326066 /nfs/dbraw/zinc/32/60/66/585326066.db2.gz AFVARVQUNPCYPJ-SFHVURJKSA-N 1 0 249.357 3.849 20 30 BHEDRO C#CC[C@@H]([NH2+]Cc1cccc(C)c1)c1ccccc1 ZINC000756995861 585326286 /nfs/dbraw/zinc/32/62/86/585326286.db2.gz KPRNMOZDVCLMCY-GOSISDBHSA-N 1 0 249.357 3.849 20 30 BHEDRO C#CC[C@H]([NH2+]Cc1cccc(C)c1)c1ccccc1 ZINC000756995862 585326247 /nfs/dbraw/zinc/32/62/47/585326247.db2.gz KPRNMOZDVCLMCY-SFHVURJKSA-N 1 0 249.357 3.849 20 30 BHEDRO C#CC[C@@H]([NH2+]Cc1ccccc1C)c1ccccc1 ZINC000756995908 585326295 /nfs/dbraw/zinc/32/62/95/585326295.db2.gz MGKKVDDZKSTTLH-GOSISDBHSA-N 1 0 249.357 3.849 20 30 BHEDRO C#CC[C@H]([NH2+]Cc1ccccc1C)c1ccccc1 ZINC000756995909 585326170 /nfs/dbraw/zinc/32/61/70/585326170.db2.gz MGKKVDDZKSTTLH-SFHVURJKSA-N 1 0 249.357 3.849 20 30 BHEDRO C#CC[C@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000756996561 585326308 /nfs/dbraw/zinc/32/63/08/585326308.db2.gz GZPWTPFCSJVCKW-HNNXBMFYSA-N 1 0 241.359 3.602 20 30 BHEDRO C#CC[C@@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000756996570 585326071 /nfs/dbraw/zinc/32/60/71/585326071.db2.gz GZPWTPFCSJVCKW-OAHLLOKOSA-N 1 0 241.359 3.602 20 30 BHEDRO C#CC[C@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000756996837 585326122 /nfs/dbraw/zinc/32/61/22/585326122.db2.gz SEAPBLBPFOJUBU-HNNXBMFYSA-N 1 0 241.359 3.602 20 30 BHEDRO C#CC[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000756996838 585326191 /nfs/dbraw/zinc/32/61/91/585326191.db2.gz SEAPBLBPFOJUBU-OAHLLOKOSA-N 1 0 241.359 3.602 20 30 BHEDRO C#CC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000756996840 585326188 /nfs/dbraw/zinc/32/61/88/585326188.db2.gz SGAAZOQVAFODCD-DOTOQJQBSA-N 1 0 239.362 3.697 20 30 BHEDRO C#CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000756996841 585326131 /nfs/dbraw/zinc/32/61/31/585326131.db2.gz SGAAZOQVAFODCD-NVXWUHKLSA-N 1 0 239.362 3.697 20 30 BHEDRO C#CC[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000756996842 585326297 /nfs/dbraw/zinc/32/62/97/585326297.db2.gz SGAAZOQVAFODCD-RDJZCZTQSA-N 1 0 239.362 3.697 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757147303 643326341 /nfs/dbraw/zinc/32/63/41/643326341.db2.gz BEISYHPKPDRMRV-UHFFFAOYSA-N 1 0 223.747 3.703 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757150803 586428847 /nfs/dbraw/zinc/42/88/47/586428847.db2.gz FYEHYNVUPFEDFI-UHFFFAOYSA-N 1 0 223.747 3.704 20 30 BHEDRO CCCCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C#N ZINC000757906227 585346645 /nfs/dbraw/zinc/34/66/45/585346645.db2.gz LOWURFBQXZKTSO-KFWWJZLASA-N 1 0 236.403 3.875 20 30 BHEDRO CCCCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C#N ZINC000757906233 585346661 /nfs/dbraw/zinc/34/66/61/585346661.db2.gz LOWURFBQXZKTSO-RBSFLKMASA-N 1 0 236.403 3.875 20 30 BHEDRO CCCCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C#N ZINC000757906236 585346824 /nfs/dbraw/zinc/34/68/24/585346824.db2.gz LOWURFBQXZKTSO-RRFJBIMHSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C#N ZINC000757906238 585346699 /nfs/dbraw/zinc/34/66/99/585346699.db2.gz LOWURFBQXZKTSO-ZNMIVQPWSA-N 1 0 236.403 3.875 20 30 BHEDRO C#CCCCC[NH2+]Cc1ccc(CCC)cc1 ZINC000758496648 585356461 /nfs/dbraw/zinc/35/64/61/585356461.db2.gz FPYNIZCFKFIOHF-UHFFFAOYSA-N 1 0 229.367 3.532 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCCC12CCCCC2 ZINC000759397677 585372051 /nfs/dbraw/zinc/37/20/51/585372051.db2.gz YEILQRRSNACIJY-UHFFFAOYSA-N 1 0 213.752 3.538 20 30 BHEDRO CCCCCCCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000759458673 585373582 /nfs/dbraw/zinc/37/35/82/585373582.db2.gz BRESEAYUTJJWNC-KBPBESRZSA-N 1 0 241.419 3.581 20 30 BHEDRO CCCCCCCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000759458674 585373570 /nfs/dbraw/zinc/37/35/70/585373570.db2.gz BRESEAYUTJJWNC-QDMKHBRRSA-N 1 0 241.419 3.581 20 30 BHEDRO CCCCCCCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000759458675 585373554 /nfs/dbraw/zinc/37/35/54/585373554.db2.gz BRESEAYUTJJWNC-ZIAGYGMSSA-N 1 0 241.419 3.581 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000760002124 585383880 /nfs/dbraw/zinc/38/38/80/585383880.db2.gz VWFSVCHSWQXXRT-AWEZNQCLSA-N 1 0 241.419 3.894 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000760002129 585383821 /nfs/dbraw/zinc/38/38/21/585383821.db2.gz VWFSVCHSWQXXRT-CQSZACIVSA-N 1 0 241.419 3.894 20 30 BHEDRO C#CC[NH2+]C(c1ccccc1C)c1ccccc1C ZINC000760575124 712410630 /nfs/dbraw/zinc/41/06/30/712410630.db2.gz FIRUTIGIAPGVBF-UHFFFAOYSA-N 1 0 249.357 3.616 20 30 BHEDRO C#CCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000760808473 585397630 /nfs/dbraw/zinc/39/76/30/585397630.db2.gz KLPIKQICJIALRC-AWEZNQCLSA-N 1 0 233.742 3.500 20 30 BHEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000760808477 585397446 /nfs/dbraw/zinc/39/74/46/585397446.db2.gz KLPIKQICJIALRC-CQSZACIVSA-N 1 0 233.742 3.500 20 30 BHEDRO C#CCC[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000760817146 585397695 /nfs/dbraw/zinc/39/76/95/585397695.db2.gz CDOLZBWVTCXGTR-CYBMUJFWSA-N 1 0 241.334 3.839 20 30 BHEDRO C#CCC[N@@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000760817147 585397689 /nfs/dbraw/zinc/39/76/89/585397689.db2.gz CDOLZBWVTCXGTR-ZDUSSCGKSA-N 1 0 241.334 3.839 20 30 BHEDRO C#CCC[N@@H+](CCCC)[C@@H](C)c1ccccc1 ZINC000760818488 585397858 /nfs/dbraw/zinc/39/78/58/585397858.db2.gz FJCNJHIKYCEONX-HNNXBMFYSA-N 1 0 229.367 3.873 20 30 BHEDRO C#CCC[N@@H+](CCCC)[C@H](C)c1ccccc1 ZINC000760818490 585397983 /nfs/dbraw/zinc/39/79/83/585397983.db2.gz FJCNJHIKYCEONX-OAHLLOKOSA-N 1 0 229.367 3.873 20 30 BHEDRO C#CCC[N@@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000760818530 585397920 /nfs/dbraw/zinc/39/79/20/585397920.db2.gz GCPIXUCQNZNUCQ-AWEZNQCLSA-N 1 0 233.355 3.774 20 30 BHEDRO C#CCC[N@@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000760818532 585397940 /nfs/dbraw/zinc/39/79/40/585397940.db2.gz GCPIXUCQNZNUCQ-CQSZACIVSA-N 1 0 233.355 3.774 20 30 BHEDRO C#CCC[N@H+]1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000760819394 585397869 /nfs/dbraw/zinc/39/78/69/585397869.db2.gz JIELWKRRDWOWKO-DLBZAZTESA-N 1 0 241.378 3.668 20 30 BHEDRO C#CCC[N@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000760819396 585397747 /nfs/dbraw/zinc/39/77/47/585397747.db2.gz JIELWKRRDWOWKO-IAGOWNOFSA-N 1 0 241.378 3.668 20 30 BHEDRO C#CCC[N@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000760819398 585398038 /nfs/dbraw/zinc/39/80/38/585398038.db2.gz JIELWKRRDWOWKO-IRXDYDNUSA-N 1 0 241.378 3.668 20 30 BHEDRO C#CCC[N@H+]1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000760819401 585397808 /nfs/dbraw/zinc/39/78/08/585397808.db2.gz JIELWKRRDWOWKO-SJORKVTESA-N 1 0 241.378 3.668 20 30 BHEDRO C#CCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000760819608 585398027 /nfs/dbraw/zinc/39/80/27/585398027.db2.gz SXBZOBWKZDYGPM-INIZCTEOSA-N 1 0 227.351 3.627 20 30 BHEDRO C#CCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000760819610 585398060 /nfs/dbraw/zinc/39/80/60/585398060.db2.gz SXBZOBWKZDYGPM-MRXNPFEDSA-N 1 0 227.351 3.627 20 30 BHEDRO C#CCC[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000760819644 585398042 /nfs/dbraw/zinc/39/80/42/585398042.db2.gz NKAGJWQJASGZCZ-UHFFFAOYSA-N 1 0 237.346 3.685 20 30 BHEDRO C#CCC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000760819766 585397918 /nfs/dbraw/zinc/39/79/18/585397918.db2.gz OPDOCPNJLVRYDW-UHFFFAOYSA-N 1 0 221.388 3.546 20 30 BHEDRO C#CCC[N@@H+](CCC)[C@@H](CC)c1ccccc1 ZINC000760820063 585398009 /nfs/dbraw/zinc/39/80/09/585398009.db2.gz NTSQSKJMEMUQEK-INIZCTEOSA-N 1 0 229.367 3.873 20 30 BHEDRO C#CCC[N@@H+](CCC)[C@H](CC)c1ccccc1 ZINC000760820065 585397990 /nfs/dbraw/zinc/39/79/90/585397990.db2.gz NTSQSKJMEMUQEK-MRXNPFEDSA-N 1 0 229.367 3.873 20 30 BHEDRO C#CCC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000760822565 585397836 /nfs/dbraw/zinc/39/78/36/585397836.db2.gz WYPLMSFTPRXESF-UHFFFAOYSA-N 1 0 249.357 3.828 20 30 BHEDRO C#CCC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000760830918 585398166 /nfs/dbraw/zinc/39/81/66/585398166.db2.gz PCZMTTHQKUYJGD-UHFFFAOYSA-N 1 0 229.367 3.558 20 30 BHEDRO C#CCC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000760840307 584908471 /nfs/dbraw/zinc/90/84/71/584908471.db2.gz DSQBNCDLSSIWNO-DLBZAZTESA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000760840319 584908478 /nfs/dbraw/zinc/90/84/78/584908478.db2.gz DSQBNCDLSSIWNO-IAGOWNOFSA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCC[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000760840327 584908482 /nfs/dbraw/zinc/90/84/82/584908482.db2.gz DSQBNCDLSSIWNO-IRXDYDNUSA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000760840338 584908486 /nfs/dbraw/zinc/90/84/86/584908486.db2.gz DSQBNCDLSSIWNO-SJORKVTESA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000760841302 585398801 /nfs/dbraw/zinc/39/88/01/585398801.db2.gz NLKNYEGSYYHSGE-DZGCQCFKSA-N 1 0 245.366 3.638 20 30 BHEDRO C#CCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC000760841304 585398788 /nfs/dbraw/zinc/39/87/88/585398788.db2.gz NLKNYEGSYYHSGE-HIFRSBDPSA-N 1 0 245.366 3.638 20 30 BHEDRO C#CCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000760841305 585398948 /nfs/dbraw/zinc/39/89/48/585398948.db2.gz NLKNYEGSYYHSGE-UKRRQHHQSA-N 1 0 245.366 3.638 20 30 BHEDRO C#CCC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000760841307 585398871 /nfs/dbraw/zinc/39/88/71/585398871.db2.gz NLKNYEGSYYHSGE-ZFWWWQNUSA-N 1 0 245.366 3.638 20 30 BHEDRO C#CCC[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000760843167 585399510 /nfs/dbraw/zinc/39/95/10/585399510.db2.gz HUOBXKJJFBNTAN-HNNXBMFYSA-N 1 0 241.378 3.873 20 30 BHEDRO C#CCC[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000760843169 585399184 /nfs/dbraw/zinc/39/91/84/585399184.db2.gz HUOBXKJJFBNTAN-OAHLLOKOSA-N 1 0 241.378 3.873 20 30 BHEDRO C#CCC[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000760843913 585399432 /nfs/dbraw/zinc/39/94/32/585399432.db2.gz RQLRWIMUXKBBMW-CHWSQXEVSA-N 1 0 249.785 3.787 20 30 BHEDRO C#CCC[N@@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000760843916 585399182 /nfs/dbraw/zinc/39/91/82/585399182.db2.gz RQLRWIMUXKBBMW-OLZOCXBDSA-N 1 0 249.785 3.787 20 30 BHEDRO C#CCC[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000760843920 585399321 /nfs/dbraw/zinc/39/93/21/585399321.db2.gz RQLRWIMUXKBBMW-QWHCGFSZSA-N 1 0 249.785 3.787 20 30 BHEDRO C#CCC[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000760843925 585399083 /nfs/dbraw/zinc/39/90/83/585399083.db2.gz RQLRWIMUXKBBMW-STQMWFEESA-N 1 0 249.785 3.787 20 30 BHEDRO C#CCC[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000760844212 585399329 /nfs/dbraw/zinc/39/93/29/585399329.db2.gz NNUFBXRMZFSYKC-INIZCTEOSA-N 1 0 227.351 3.545 20 30 BHEDRO C#CCC[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000760844214 585399296 /nfs/dbraw/zinc/39/92/96/585399296.db2.gz NNUFBXRMZFSYKC-MRXNPFEDSA-N 1 0 227.351 3.545 20 30 BHEDRO C#CCC[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000760852607 585399902 /nfs/dbraw/zinc/39/99/02/585399902.db2.gz TWNBCBVRNPTJLR-GFCCVEGCSA-N 1 0 247.769 3.889 20 30 BHEDRO C#CCC[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000760852611 585400013 /nfs/dbraw/zinc/40/00/13/585400013.db2.gz TWNBCBVRNPTJLR-LBPRGKRZSA-N 1 0 247.769 3.889 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000760854703 585400173 /nfs/dbraw/zinc/40/01/73/585400173.db2.gz CSUVUXPFWSCVFM-INIZCTEOSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000760854704 585400139 /nfs/dbraw/zinc/40/01/39/585400139.db2.gz CSUVUXPFWSCVFM-MRXNPFEDSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000760857763 585400146 /nfs/dbraw/zinc/40/01/46/585400146.db2.gz YLTRYZBQQIZMFR-UHFFFAOYSA-N 1 0 245.341 3.594 20 30 BHEDRO C#CCC[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000760858076 585400137 /nfs/dbraw/zinc/40/01/37/585400137.db2.gz WXWBZJUDJWTSAN-UHFFFAOYSA-N 1 0 229.367 3.658 20 30 BHEDRO C#CCC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000760859262 585400092 /nfs/dbraw/zinc/40/00/92/585400092.db2.gz GJCBPACUWZGUMU-UHFFFAOYSA-N 1 0 247.341 3.712 20 30 BHEDRO C#CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000760860854 585400314 /nfs/dbraw/zinc/40/03/14/585400314.db2.gz SLZIWNIOYYTZSJ-HNNXBMFYSA-N 1 0 249.304 3.515 20 30 BHEDRO C#CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000760860856 585400404 /nfs/dbraw/zinc/40/04/04/585400404.db2.gz SLZIWNIOYYTZSJ-OAHLLOKOSA-N 1 0 249.304 3.515 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761039819 585403791 /nfs/dbraw/zinc/40/37/91/585403791.db2.gz FQNBAOYTGFAOTL-LLVKDONJSA-N 1 0 237.309 3.841 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761039822 585403653 /nfs/dbraw/zinc/40/36/53/585403653.db2.gz FQNBAOYTGFAOTL-NSHDSACASA-N 1 0 237.309 3.841 20 30 BHEDRO CCCCCCCC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000761107362 585409649 /nfs/dbraw/zinc/40/96/49/585409649.db2.gz DULZJGWTJPUORU-GFCCVEGCSA-N 1 0 233.346 3.934 20 30 BHEDRO CCCCCCCC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000761107369 585409945 /nfs/dbraw/zinc/40/99/45/585409945.db2.gz DULZJGWTJPUORU-LBPRGKRZSA-N 1 0 233.346 3.934 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000761111510 585410067 /nfs/dbraw/zinc/41/00/67/585410067.db2.gz YPWHPTRUGACOLE-LLVKDONJSA-N 1 0 219.319 3.544 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000761111515 585410064 /nfs/dbraw/zinc/41/00/64/585410064.db2.gz YPWHPTRUGACOLE-NSHDSACASA-N 1 0 219.319 3.544 20 30 BHEDRO CCCCCCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000761115254 585410639 /nfs/dbraw/zinc/41/06/39/585410639.db2.gz QESUIBPZPNDIEO-UHFFFAOYSA-N 1 0 231.330 3.688 20 30 BHEDRO C=CCCCSCC[NH+](C(C)C)C(C)C ZINC000762203821 585428928 /nfs/dbraw/zinc/42/89/28/585428928.db2.gz JCVIUKNOPYSDTE-UHFFFAOYSA-N 1 0 229.433 3.805 20 30 BHEDRO C=C(Cl)CSCC[NH+](C(C)C)C(C)C ZINC000762204234 585428832 /nfs/dbraw/zinc/42/88/32/585428832.db2.gz SJKUNXMRKXERQC-UHFFFAOYSA-N 1 0 235.824 3.591 20 30 BHEDRO C[N@H+](CCC(C)(C)C#N)C1CCCCCCC1 ZINC000762378740 585431328 /nfs/dbraw/zinc/43/13/28/585431328.db2.gz SSACCSAELASSIY-UHFFFAOYSA-N 1 0 236.403 3.971 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000762475173 585432869 /nfs/dbraw/zinc/43/28/69/585432869.db2.gz JKBGDYDKEINVJI-HNNXBMFYSA-N 1 0 247.769 3.720 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000762475175 585432746 /nfs/dbraw/zinc/43/27/46/585432746.db2.gz JKBGDYDKEINVJI-OAHLLOKOSA-N 1 0 247.769 3.720 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000762635158 585434581 /nfs/dbraw/zinc/43/45/81/585434581.db2.gz RNQOXEKDXOCFEA-AWEZNQCLSA-N 1 0 235.758 3.966 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762635160 585434479 /nfs/dbraw/zinc/43/44/79/585434479.db2.gz RNQOXEKDXOCFEA-CQSZACIVSA-N 1 0 235.758 3.966 20 30 BHEDRO C#CCCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000762636414 585434969 /nfs/dbraw/zinc/43/49/69/585434969.db2.gz YJHVGTGNXRWGOB-INIZCTEOSA-N 1 0 227.351 3.627 20 30 BHEDRO C#CCCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762636415 585434826 /nfs/dbraw/zinc/43/48/26/585434826.db2.gz YJHVGTGNXRWGOB-MRXNPFEDSA-N 1 0 227.351 3.627 20 30 BHEDRO C#CCC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000764231525 585462205 /nfs/dbraw/zinc/46/22/05/585462205.db2.gz GAMPPIQJKZRRBV-KRWDZBQOSA-N 1 0 239.362 3.552 20 30 BHEDRO C#CCC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000764231527 584926456 /nfs/dbraw/zinc/92/64/56/584926456.db2.gz GAMPPIQJKZRRBV-QGZVFWFLSA-N 1 0 239.362 3.552 20 30 BHEDRO C#CCC[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000764234486 585462197 /nfs/dbraw/zinc/46/21/97/585462197.db2.gz RABFBMJHMDEZQO-GFCCVEGCSA-N 1 0 247.769 3.889 20 30 BHEDRO C#CCC[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000764234489 585462326 /nfs/dbraw/zinc/46/23/26/585462326.db2.gz RABFBMJHMDEZQO-LBPRGKRZSA-N 1 0 247.769 3.889 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000764236685 585462270 /nfs/dbraw/zinc/46/22/70/585462270.db2.gz XTMRCZHHONGQAT-AWEZNQCLSA-N 1 0 233.330 3.526 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000764236686 585462325 /nfs/dbraw/zinc/46/23/25/585462325.db2.gz XTMRCZHHONGQAT-CQSZACIVSA-N 1 0 233.330 3.526 20 30 BHEDRO C#CCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000764236690 585462299 /nfs/dbraw/zinc/46/22/99/585462299.db2.gz XVOQPONUBSMTRD-UHFFFAOYSA-N 1 0 247.341 3.693 20 30 BHEDRO C#CCC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000764236977 584926349 /nfs/dbraw/zinc/92/63/49/584926349.db2.gz ZFLKBTQUVHUJLT-UHFFFAOYSA-N 1 0 249.357 3.809 20 30 BHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCC)cc1 ZINC000764435433 585465734 /nfs/dbraw/zinc/46/57/34/585465734.db2.gz NDYMATOMAGXMRM-KBPBESRZSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CCC)cc1 ZINC000764435435 585465657 /nfs/dbraw/zinc/46/56/57/585465657.db2.gz NDYMATOMAGXMRM-KGLIPLIRSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCC)cc1 ZINC000764435437 585465575 /nfs/dbraw/zinc/46/55/75/585465575.db2.gz NDYMATOMAGXMRM-UONOGXRCSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCC)cc1 ZINC000764435439 585465705 /nfs/dbraw/zinc/46/57/05/585465705.db2.gz NDYMATOMAGXMRM-ZIAGYGMSSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C(CC)CC)cc1 ZINC000764486438 585466379 /nfs/dbraw/zinc/46/63/79/585466379.db2.gz CHBZUUCVNJQIFA-CYBMUJFWSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCOc1ccc([C@H](C)[NH2+]C(CC)CC)cc1 ZINC000764486442 585466490 /nfs/dbraw/zinc/46/64/90/585466490.db2.gz CHBZUUCVNJQIFA-ZDUSSCGKSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCCC)cc1 ZINC000764524287 585467431 /nfs/dbraw/zinc/46/74/31/585467431.db2.gz PUIBGRXBAHFOQJ-AWEZNQCLSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCCCC)cc1 ZINC000764524288 585467314 /nfs/dbraw/zinc/46/73/14/585467314.db2.gz PUIBGRXBAHFOQJ-CQSZACIVSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000764600144 585468709 /nfs/dbraw/zinc/46/87/09/585468709.db2.gz WKVLTYMVKLBQFJ-GOSISDBHSA-N 1 0 249.357 3.583 20 30 BHEDRO C#CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000764600145 585468514 /nfs/dbraw/zinc/46/85/14/585468514.db2.gz WKVLTYMVKLBQFJ-SFHVURJKSA-N 1 0 249.357 3.583 20 30 BHEDRO CCCCCCC[C@H]([NH2+]CCO)c1ccccc1 ZINC000764636051 585469589 /nfs/dbraw/zinc/46/95/89/585469589.db2.gz QLSLHTGACWRDGF-INIZCTEOSA-N 1 0 249.398 3.670 20 30 BHEDRO CCCCCCC[C@@H]([NH2+]CCO)c1ccccc1 ZINC000764636052 585469775 /nfs/dbraw/zinc/46/97/75/585469775.db2.gz QLSLHTGACWRDGF-MRXNPFEDSA-N 1 0 249.398 3.670 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000764737913 712412389 /nfs/dbraw/zinc/41/23/89/712412389.db2.gz KCJYDTHEGLGRTM-AAEUAGOBSA-N 1 0 235.346 3.824 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000764737914 712412499 /nfs/dbraw/zinc/41/24/99/712412499.db2.gz KCJYDTHEGLGRTM-DGCLKSJQSA-N 1 0 235.346 3.824 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000764737916 712412513 /nfs/dbraw/zinc/41/25/13/712412513.db2.gz KCJYDTHEGLGRTM-WCQYABFASA-N 1 0 235.346 3.824 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000764737917 712412440 /nfs/dbraw/zinc/41/24/40/712412440.db2.gz KCJYDTHEGLGRTM-YPMHNXCESA-N 1 0 235.346 3.824 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)Cc1ccco1 ZINC000764772071 585472945 /nfs/dbraw/zinc/47/29/45/585472945.db2.gz XOBNXWFLUWBWRO-KBPBESRZSA-N 1 0 235.371 3.935 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)Cc1ccco1 ZINC000764772072 585473117 /nfs/dbraw/zinc/47/31/17/585473117.db2.gz XOBNXWFLUWBWRO-KGLIPLIRSA-N 1 0 235.371 3.935 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)Cc1ccco1 ZINC000764772073 585472953 /nfs/dbraw/zinc/47/29/53/585472953.db2.gz XOBNXWFLUWBWRO-UONOGXRCSA-N 1 0 235.371 3.935 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)Cc1ccco1 ZINC000764772074 585473077 /nfs/dbraw/zinc/47/30/77/585473077.db2.gz XOBNXWFLUWBWRO-ZIAGYGMSSA-N 1 0 235.371 3.935 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000764817229 585474649 /nfs/dbraw/zinc/47/46/49/585474649.db2.gz SKMGGOPKQOCPCN-UHFFFAOYSA-N 1 0 246.398 3.541 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000764961163 644660607 /nfs/dbraw/zinc/66/06/07/644660607.db2.gz RHRSEZRPPFPWCT-HNNXBMFYSA-N 1 0 249.304 3.515 20 30 BHEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000764961164 644660550 /nfs/dbraw/zinc/66/05/50/644660550.db2.gz RHRSEZRPPFPWCT-OAHLLOKOSA-N 1 0 249.304 3.515 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc(C#N)cc1 ZINC000765013307 585479278 /nfs/dbraw/zinc/47/92/78/585479278.db2.gz HATFDIXVVUNWIV-INIZCTEOSA-N 1 0 242.366 3.783 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C#N)cc1 ZINC000765013313 585479284 /nfs/dbraw/zinc/47/92/84/585479284.db2.gz HATFDIXVVUNWIV-MRXNPFEDSA-N 1 0 242.366 3.783 20 30 BHEDRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015025 585479648 /nfs/dbraw/zinc/47/96/48/585479648.db2.gz MFNBSRWLYMGNRT-BBRMVZONSA-N 1 0 244.382 3.863 20 30 BHEDRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015026 585479684 /nfs/dbraw/zinc/47/96/84/585479684.db2.gz MFNBSRWLYMGNRT-CJNGLKHVSA-N 1 0 244.382 3.863 20 30 BHEDRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015027 585479636 /nfs/dbraw/zinc/47/96/36/585479636.db2.gz MFNBSRWLYMGNRT-CZUORRHYSA-N 1 0 244.382 3.863 20 30 BHEDRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015028 585479702 /nfs/dbraw/zinc/47/97/02/585479702.db2.gz MFNBSRWLYMGNRT-XJKSGUPXSA-N 1 0 244.382 3.863 20 30 BHEDRO C#CC[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000765067657 585480634 /nfs/dbraw/zinc/48/06/34/585480634.db2.gz NSZXNNQZESFPMZ-LLVKDONJSA-N 1 0 243.737 3.777 20 30 BHEDRO C#CC[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000765067659 585480665 /nfs/dbraw/zinc/48/06/65/585480665.db2.gz NSZXNNQZESFPMZ-NSHDSACASA-N 1 0 243.737 3.777 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)COc1ccccc1 ZINC000765435013 585486195 /nfs/dbraw/zinc/48/61/95/585486195.db2.gz AEOXVQWMKULJAT-KKUMJFAQSA-N 1 0 247.382 3.644 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)COc1ccccc1 ZINC000765435015 585486210 /nfs/dbraw/zinc/48/62/10/585486210.db2.gz AEOXVQWMKULJAT-RRFJBIMHSA-N 1 0 247.382 3.644 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)COc1ccccc1 ZINC000765435017 585486310 /nfs/dbraw/zinc/48/63/10/585486310.db2.gz AEOXVQWMKULJAT-SOUVJXGZSA-N 1 0 247.382 3.644 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)COc1ccccc1 ZINC000765435019 585486291 /nfs/dbraw/zinc/48/62/91/585486291.db2.gz AEOXVQWMKULJAT-ZNMIVQPWSA-N 1 0 247.382 3.644 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)s1 ZINC000765928902 585493902 /nfs/dbraw/zinc/49/39/02/585493902.db2.gz ORYYCWSZFTZJTL-AVGNSLFASA-N 1 0 248.395 3.790 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)s1 ZINC000765928907 585494054 /nfs/dbraw/zinc/49/40/54/585494054.db2.gz ORYYCWSZFTZJTL-RWMBFGLXSA-N 1 0 248.395 3.790 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)s1 ZINC000765928908 585494041 /nfs/dbraw/zinc/49/40/41/585494041.db2.gz ORYYCWSZFTZJTL-XQQFMLRXSA-N 1 0 248.395 3.790 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000765928910 585494065 /nfs/dbraw/zinc/49/40/65/585494065.db2.gz ORYYCWSZFTZJTL-YNEHKIRRSA-N 1 0 248.395 3.790 20 30 BHEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccncc1 ZINC000766017816 585496022 /nfs/dbraw/zinc/49/60/22/585496022.db2.gz DWWSGSPFCPEDSY-GXTWGEPZSA-N 1 0 242.322 3.643 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccncc1 ZINC000766017821 585496019 /nfs/dbraw/zinc/49/60/19/585496019.db2.gz DWWSGSPFCPEDSY-JSGCOSHPSA-N 1 0 242.322 3.643 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](C)c1ccco1)c1ccncc1 ZINC000766017822 585496154 /nfs/dbraw/zinc/49/61/54/585496154.db2.gz DWWSGSPFCPEDSY-OCCSQVGLSA-N 1 0 242.322 3.643 20 30 BHEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccncc1 ZINC000766017824 585496049 /nfs/dbraw/zinc/49/60/49/585496049.db2.gz DWWSGSPFCPEDSY-TZMCWYRMSA-N 1 0 242.322 3.643 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccncc1 ZINC000766018159 585496152 /nfs/dbraw/zinc/49/61/52/585496152.db2.gz GEUHSJGYTPXPEI-BMFZPTHFSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000766018161 585496018 /nfs/dbraw/zinc/49/60/18/585496018.db2.gz GEUHSJGYTPXPEI-BPUTZDHNSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccncc1 ZINC000766018178 585496083 /nfs/dbraw/zinc/49/60/83/585496083.db2.gz GEUHSJGYTPXPEI-IMJJTQAJSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccncc1 ZINC000766018181 585495994 /nfs/dbraw/zinc/49/59/94/585495994.db2.gz GEUHSJGYTPXPEI-KBMXLJTQSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccncc1 ZINC000766019918 585496072 /nfs/dbraw/zinc/49/60/72/585496072.db2.gz NVFDVTONUMCISB-BBRMVZONSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](C)C1CCCC1)c1ccncc1 ZINC000766019921 585495981 /nfs/dbraw/zinc/49/59/81/585495981.db2.gz NVFDVTONUMCISB-CJNGLKHVSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccncc1 ZINC000766019927 585496074 /nfs/dbraw/zinc/49/60/74/585496074.db2.gz NVFDVTONUMCISB-CZUORRHYSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccncc1 ZINC000766019933 585495947 /nfs/dbraw/zinc/49/59/47/585495947.db2.gz NVFDVTONUMCISB-XJKSGUPXSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)c1ccncc1 ZINC000766020085 585496066 /nfs/dbraw/zinc/49/60/66/585496066.db2.gz MFMSMAGPINILPA-GUTXKFCHSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H](C)[C@H](C)CC)c1ccncc1 ZINC000766020086 585496064 /nfs/dbraw/zinc/49/60/64/585496064.db2.gz MFMSMAGPINILPA-IPYPFGDCSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](C)[C@H](C)CC)c1ccncc1 ZINC000766020087 585496061 /nfs/dbraw/zinc/49/60/61/585496061.db2.gz MFMSMAGPINILPA-NFAWXSAZSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)c1ccncc1 ZINC000766020089 585496076 /nfs/dbraw/zinc/49/60/76/585496076.db2.gz MFMSMAGPINILPA-YDHLFZDLSA-N 1 0 232.371 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](C)c1ccoc1)c1ccncc1 ZINC000766022869 585496339 /nfs/dbraw/zinc/49/63/39/585496339.db2.gz YEUOIYXUQDMBDW-DOMZBBRYSA-N 1 0 242.322 3.643 20 30 BHEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccoc1)c1ccncc1 ZINC000766022870 585496237 /nfs/dbraw/zinc/49/62/37/585496237.db2.gz YEUOIYXUQDMBDW-IUODEOHRSA-N 1 0 242.322 3.643 20 30 BHEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccncc1 ZINC000766022871 585496226 /nfs/dbraw/zinc/49/62/26/585496226.db2.gz YEUOIYXUQDMBDW-SWLSCSKDSA-N 1 0 242.322 3.643 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccoc1)c1ccncc1 ZINC000766022872 585496318 /nfs/dbraw/zinc/49/63/18/585496318.db2.gz YEUOIYXUQDMBDW-WFASDCNBSA-N 1 0 242.322 3.643 20 30 BHEDRO CCCCCCC[NH+]1CCC(C(F)F)CC1 ZINC000766188201 585498584 /nfs/dbraw/zinc/49/85/84/585498584.db2.gz BJNFYIWABSCLOT-UHFFFAOYSA-N 1 0 233.346 3.934 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1c(C)cccc1F ZINC000766215663 585498902 /nfs/dbraw/zinc/49/89/02/585498902.db2.gz KIQQKCQQDNDTPN-AAEUAGOBSA-N 1 0 235.346 3.824 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1c(C)cccc1F ZINC000766215664 585499022 /nfs/dbraw/zinc/49/90/22/585499022.db2.gz KIQQKCQQDNDTPN-DGCLKSJQSA-N 1 0 235.346 3.824 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1c(C)cccc1F ZINC000766215665 585499014 /nfs/dbraw/zinc/49/90/14/585499014.db2.gz KIQQKCQQDNDTPN-WCQYABFASA-N 1 0 235.346 3.824 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1c(C)cccc1F ZINC000766215666 585499120 /nfs/dbraw/zinc/49/91/20/585499120.db2.gz KIQQKCQQDNDTPN-YPMHNXCESA-N 1 0 235.346 3.824 20 30 BHEDRO C#CCCC[NH2+][C@@H](CCC)CCc1ccccc1 ZINC000766223794 585499168 /nfs/dbraw/zinc/49/91/68/585499168.db2.gz SZHDLEIPFRIISY-KRWDZBQOSA-N 1 0 243.394 3.791 20 30 BHEDRO C#CCCC[NH2+][C@H](CCC)CCc1ccccc1 ZINC000766223798 585499216 /nfs/dbraw/zinc/49/92/16/585499216.db2.gz SZHDLEIPFRIISY-QGZVFWFLSA-N 1 0 243.394 3.791 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000766223897 585499183 /nfs/dbraw/zinc/49/91/83/585499183.db2.gz UTOLKNWZAQHEDQ-INIZCTEOSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000766223902 585499192 /nfs/dbraw/zinc/49/91/92/585499192.db2.gz UTOLKNWZAQHEDQ-MRXNPFEDSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000766225028 585499193 /nfs/dbraw/zinc/49/91/93/585499193.db2.gz ZKKTXFNLULJSIJ-DLBZAZTESA-N 1 0 241.378 3.634 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000766225049 585499163 /nfs/dbraw/zinc/49/91/63/585499163.db2.gz ZKKTXFNLULJSIJ-IAGOWNOFSA-N 1 0 241.378 3.634 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000766225050 585499199 /nfs/dbraw/zinc/49/91/99/585499199.db2.gz ZKKTXFNLULJSIJ-IRXDYDNUSA-N 1 0 241.378 3.634 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000766225051 585499184 /nfs/dbraw/zinc/49/91/84/585499184.db2.gz ZKKTXFNLULJSIJ-SJORKVTESA-N 1 0 241.378 3.634 20 30 BHEDRO C#CCCC[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000766232133 585499154 /nfs/dbraw/zinc/49/91/54/585499154.db2.gz GAKNFYRNVPZFRX-KRWDZBQOSA-N 1 0 243.394 3.647 20 30 BHEDRO C#CCCC[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000766232135 585499191 /nfs/dbraw/zinc/49/91/91/585499191.db2.gz GAKNFYRNVPZFRX-QGZVFWFLSA-N 1 0 243.394 3.647 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000766232914 585499134 /nfs/dbraw/zinc/49/91/34/585499134.db2.gz IYPBOCVCMRTHTG-CYBMUJFWSA-N 1 0 233.330 3.507 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000766232918 585499150 /nfs/dbraw/zinc/49/91/50/585499150.db2.gz IYPBOCVCMRTHTG-ZDUSSCGKSA-N 1 0 233.330 3.507 20 30 BHEDRO C#CCCC[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000766234531 644663870 /nfs/dbraw/zinc/66/38/70/644663870.db2.gz WYIKVMMAELWMHK-KRWDZBQOSA-N 1 0 243.394 3.565 20 30 BHEDRO C#CCCC[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000766234533 644664299 /nfs/dbraw/zinc/66/42/99/644664299.db2.gz WYIKVMMAELWMHK-QGZVFWFLSA-N 1 0 243.394 3.565 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000766329166 585501158 /nfs/dbraw/zinc/50/11/58/585501158.db2.gz JHBDIARJHPLSQV-KBPBESRZSA-N 1 0 249.785 3.911 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000766329175 585501326 /nfs/dbraw/zinc/50/13/26/585501326.db2.gz JHBDIARJHPLSQV-KGLIPLIRSA-N 1 0 249.785 3.911 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000766329179 585501273 /nfs/dbraw/zinc/50/12/73/585501273.db2.gz JHBDIARJHPLSQV-UONOGXRCSA-N 1 0 249.785 3.911 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000766329182 585501259 /nfs/dbraw/zinc/50/12/59/585501259.db2.gz JHBDIARJHPLSQV-ZIAGYGMSSA-N 1 0 249.785 3.911 20 30 BHEDRO C#CCCC[N@H+](Cc1ccc(C)s1)C(C)C ZINC000766894241 585509578 /nfs/dbraw/zinc/50/95/78/585509578.db2.gz BCKZDOFKCZDMLR-UHFFFAOYSA-N 1 0 235.396 3.680 20 30 BHEDRO C#CCCC[N@H+](Cc1ccccc1)CC(C)C ZINC000766894243 585509565 /nfs/dbraw/zinc/50/95/65/585509565.db2.gz BJNDMBVTRPLCPU-UHFFFAOYSA-N 1 0 229.367 3.558 20 30 BHEDRO C#CCCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000766894277 585509627 /nfs/dbraw/zinc/50/96/27/585509627.db2.gz CXIWPOICNSOZRM-UHFFFAOYSA-N 1 0 241.378 3.702 20 30 BHEDRO C#CCCC[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000766894345 585509233 /nfs/dbraw/zinc/50/92/33/585509233.db2.gz BJCRDVOTALVBEJ-UHFFFAOYSA-N 1 0 249.785 3.964 20 30 BHEDRO C#CCCC[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000766894489 585508887 /nfs/dbraw/zinc/50/88/87/585508887.db2.gz CKYSRBVENOYLIC-CYBMUJFWSA-N 1 0 233.330 3.622 20 30 BHEDRO C#CCCC[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000766894490 585508902 /nfs/dbraw/zinc/50/89/02/585508902.db2.gz CKYSRBVENOYLIC-ZDUSSCGKSA-N 1 0 233.330 3.622 20 30 BHEDRO C#CCCC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000766894558 585509587 /nfs/dbraw/zinc/50/95/87/585509587.db2.gz DVHKXAMAONEDQE-UHFFFAOYSA-N 1 0 229.367 3.655 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000766894753 585509604 /nfs/dbraw/zinc/50/96/04/585509604.db2.gz GFRKKESXPJXPNC-HNNXBMFYSA-N 1 0 229.367 3.710 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000766894755 585509612 /nfs/dbraw/zinc/50/96/12/585509612.db2.gz GFRKKESXPJXPNC-OAHLLOKOSA-N 1 0 229.367 3.710 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000766894827 585509591 /nfs/dbraw/zinc/50/95/91/585509591.db2.gz FPUPSFJJCWCAGW-HNNXBMFYSA-N 1 0 247.769 3.890 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000766894850 585508968 /nfs/dbraw/zinc/50/89/68/585508968.db2.gz FPUPSFJJCWCAGW-OAHLLOKOSA-N 1 0 247.769 3.890 20 30 BHEDRO C#CCCC[N@H+](CCc1ccccc1)CC(C)C ZINC000766894940 585509276 /nfs/dbraw/zinc/50/92/76/585509276.db2.gz HNDVAINMOCUEPS-UHFFFAOYSA-N 1 0 243.394 3.601 20 30 BHEDRO C#CCCC[N@H+](Cc1ccccc1F)CC(C)C ZINC000766894998 585509571 /nfs/dbraw/zinc/50/95/71/585509571.db2.gz HVFGEEBULKBRIC-UHFFFAOYSA-N 1 0 247.357 3.697 20 30 BHEDRO C#CCCC[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000766895255 585509252 /nfs/dbraw/zinc/50/92/52/585509252.db2.gz CIBHBMGIMYSEQL-UHFFFAOYSA-N 1 0 241.787 3.637 20 30 BHEDRO C#CCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000766895394 585509378 /nfs/dbraw/zinc/50/93/78/585509378.db2.gz KDPDXESWIHMYGB-UHFFFAOYSA-N 1 0 247.769 3.718 20 30 BHEDRO C#CCCC[N@@H+](C)Cc1csc2ccccc12 ZINC000766895412 585509533 /nfs/dbraw/zinc/50/95/33/585509533.db2.gz KUXJZHSWKNEDTO-UHFFFAOYSA-N 1 0 243.375 3.747 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000766895451 585509259 /nfs/dbraw/zinc/50/92/59/585509259.db2.gz MLXIKZITRCUFOJ-INIZCTEOSA-N 1 0 227.351 3.545 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000766895452 585509638 /nfs/dbraw/zinc/50/96/38/585509638.db2.gz MLXIKZITRCUFOJ-MRXNPFEDSA-N 1 0 227.351 3.545 20 30 BHEDRO C#CCCC[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000766895520 585509267 /nfs/dbraw/zinc/50/92/67/585509267.db2.gz ORUJTHZDWWLMFC-UHFFFAOYSA-N 1 0 235.758 3.575 20 30 BHEDRO C#CCCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000766895704 585509257 /nfs/dbraw/zinc/50/92/57/585509257.db2.gz QNHCCHUWPXYORV-UHFFFAOYSA-N 1 0 237.346 3.685 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000766895757 585509820 /nfs/dbraw/zinc/50/98/20/585509820.db2.gz HHSAEGYFRMPNHA-INIZCTEOSA-N 1 0 227.351 3.545 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000766895759 585509967 /nfs/dbraw/zinc/50/99/67/585509967.db2.gz HHSAEGYFRMPNHA-MRXNPFEDSA-N 1 0 227.351 3.545 20 30 BHEDRO C#CCCC[N@@H+](CCC)Cc1ccc(C)cc1 ZINC000766895795 585509714 /nfs/dbraw/zinc/50/97/14/585509714.db2.gz IGHXDXMXTBVYRB-UHFFFAOYSA-N 1 0 229.367 3.620 20 30 BHEDRO C#CCCC[N@@H+](CC)[C@@H](CC)c1ccccc1 ZINC000766896050 585509794 /nfs/dbraw/zinc/50/97/94/585509794.db2.gz OLQKFKDIDLYGGH-INIZCTEOSA-N 1 0 229.367 3.873 20 30 BHEDRO C#CCCC[N@@H+](CC)[C@H](CC)c1ccccc1 ZINC000766896052 585510008 /nfs/dbraw/zinc/51/00/08/585510008.db2.gz OLQKFKDIDLYGGH-MRXNPFEDSA-N 1 0 229.367 3.873 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000766896055 585509710 /nfs/dbraw/zinc/50/97/10/585509710.db2.gz OLXJJKCUGSFCKW-KRWDZBQOSA-N 1 0 241.378 3.854 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000766896056 585510030 /nfs/dbraw/zinc/51/00/30/585510030.db2.gz OLXJJKCUGSFCKW-QGZVFWFLSA-N 1 0 241.378 3.854 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000766896059 585509976 /nfs/dbraw/zinc/50/99/76/585509976.db2.gz WBXXGIPXJJAENX-INIZCTEOSA-N 1 0 227.351 3.545 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000766896061 585509882 /nfs/dbraw/zinc/50/98/82/585509882.db2.gz WBXXGIPXJJAENX-MRXNPFEDSA-N 1 0 227.351 3.545 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000766896063 585509947 /nfs/dbraw/zinc/50/99/47/585509947.db2.gz WESGQUBYTXGTAS-HNNXBMFYSA-N 1 0 229.367 3.710 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000766896065 585509739 /nfs/dbraw/zinc/50/97/39/585509739.db2.gz WESGQUBYTXGTAS-OAHLLOKOSA-N 1 0 229.367 3.710 20 30 BHEDRO C#CCCC[N@@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000766896250 584944456 /nfs/dbraw/zinc/94/44/56/584944456.db2.gz YQETYUGZUILQIY-UHFFFAOYSA-N 1 0 241.378 3.627 20 30 BHEDRO C#CCCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000766896259 584944462 /nfs/dbraw/zinc/94/44/62/584944462.db2.gz YQUZNIHWGTWGPL-UHFFFAOYSA-N 1 0 237.346 3.685 20 30 BHEDRO C#CCCC[N@@H+](CC)Cc1ccccc1Cl ZINC000766896291 585509962 /nfs/dbraw/zinc/50/99/62/585509962.db2.gz YXIDCTSWFYIYDI-UHFFFAOYSA-N 1 0 235.758 3.575 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000766896319 585509707 /nfs/dbraw/zinc/50/97/07/585509707.db2.gz LPOGOZRSCIAQMF-HNNXBMFYSA-N 1 0 247.769 3.890 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000766896320 585509834 /nfs/dbraw/zinc/50/98/34/585509834.db2.gz LPOGOZRSCIAQMF-OAHLLOKOSA-N 1 0 247.769 3.890 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000766896456 584944470 /nfs/dbraw/zinc/94/44/70/584944470.db2.gz PAXPWZBMXFDEDS-CYBMUJFWSA-N 1 0 241.334 3.839 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000766896461 584944487 /nfs/dbraw/zinc/94/44/87/584944487.db2.gz PAXPWZBMXFDEDS-ZDUSSCGKSA-N 1 0 241.334 3.839 20 30 BHEDRO C#CCCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000766896638 585509735 /nfs/dbraw/zinc/50/97/35/585509735.db2.gz WDKLOEDIJQQWBY-KRWDZBQOSA-N 1 0 241.378 3.670 20 30 BHEDRO C#CCCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000766896639 585510043 /nfs/dbraw/zinc/51/00/43/585510043.db2.gz WDKLOEDIJQQWBY-QGZVFWFLSA-N 1 0 241.378 3.670 20 30 BHEDRO C#CCCC[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000766896838 585509763 /nfs/dbraw/zinc/50/97/63/585509763.db2.gz XIQXPRGKODEFAS-UHFFFAOYSA-N 1 0 235.758 3.575 20 30 BHEDRO C#CCCC[N@@H+](CCC)[C@H]1CCc2ccccc21 ZINC000766896981 584944531 /nfs/dbraw/zinc/94/45/31/584944531.db2.gz YCGUNUCTJZRIBM-KRWDZBQOSA-N 1 0 241.378 3.799 20 30 BHEDRO C#CCCC[N@@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000766896982 584944529 /nfs/dbraw/zinc/94/45/29/584944529.db2.gz YCGUNUCTJZRIBM-QGZVFWFLSA-N 1 0 241.378 3.799 20 30 BHEDRO C#CCCC[NH+]1CCC(c2ccccc2C)CC1 ZINC000766900503 585510422 /nfs/dbraw/zinc/51/04/22/585510422.db2.gz LITKQIYNJCBWLO-UHFFFAOYSA-N 1 0 241.378 3.588 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000766901369 585510233 /nfs/dbraw/zinc/51/02/33/585510233.db2.gz MVWRCCAASRYQRM-AWEZNQCLSA-N 1 0 247.769 3.543 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000766901371 585510372 /nfs/dbraw/zinc/51/03/72/585510372.db2.gz MVWRCCAASRYQRM-CQSZACIVSA-N 1 0 247.769 3.543 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000766901516 585510289 /nfs/dbraw/zinc/51/02/89/585510289.db2.gz PMTXJQHSMVUZCH-HNNXBMFYSA-N 1 0 249.304 3.515 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000766901518 585510401 /nfs/dbraw/zinc/51/04/01/585510401.db2.gz PMTXJQHSMVUZCH-OAHLLOKOSA-N 1 0 249.304 3.515 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000766902053 585510251 /nfs/dbraw/zinc/51/02/51/585510251.db2.gz VTRAHYDQGGNDOX-INIZCTEOSA-N 1 0 229.367 3.729 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000766902054 585510382 /nfs/dbraw/zinc/51/03/82/585510382.db2.gz VTRAHYDQGGNDOX-MRXNPFEDSA-N 1 0 229.367 3.729 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000766902409 642317314 /nfs/dbraw/zinc/31/73/14/642317314.db2.gz JHBLKZKXKKJKCB-DZGCQCFKSA-N 1 0 245.366 3.774 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000766902410 642320886 /nfs/dbraw/zinc/32/08/86/642320886.db2.gz JHBLKZKXKKJKCB-HIFRSBDPSA-N 1 0 245.366 3.774 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000766902411 642323014 /nfs/dbraw/zinc/32/30/14/642323014.db2.gz JHBLKZKXKKJKCB-UKRRQHHQSA-N 1 0 245.366 3.774 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000766902412 642322525 /nfs/dbraw/zinc/32/25/25/642322525.db2.gz JHBLKZKXKKJKCB-ZFWWWQNUSA-N 1 0 245.366 3.774 20 30 BHEDRO C#CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000766902549 585510919 /nfs/dbraw/zinc/51/09/19/585510919.db2.gz KKYKWRIWQFWKLJ-DOTOQJQBSA-N 1 0 241.378 3.525 20 30 BHEDRO C#CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000766902550 585510975 /nfs/dbraw/zinc/51/09/75/585510975.db2.gz KKYKWRIWQFWKLJ-NVXWUHKLSA-N 1 0 241.378 3.525 20 30 BHEDRO C#CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000766902551 585510838 /nfs/dbraw/zinc/51/08/38/585510838.db2.gz KKYKWRIWQFWKLJ-RDJZCZTQSA-N 1 0 241.378 3.525 20 30 BHEDRO C#CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000766902552 584944583 /nfs/dbraw/zinc/94/45/83/584944583.db2.gz KKYKWRIWQFWKLJ-WBVHZDCISA-N 1 0 241.378 3.525 20 30 BHEDRO C#CCCC[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000766903151 585510657 /nfs/dbraw/zinc/51/06/57/585510657.db2.gz QNDVELUZRNMALG-UHFFFAOYSA-N 1 0 241.378 3.681 20 30 BHEDRO C#CCCC[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000766903196 585510608 /nfs/dbraw/zinc/51/06/08/585510608.db2.gz RMMJABCGCZUDBI-CVEARBPZSA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCCC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000766903209 585510557 /nfs/dbraw/zinc/51/05/57/585510557.db2.gz ATBHCDVHUQZFIO-UHFFFAOYSA-N 1 0 247.357 3.840 20 30 BHEDRO C#CCCC[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000766903372 584944565 /nfs/dbraw/zinc/94/45/65/584944565.db2.gz RMMJABCGCZUDBI-HOTGVXAUSA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCCC[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000766903376 584944543 /nfs/dbraw/zinc/94/45/43/584944543.db2.gz RMMJABCGCZUDBI-HZPDHXFCSA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCCC[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000766903404 584944534 /nfs/dbraw/zinc/94/45/34/584944534.db2.gz RMMJABCGCZUDBI-JKSUJKDBSA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000766903461 585510768 /nfs/dbraw/zinc/51/07/68/585510768.db2.gz RYHVZCRUKUDEFC-BBRMVZONSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000766903463 585510963 /nfs/dbraw/zinc/51/09/63/585510963.db2.gz RYHVZCRUKUDEFC-CJNGLKHVSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000766903465 585510832 /nfs/dbraw/zinc/51/08/32/585510832.db2.gz RYHVZCRUKUDEFC-CZUORRHYSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000766903467 585510649 /nfs/dbraw/zinc/51/06/49/585510649.db2.gz RYHVZCRUKUDEFC-XJKSGUPXSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000766903601 585510646 /nfs/dbraw/zinc/51/06/46/585510646.db2.gz TUIZBNYUPPWWDG-BBRMVZONSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000766903603 585510625 /nfs/dbraw/zinc/51/06/25/585510625.db2.gz TUIZBNYUPPWWDG-CJNGLKHVSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000766903605 585510707 /nfs/dbraw/zinc/51/07/07/585510707.db2.gz TUIZBNYUPPWWDG-CZUORRHYSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000766903606 585510581 /nfs/dbraw/zinc/51/05/81/585510581.db2.gz TUIZBNYUPPWWDG-XJKSGUPXSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000766903971 585510570 /nfs/dbraw/zinc/51/05/70/585510570.db2.gz AUXPUFASJSSOLN-HNNXBMFYSA-N 1 0 233.330 3.526 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000766903975 585510956 /nfs/dbraw/zinc/51/09/56/585510956.db2.gz AUXPUFASJSSOLN-OAHLLOKOSA-N 1 0 233.330 3.526 20 30 BHEDRO C#CCCC[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000766904092 585510959 /nfs/dbraw/zinc/51/09/59/585510959.db2.gz WHWQFFOQBZLTEY-UHFFFAOYSA-N 1 0 243.394 3.618 20 30 BHEDRO C#CCCC[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000766904155 585510674 /nfs/dbraw/zinc/51/06/74/585510674.db2.gz XNBFRLZXHPTKJN-HNNXBMFYSA-N 1 0 245.366 3.919 20 30 BHEDRO C#CCCC[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000766904156 585510954 /nfs/dbraw/zinc/51/09/54/585510954.db2.gz XNBFRLZXHPTKJN-OAHLLOKOSA-N 1 0 245.366 3.919 20 30 BHEDRO C#CCCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000766904176 585510948 /nfs/dbraw/zinc/51/09/48/585510948.db2.gz XTOUQWKHLJPAAY-BBRMVZONSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000766904178 584944599 /nfs/dbraw/zinc/94/45/99/584944599.db2.gz XTOUQWKHLJPAAY-CJNGLKHVSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000766904183 584944591 /nfs/dbraw/zinc/94/45/91/584944591.db2.gz XTOUQWKHLJPAAY-CZUORRHYSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000766904208 584944545 /nfs/dbraw/zinc/94/45/45/584944545.db2.gz XTOUQWKHLJPAAY-XJKSGUPXSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000766904351 585510555 /nfs/dbraw/zinc/51/05/55/585510555.db2.gz FJUBENZIRNSZEP-KRWDZBQOSA-N 1 0 241.378 3.854 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000766904354 585510722 /nfs/dbraw/zinc/51/07/22/585510722.db2.gz FJUBENZIRNSZEP-QGZVFWFLSA-N 1 0 241.378 3.854 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000766904379 585510904 /nfs/dbraw/zinc/51/09/04/585510904.db2.gz ZDYVABGANKPQLL-KRWDZBQOSA-N 1 0 241.378 3.854 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000766904381 585510575 /nfs/dbraw/zinc/51/05/75/585510575.db2.gz ZDYVABGANKPQLL-QGZVFWFLSA-N 1 0 241.378 3.854 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000766904414 585510961 /nfs/dbraw/zinc/51/09/61/585510961.db2.gz ZMBGEMBSNGIMQL-KRWDZBQOSA-N 1 0 243.394 3.661 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000766904415 584944605 /nfs/dbraw/zinc/94/46/05/584944605.db2.gz ZMBGEMBSNGIMQL-QGZVFWFLSA-N 1 0 243.394 3.661 20 30 BHEDRO C#CCCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000766904670 585510836 /nfs/dbraw/zinc/51/08/36/585510836.db2.gz HZDJJRLJROSSPO-INIZCTEOSA-N 1 0 245.341 3.766 20 30 BHEDRO C#CCCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000766904672 585510749 /nfs/dbraw/zinc/51/07/49/585510749.db2.gz HZDJJRLJROSSPO-MRXNPFEDSA-N 1 0 245.341 3.766 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000766905933 585509041 /nfs/dbraw/zinc/50/90/41/585509041.db2.gz NJJZZJUFSAQFFC-AWEZNQCLSA-N 1 0 233.742 3.500 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000766905935 585509063 /nfs/dbraw/zinc/50/90/63/585509063.db2.gz NJJZZJUFSAQFFC-CQSZACIVSA-N 1 0 233.742 3.500 20 30 BHEDRO C#CCCC[N@@H+](CC)[C@@H](CC)Cc1ccccc1 ZINC000766906006 585511216 /nfs/dbraw/zinc/51/12/16/585511216.db2.gz OROYMRUHAQUBHZ-KRWDZBQOSA-N 1 0 243.394 3.743 20 30 BHEDRO C#CCCC[N@@H+](CC)[C@H](CC)Cc1ccccc1 ZINC000766906007 585511115 /nfs/dbraw/zinc/51/11/15/585511115.db2.gz OROYMRUHAQUBHZ-QGZVFWFLSA-N 1 0 243.394 3.743 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000766906044 585511314 /nfs/dbraw/zinc/51/13/14/585511314.db2.gz MVXPTUKXGPRTCK-CYBMUJFWSA-N 1 0 249.785 3.616 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000766906045 585511381 /nfs/dbraw/zinc/51/13/81/585511381.db2.gz MVXPTUKXGPRTCK-ZDUSSCGKSA-N 1 0 249.785 3.616 20 30 BHEDRO C#CCCC[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000766906055 585511325 /nfs/dbraw/zinc/51/13/25/585511325.db2.gz PJLFBZCSOPQAHO-KRWDZBQOSA-N 1 0 241.378 3.655 20 30 BHEDRO C#CCCC[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000766906060 585511286 /nfs/dbraw/zinc/51/12/86/585511286.db2.gz PJLFBZCSOPQAHO-QGZVFWFLSA-N 1 0 241.378 3.655 20 30 BHEDRO C#CCCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000766906318 585511323 /nfs/dbraw/zinc/51/13/23/585511323.db2.gz QDEAUOXAGARLMU-AWEZNQCLSA-N 1 0 231.339 3.610 20 30 BHEDRO C#CCCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000766906322 585511030 /nfs/dbraw/zinc/51/10/30/585511030.db2.gz QDEAUOXAGARLMU-CQSZACIVSA-N 1 0 231.339 3.610 20 30 BHEDRO C#CCCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000766906622 585511204 /nfs/dbraw/zinc/51/12/04/585511204.db2.gz SKDSSCQEESVZJL-UHFFFAOYSA-N 1 0 229.367 3.701 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000766912794 585511568 /nfs/dbraw/zinc/51/15/68/585511568.db2.gz KLXLWCRURQCEFD-HNNXBMFYSA-N 1 0 247.357 3.916 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000766912795 585511471 /nfs/dbraw/zinc/51/14/71/585511471.db2.gz KLXLWCRURQCEFD-OAHLLOKOSA-N 1 0 247.357 3.916 20 30 BHEDRO C#CCCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000766913380 585511590 /nfs/dbraw/zinc/51/15/90/585511590.db2.gz PMVSARWWXKFCFX-KRWDZBQOSA-N 1 0 239.362 3.552 20 30 BHEDRO C#CCCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000766913381 585511524 /nfs/dbraw/zinc/51/15/24/585511524.db2.gz PMVSARWWXKFCFX-QGZVFWFLSA-N 1 0 239.362 3.552 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000766913389 585511528 /nfs/dbraw/zinc/51/15/28/585511528.db2.gz PPFXZUIELBVMDZ-HNNXBMFYSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000766913390 585511463 /nfs/dbraw/zinc/51/14/63/585511463.db2.gz PPFXZUIELBVMDZ-OAHLLOKOSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CCCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000766914331 585511534 /nfs/dbraw/zinc/51/15/34/585511534.db2.gz IYDOZSCUZYUNMJ-AWEZNQCLSA-N 1 0 227.351 3.625 20 30 BHEDRO C#CCCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000766914332 585511435 /nfs/dbraw/zinc/51/14/35/585511435.db2.gz IYDOZSCUZYUNMJ-CQSZACIVSA-N 1 0 227.351 3.625 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000766914647 585511582 /nfs/dbraw/zinc/51/15/82/585511582.db2.gz CNCSUWKJCAJWIU-INIZCTEOSA-N 1 0 245.341 3.670 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000766914649 585511564 /nfs/dbraw/zinc/51/15/64/585511564.db2.gz CNCSUWKJCAJWIU-MRXNPFEDSA-N 1 0 245.341 3.670 20 30 BHEDRO C#CCCC[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000766916326 585511483 /nfs/dbraw/zinc/51/14/83/585511483.db2.gz KGYGSCXKZQIBLP-UHFFFAOYSA-N 1 0 241.378 3.767 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000766916743 585511646 /nfs/dbraw/zinc/51/16/46/585511646.db2.gz DELSVVUZYWMDAE-KRWDZBQOSA-N 1 0 241.378 3.921 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000766916744 585511539 /nfs/dbraw/zinc/51/15/39/585511539.db2.gz DELSVVUZYWMDAE-QGZVFWFLSA-N 1 0 241.378 3.921 20 30 BHEDRO C#CCCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000766916868 585511545 /nfs/dbraw/zinc/51/15/45/585511545.db2.gz LKLUMVSNAZGQLI-UHFFFAOYSA-N 1 0 245.341 3.598 20 30 BHEDRO C#CCCC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000766917824 585511643 /nfs/dbraw/zinc/51/16/43/585511643.db2.gz OOXZAHJDVRGFHB-UHFFFAOYSA-N 1 0 247.769 3.722 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000766921036 585511849 /nfs/dbraw/zinc/51/18/49/585511849.db2.gz XIZGFSIHPXMIDD-INIZCTEOSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000766921038 585511768 /nfs/dbraw/zinc/51/17/68/585511768.db2.gz XIZGFSIHPXMIDD-MRXNPFEDSA-N 1 0 227.351 3.531 20 30 BHEDRO C=C(Cl)C[N@H+](CCC)CCc1cccs1 ZINC000766930740 585512024 /nfs/dbraw/zinc/51/20/24/585512024.db2.gz DQMYZHXPVFZXKN-UHFFFAOYSA-N 1 0 243.803 3.755 20 30 BHEDRO C#CC[C@H]([NH2+]CC/C=C/CC)c1ccccc1 ZINC000767340101 644674627 /nfs/dbraw/zinc/67/46/27/644674627.db2.gz ZJLLQJBVTWMVNS-JFDDCEBESA-N 1 0 227.351 3.697 20 30 BHEDRO C#CC[C@H]([NH2+]CC/C=C\CC)c1ccccc1 ZINC000767340102 644674443 /nfs/dbraw/zinc/67/44/43/644674443.db2.gz ZJLLQJBVTWMVNS-KJPDOMRESA-N 1 0 227.351 3.697 20 30 BHEDRO C#CC[C@@H]([NH2+]CC/C=C\CC)c1ccccc1 ZINC000767340103 644673886 /nfs/dbraw/zinc/67/38/86/644673886.db2.gz ZJLLQJBVTWMVNS-OGZRUICASA-N 1 0 227.351 3.697 20 30 BHEDRO C#CC[C@@H]([NH2+]CC/C=C/CC)c1ccccc1 ZINC000767340104 644673805 /nfs/dbraw/zinc/67/38/05/644673805.db2.gz ZJLLQJBVTWMVNS-SQRWCISFSA-N 1 0 227.351 3.697 20 30 BHEDRO C=C(C[NH2+]Cc1cc(C)oc1C)c1ccccc1 ZINC000767347737 585517090 /nfs/dbraw/zinc/51/70/90/585517090.db2.gz DANMOCBGHZNUJC-UHFFFAOYSA-N 1 0 241.334 3.699 20 30 BHEDRO CCc1nc2ccccc2n1[NH+]=CC(CC)CC ZINC000767361766 585517823 /nfs/dbraw/zinc/51/78/23/585517823.db2.gz KIZIZGUSPCDYLL-UHFFFAOYSA-N 1 0 243.354 3.869 20 30 BHEDRO C#CCCCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000767372331 585518235 /nfs/dbraw/zinc/51/82/35/585518235.db2.gz BHKBTDZXRVCCRO-HNNXBMFYSA-N 1 0 229.367 3.573 20 30 BHEDRO C#CCCCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000767372342 585518032 /nfs/dbraw/zinc/51/80/32/585518032.db2.gz BHKBTDZXRVCCRO-OAHLLOKOSA-N 1 0 229.367 3.573 20 30 BHEDRO CCCCCCCC[N@H+](C)Cc1cccnc1 ZINC000767470515 585520690 /nfs/dbraw/zinc/52/06/90/585520690.db2.gz SJCYAAUNYHHLJS-UHFFFAOYSA-N 1 0 234.387 3.874 20 30 BHEDRO CCCCCCCC[N@H+](C)CCc1ccccn1 ZINC000767542199 585522407 /nfs/dbraw/zinc/52/24/07/585522407.db2.gz YHUNIMWATOLOIS-UHFFFAOYSA-N 1 0 248.414 3.916 20 30 BHEDRO CCCCCCC[N@H+](CC)Cc1ccncc1 ZINC000767617837 585523291 /nfs/dbraw/zinc/52/32/91/585523291.db2.gz XRKUEJHOLUVPHP-UHFFFAOYSA-N 1 0 234.387 3.874 20 30 BHEDRO CCCCCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000767661962 585524074 /nfs/dbraw/zinc/52/40/74/585524074.db2.gz HQHQDMKCMWREDF-UHFFFAOYSA-N 1 0 230.355 3.537 20 30 BHEDRO Cc1cc(C[NH2+]C[C@@H](C)C(C)(C)C)ccc1C#N ZINC000767692632 585524881 /nfs/dbraw/zinc/52/48/81/585524881.db2.gz WXPPHAGBVJIPIV-CYBMUJFWSA-N 1 0 244.382 3.639 20 30 BHEDRO Cc1cc(C[NH2+]C[C@H](C)C(C)(C)C)ccc1C#N ZINC000767692634 585524800 /nfs/dbraw/zinc/52/48/00/585524800.db2.gz WXPPHAGBVJIPIV-ZDUSSCGKSA-N 1 0 244.382 3.639 20 30 BHEDRO C=CC[N@H+](Cc1cc2ccccc2o1)C(C)C ZINC000767891138 585527638 /nfs/dbraw/zinc/52/76/38/585527638.db2.gz QNQYUNSAWIZMPL-UHFFFAOYSA-N 1 0 229.323 3.829 20 30 BHEDRO CCCCCCC[N@@H+]1CCCC[C@H](COC)C1 ZINC000767945618 585528903 /nfs/dbraw/zinc/52/89/03/585528903.db2.gz ANJFPZRSLZKSBT-HNNXBMFYSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCC[N@@H+]1CCCC[C@@H](COC)C1 ZINC000767945619 585528631 /nfs/dbraw/zinc/52/86/31/585528631.db2.gz ANJFPZRSLZKSBT-OAHLLOKOSA-N 1 0 241.419 3.705 20 30 BHEDRO Cc1cccc(C[N@@H+](CCC#N)CC(C)C)c1C ZINC000768154436 585533262 /nfs/dbraw/zinc/53/32/62/585533262.db2.gz SXFFUVXEMCHFIM-UHFFFAOYSA-N 1 0 244.382 3.675 20 30 BHEDRO C[C@@H]1CCC[C@@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000768354162 585536885 /nfs/dbraw/zinc/53/68/85/585536885.db2.gz FUBAHYCMJBKFFT-CHWSQXEVSA-N 1 0 241.338 3.697 20 30 BHEDRO C[C@@H]1CCC[C@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000768354163 585536666 /nfs/dbraw/zinc/53/66/66/585536666.db2.gz FUBAHYCMJBKFFT-OLZOCXBDSA-N 1 0 241.338 3.697 20 30 BHEDRO C[C@H]1CCC[C@@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000768354165 585536759 /nfs/dbraw/zinc/53/67/59/585536759.db2.gz FUBAHYCMJBKFFT-QWHCGFSZSA-N 1 0 241.338 3.697 20 30 BHEDRO C[C@H]1CCC[C@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000768354167 643464197 /nfs/dbraw/zinc/46/41/97/643464197.db2.gz FUBAHYCMJBKFFT-STQMWFEESA-N 1 0 241.338 3.697 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000768514532 585539604 /nfs/dbraw/zinc/53/96/04/585539604.db2.gz XTSSJQKRKBMHGK-CYBMUJFWSA-N 1 0 249.402 3.624 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000768514585 585539512 /nfs/dbraw/zinc/53/95/12/585539512.db2.gz XTSSJQKRKBMHGK-ZDUSSCGKSA-N 1 0 249.402 3.624 20 30 BHEDRO C=CC[N@H+](Cc1ccc(F)c(C)c1)C(C)C ZINC000768546228 584951178 /nfs/dbraw/zinc/95/11/78/584951178.db2.gz ACLLAUHLGBIKRB-UHFFFAOYSA-N 1 0 221.319 3.531 20 30 BHEDRO C=CC[N@H+](Cc1coc2ccccc12)C(C)C ZINC000768546658 585540018 /nfs/dbraw/zinc/54/00/18/585540018.db2.gz BWCGRZXEKIDKKN-UHFFFAOYSA-N 1 0 229.323 3.829 20 30 BHEDRO C=CC[N@H+](C/C=C/c1ccc(F)cc1)C(C)C ZINC000768546661 585539908 /nfs/dbraw/zinc/53/99/08/585539908.db2.gz BXCGWZSLJZSOAD-AATRIKPKSA-N 1 0 233.330 3.735 20 30 BHEDRO C=CC[N@H+](Cc1ccc(F)cc1C)C(C)C ZINC000768546676 585540120 /nfs/dbraw/zinc/54/01/20/585540120.db2.gz CGFWOAGOVNEGTR-UHFFFAOYSA-N 1 0 221.319 3.531 20 30 BHEDRO C=CCN(Cc1cscc1Cl)C(C)C ZINC000768546681 585539962 /nfs/dbraw/zinc/53/99/62/585539962.db2.gz CPKHNBYQLJDGEX-UHFFFAOYSA-N 1 0 229.776 3.798 20 30 BHEDRO C=CC[N@H+](Cc1cc(C)ccc1F)C(C)C ZINC000768546733 585540056 /nfs/dbraw/zinc/54/00/56/585540056.db2.gz DIXJRGVDSUUWPI-UHFFFAOYSA-N 1 0 221.319 3.531 20 30 BHEDRO C=CC[N@H+](Cc1cccc2cc[nH]c21)C(C)C ZINC000768546747 585540146 /nfs/dbraw/zinc/54/01/46/585540146.db2.gz DUWFDFDULXPTQI-UHFFFAOYSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CCOc1ccc(C[N@@H+](CC=C)C(C)C)cc1 ZINC000768546958 585539870 /nfs/dbraw/zinc/53/98/70/585539870.db2.gz FXQWPNUHGNMVMR-UHFFFAOYSA-N 1 0 245.366 3.648 20 30 BHEDRO C=CC[N@H+](C[C@H]1C[C@H]1c1ccccc1)C(C)C ZINC000768547060 585539873 /nfs/dbraw/zinc/53/98/73/585539873.db2.gz HOIRMPPQBKWXRR-CVEARBPZSA-N 1 0 229.367 3.687 20 30 BHEDRO C=CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000768547065 585539935 /nfs/dbraw/zinc/53/99/35/585539935.db2.gz HOIRMPPQBKWXRR-HOTGVXAUSA-N 1 0 229.367 3.687 20 30 BHEDRO C=CC[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000768547067 585539994 /nfs/dbraw/zinc/53/99/94/585539994.db2.gz HOIRMPPQBKWXRR-HZPDHXFCSA-N 1 0 229.367 3.687 20 30 BHEDRO C=CC[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000768547068 585540045 /nfs/dbraw/zinc/54/00/45/585540045.db2.gz HOIRMPPQBKWXRR-JKSUJKDBSA-N 1 0 229.367 3.687 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(CC)s1)C(C)C ZINC000768547378 585539818 /nfs/dbraw/zinc/53/98/18/585539818.db2.gz JXQHNBXZWLDVDD-UHFFFAOYSA-N 1 0 223.385 3.707 20 30 BHEDRO C=CC[N@H+](Cc1cncc2ccccc21)C(C)C ZINC000768547379 585540153 /nfs/dbraw/zinc/54/01/53/585540153.db2.gz JYTVKILLSQDWPX-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO C=CC[N@H+](Cc1ccnc2ccccc12)C(C)C ZINC000768547391 585540107 /nfs/dbraw/zinc/54/01/07/585540107.db2.gz KPYFZHSHFRRPIC-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO C=CC[N@H+](Cc1cc(Cl)ccc1F)C(C)C ZINC000768547394 585539768 /nfs/dbraw/zinc/53/97/68/585539768.db2.gz KQRSBWXBDAYQKN-UHFFFAOYSA-N 1 0 241.737 3.876 20 30 BHEDRO C=CC[N@H+](Cc1ccc2ncccc2c1)C(C)C ZINC000768547765 585539967 /nfs/dbraw/zinc/53/99/67/585539967.db2.gz ONGZCPHZZVGWQS-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO C=CC[N@H+](Cc1cc2cc(F)ccc2o1)C(C)C ZINC000768547839 585540492 /nfs/dbraw/zinc/54/04/92/585540492.db2.gz RNNDQLJKZHOFEV-UHFFFAOYSA-N 1 0 247.313 3.968 20 30 BHEDRO C=CC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C(C)C ZINC000768547910 585540451 /nfs/dbraw/zinc/54/04/51/585540451.db2.gz TVEGSWQVMOOHFZ-GXTWGEPZSA-N 1 0 233.355 3.799 20 30 BHEDRO C=CC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C(C)C ZINC000768547912 585540378 /nfs/dbraw/zinc/54/03/78/585540378.db2.gz TVEGSWQVMOOHFZ-JSGCOSHPSA-N 1 0 233.355 3.799 20 30 BHEDRO C=CC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C(C)C ZINC000768547913 585540430 /nfs/dbraw/zinc/54/04/30/585540430.db2.gz TVEGSWQVMOOHFZ-OCCSQVGLSA-N 1 0 233.355 3.799 20 30 BHEDRO C=CC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)C ZINC000768547915 585540357 /nfs/dbraw/zinc/54/03/57/585540357.db2.gz TVEGSWQVMOOHFZ-TZMCWYRMSA-N 1 0 233.355 3.799 20 30 BHEDRO C=CCOc1ccccc1C[N@@H+](CC=C)C(C)C ZINC000768547930 585540206 /nfs/dbraw/zinc/54/02/06/585540206.db2.gz UFHWLRONQOVCRQ-UHFFFAOYSA-N 1 0 245.366 3.648 20 30 BHEDRO C=CC[N@H+](Cc1ccc(F)c(Cl)c1)C(C)C ZINC000768547951 585540369 /nfs/dbraw/zinc/54/03/69/585540369.db2.gz UPWSRIZCLUWUIF-UHFFFAOYSA-N 1 0 241.737 3.876 20 30 BHEDRO C=CC[N@@H+](C/C=C/c1ccccc1OC)C(C)C ZINC000768548038 585540307 /nfs/dbraw/zinc/54/03/07/585540307.db2.gz VGOVIXFNQICULD-CSKARUKUSA-N 1 0 245.366 3.605 20 30 BHEDRO C=CC[N@@H+](C/C=C\c1ccccc1OC)C(C)C ZINC000768548041 585540268 /nfs/dbraw/zinc/54/02/68/585540268.db2.gz VGOVIXFNQICULD-NTMALXAHSA-N 1 0 245.366 3.605 20 30 BHEDRO C=CC[N@H+](Cc1nccc2ccccc21)C(C)C ZINC000768548086 585540454 /nfs/dbraw/zinc/54/04/54/585540454.db2.gz WELBIIDZWKGXER-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO C=CCOc1cccc(C[N@@H+](CC=C)C(C)C)c1 ZINC000768548144 585540237 /nfs/dbraw/zinc/54/02/37/585540237.db2.gz WWFSITWZXFSMQS-UHFFFAOYSA-N 1 0 245.366 3.648 20 30 BHEDRO C=CC[N@H+](Cc1cnc(C(C)C)s1)C(C)C ZINC000768548236 585540303 /nfs/dbraw/zinc/54/03/03/585540303.db2.gz YPGJSEDJTHSBRF-UHFFFAOYSA-N 1 0 238.400 3.663 20 30 BHEDRO C=CC[N@H+](Cc1cc(F)c(F)c(F)c1)C(C)C ZINC000768548244 585540415 /nfs/dbraw/zinc/54/04/15/585540415.db2.gz YVDMHVOUKUNIPL-UHFFFAOYSA-N 1 0 243.272 3.500 20 30 BHEDRO C=CC[N@H+](Cc1cccc(C)c1C)C(C)C ZINC000768548260 585540219 /nfs/dbraw/zinc/54/02/19/585540219.db2.gz ZDFRSFBWWUGSNO-UHFFFAOYSA-N 1 0 217.356 3.700 20 30 BHEDRO C=CC[N@H+](C/C(C)=C/c1ccccc1)C(C)C ZINC000768548273 585540187 /nfs/dbraw/zinc/54/01/87/585540187.db2.gz ZYBFYJAOXYHDDP-NTCAYCPXSA-N 1 0 229.367 3.986 20 30 BHEDRO C=CC[N@H+](C/C(C)=C\c1ccccc1)C(C)C ZINC000768548274 585540495 /nfs/dbraw/zinc/54/04/95/585540495.db2.gz ZYBFYJAOXYHDDP-QINSGFPZSA-N 1 0 229.367 3.986 20 30 BHEDRO C=CC[N@H+](Cc1ccc(Cl)c(F)c1)C(C)C ZINC000768549750 585540200 /nfs/dbraw/zinc/54/02/00/585540200.db2.gz DBEZHJWWJWLMCC-UHFFFAOYSA-N 1 0 241.737 3.876 20 30 BHEDRO C=CC[N@H+](Cc1cccc(Cl)c1F)C(C)C ZINC000768549943 585540477 /nfs/dbraw/zinc/54/04/77/585540477.db2.gz GWHZLGAKPQMTOH-UHFFFAOYSA-N 1 0 241.737 3.876 20 30 BHEDRO C=CC[N@H+](Cc1cnc2ccccc2c1)C(C)C ZINC000768549962 585540216 /nfs/dbraw/zinc/54/02/16/585540216.db2.gz HKANJKBBQNUXTL-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO C=CC[N@H+](Cc1ccc(C)c(F)c1)C(C)C ZINC000768550298 585540331 /nfs/dbraw/zinc/54/03/31/585540331.db2.gz JYDYXYKNWHACME-UHFFFAOYSA-N 1 0 221.319 3.531 20 30 BHEDRO C=CC[N@H+](Cc1cccc2[nH]ccc21)C(C)C ZINC000768550314 585540445 /nfs/dbraw/zinc/54/04/45/585540445.db2.gz KSQSZACEZGTDKS-UHFFFAOYSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1C1CC1)C(C)C ZINC000768552540 585540397 /nfs/dbraw/zinc/54/03/97/585540397.db2.gz WDROWVDXWKMZAE-UHFFFAOYSA-N 1 0 229.367 3.960 20 30 BHEDRO CCCCCCCCC[N@H+](C)Cc1cn[nH]c1 ZINC000768993094 585547241 /nfs/dbraw/zinc/54/72/41/585547241.db2.gz UUWIIRGEPNSHTD-UHFFFAOYSA-N 1 0 237.391 3.592 20 30 BHEDRO CCCCCCCCC[N@H+](C)Cc1cc[nH]n1 ZINC000768993201 585547336 /nfs/dbraw/zinc/54/73/36/585547336.db2.gz WIKQDMHOVBYVAH-UHFFFAOYSA-N 1 0 237.391 3.592 20 30 BHEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccoc1 ZINC000769110402 585548940 /nfs/dbraw/zinc/54/89/40/585548940.db2.gz CLNQTXKDTYZJLF-UHFFFAOYSA-N 1 0 241.334 3.510 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H](C)CCC1CC1)c1ccncc1 ZINC000769412719 585556141 /nfs/dbraw/zinc/55/61/41/585556141.db2.gz GJDSIUIZKBKCPI-BBRMVZONSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](C)CCC1CC1)c1ccncc1 ZINC000769412722 585556000 /nfs/dbraw/zinc/55/60/00/585556000.db2.gz GJDSIUIZKBKCPI-CJNGLKHVSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]([NH2+][C@H](C)CCC1CC1)c1ccncc1 ZINC000769412725 585555782 /nfs/dbraw/zinc/55/57/82/585555782.db2.gz GJDSIUIZKBKCPI-CZUORRHYSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccncc1 ZINC000769412727 585555863 /nfs/dbraw/zinc/55/58/63/585555863.db2.gz GJDSIUIZKBKCPI-XJKSGUPXSA-N 1 0 244.382 3.867 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)CCC1CC1)c1ccccc1 ZINC000769415155 585556013 /nfs/dbraw/zinc/55/60/13/585556013.db2.gz WBGBGZBMCIHUDC-PBHICJAKSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)CCC1CC1)c1ccccc1 ZINC000769415158 585555904 /nfs/dbraw/zinc/55/59/04/585555904.db2.gz WBGBGZBMCIHUDC-RHSMWYFYSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccccc1 ZINC000769415160 584964218 /nfs/dbraw/zinc/96/42/18/584964218.db2.gz WBGBGZBMCIHUDC-WMLDXEAASA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)CCC1CC1)c1ccccc1 ZINC000769415165 584964115 /nfs/dbraw/zinc/96/41/15/584964115.db2.gz WBGBGZBMCIHUDC-YOEHRIQHSA-N 1 0 241.378 3.919 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000769445050 585556653 /nfs/dbraw/zinc/55/66/53/585556653.db2.gz CYLQHEKDFXUVCT-UHFFFAOYSA-N 1 0 247.382 3.879 20 30 BHEDRO C=CC[N@@H+](CCCCC(C)(C)C#N)C(C)C ZINC000769708891 585562341 /nfs/dbraw/zinc/56/23/41/585562341.db2.gz MJUWLRKPQPBYRW-UHFFFAOYSA-N 1 0 222.376 3.603 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC12CCOCC2 ZINC000769892835 585566321 /nfs/dbraw/zinc/56/63/21/585566321.db2.gz IVPINBPNFYFFLA-UHFFFAOYSA-N 1 0 239.403 3.602 20 30 BHEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2CCCCCCC2)C1 ZINC000769942019 585566905 /nfs/dbraw/zinc/56/69/05/585566905.db2.gz GQVLDOANWRJKNG-CABCVRRESA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CC[C@H]([NH2+]CC2CCCCCCC2)C1 ZINC000769942020 585566512 /nfs/dbraw/zinc/56/65/12/585566512.db2.gz GQVLDOANWRJKNG-GJZGRUSLSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCCCCCC2)C1 ZINC000769942021 585566666 /nfs/dbraw/zinc/56/66/66/585566666.db2.gz GQVLDOANWRJKNG-HUUCEWRRSA-N 1 0 234.387 3.629 20 30 BHEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2CCCCCCC2)C1 ZINC000769942022 585566718 /nfs/dbraw/zinc/56/67/18/585566718.db2.gz GQVLDOANWRJKNG-LSDHHAIUSA-N 1 0 234.387 3.629 20 30 BHEDRO C#CCCC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000769953510 585567274 /nfs/dbraw/zinc/56/72/74/585567274.db2.gz KWDYYMOVHDGVJN-CHWSQXEVSA-N 1 0 245.341 3.547 20 30 BHEDRO C#CCCC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769953515 585567283 /nfs/dbraw/zinc/56/72/83/585567283.db2.gz KWDYYMOVHDGVJN-OLZOCXBDSA-N 1 0 245.341 3.547 20 30 BHEDRO C#CCCC[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000769953516 585567290 /nfs/dbraw/zinc/56/72/90/585567290.db2.gz KWDYYMOVHDGVJN-QWHCGFSZSA-N 1 0 245.341 3.547 20 30 BHEDRO C#CCCC[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769953519 585567171 /nfs/dbraw/zinc/56/71/71/585567171.db2.gz KWDYYMOVHDGVJN-STQMWFEESA-N 1 0 245.341 3.547 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000769965708 585567838 /nfs/dbraw/zinc/56/78/38/585567838.db2.gz YUIMXINPEMUVOB-INIZCTEOSA-N 1 0 241.378 3.684 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000769965741 585567856 /nfs/dbraw/zinc/56/78/56/585567856.db2.gz YUIMXINPEMUVOB-MRXNPFEDSA-N 1 0 241.378 3.684 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1c(C)onc1CC ZINC000769988107 585568743 /nfs/dbraw/zinc/56/87/43/585568743.db2.gz MYFFWTJQVIRFSM-LLVKDONJSA-N 1 0 236.359 3.552 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1c(C)onc1CC ZINC000769988109 585568562 /nfs/dbraw/zinc/56/85/62/585568562.db2.gz MYFFWTJQVIRFSM-NSHDSACASA-N 1 0 236.359 3.552 20 30 BHEDRO C#CCC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770001628 585569183 /nfs/dbraw/zinc/56/91/83/585569183.db2.gz OLEJJSRQQZYZDZ-HNNXBMFYSA-N 1 0 247.769 3.890 20 30 BHEDRO C#CCC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770001631 585569167 /nfs/dbraw/zinc/56/91/67/585569167.db2.gz OLEJJSRQQZYZDZ-OAHLLOKOSA-N 1 0 247.769 3.890 20 30 BHEDRO C#CC[N@@H+](CC)[C@@H](C)CCSc1ccccc1 ZINC000770171738 585571398 /nfs/dbraw/zinc/57/13/98/585571398.db2.gz KNBJYTHWGLQORY-AWEZNQCLSA-N 1 0 247.407 3.512 20 30 BHEDRO C#CC[N@@H+](CC)[C@H](C)CCSc1ccccc1 ZINC000770171740 585571270 /nfs/dbraw/zinc/57/12/70/585571270.db2.gz KNBJYTHWGLQORY-CQSZACIVSA-N 1 0 247.407 3.512 20 30 BHEDRO C#CC[N@@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000770504403 585575152 /nfs/dbraw/zinc/57/51/52/585575152.db2.gz DWGGKSNHEKQGEQ-AWEZNQCLSA-N 1 0 227.351 3.625 20 30 BHEDRO C#CC[N@@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000770504410 585575398 /nfs/dbraw/zinc/57/53/98/585575398.db2.gz DWGGKSNHEKQGEQ-CQSZACIVSA-N 1 0 227.351 3.625 20 30 BHEDRO C#CCCC[NH2+][C@@H](CCC=C)c1ccccc1 ZINC000772864487 585625761 /nfs/dbraw/zinc/62/57/61/585625761.db2.gz IUSREARBVJQTHA-INIZCTEOSA-N 1 0 227.351 3.697 20 30 BHEDRO C#CCCC[NH2+][C@H](CCC=C)c1ccccc1 ZINC000772864488 585625709 /nfs/dbraw/zinc/62/57/09/585625709.db2.gz IUSREARBVJQTHA-MRXNPFEDSA-N 1 0 227.351 3.697 20 30 BHEDRO C=CC[C@H]([NH2+]C1CC2(CCC2)C1)c1ccncc1 ZINC000772879953 585626058 /nfs/dbraw/zinc/62/60/58/585626058.db2.gz SIPGJCSMQFTOHU-HNNXBMFYSA-N 1 0 242.366 3.621 20 30 BHEDRO C=CC[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccncc1 ZINC000772879956 585626101 /nfs/dbraw/zinc/62/61/01/585626101.db2.gz SIPGJCSMQFTOHU-OAHLLOKOSA-N 1 0 242.366 3.621 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)COc1ccccc1 ZINC000772950712 585627966 /nfs/dbraw/zinc/62/79/66/585627966.db2.gz PDHIOUVRYLMUID-CABCVRRESA-N 1 0 247.382 3.788 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)COc1ccccc1 ZINC000772950713 585627985 /nfs/dbraw/zinc/62/79/85/585627985.db2.gz PDHIOUVRYLMUID-GJZGRUSLSA-N 1 0 247.382 3.788 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)COc1ccccc1 ZINC000772950715 585627914 /nfs/dbraw/zinc/62/79/14/585627914.db2.gz PDHIOUVRYLMUID-HUUCEWRRSA-N 1 0 247.382 3.788 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)COc1ccccc1 ZINC000772950716 585627979 /nfs/dbraw/zinc/62/79/79/585627979.db2.gz PDHIOUVRYLMUID-LSDHHAIUSA-N 1 0 247.382 3.788 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000773003236 585629248 /nfs/dbraw/zinc/62/92/48/585629248.db2.gz BVYJZZIHIRFGCK-HNNXBMFYSA-N 1 0 249.785 3.658 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000773003242 585629310 /nfs/dbraw/zinc/62/93/10/585629310.db2.gz BVYJZZIHIRFGCK-OAHLLOKOSA-N 1 0 249.785 3.658 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000773004596 585629398 /nfs/dbraw/zinc/62/93/98/585629398.db2.gz MLEPYOFGRYXVNB-CABCVRRESA-N 1 0 249.785 3.740 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000773004597 585629390 /nfs/dbraw/zinc/62/93/90/585629390.db2.gz MLEPYOFGRYXVNB-GJZGRUSLSA-N 1 0 249.785 3.740 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000773004599 585629515 /nfs/dbraw/zinc/62/95/15/585629515.db2.gz MLEPYOFGRYXVNB-HUUCEWRRSA-N 1 0 249.785 3.740 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000773004602 585629529 /nfs/dbraw/zinc/62/95/29/585629529.db2.gz MLEPYOFGRYXVNB-LSDHHAIUSA-N 1 0 249.785 3.740 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000773008385 585629507 /nfs/dbraw/zinc/62/95/07/585629507.db2.gz LFCJPSIBYNERPI-BHYGNILZSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000773008386 585629546 /nfs/dbraw/zinc/62/95/46/585629546.db2.gz LFCJPSIBYNERPI-UAGQMJEPSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000773008387 585629476 /nfs/dbraw/zinc/62/94/76/585629476.db2.gz LFCJPSIBYNERPI-USXIJHARSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000773008388 585629489 /nfs/dbraw/zinc/62/94/89/585629489.db2.gz LFCJPSIBYNERPI-XIRDDKMYSA-N 1 0 243.394 3.952 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000773013200 585629468 /nfs/dbraw/zinc/62/94/68/585629468.db2.gz XMZAYQNHJWGVQA-CHWSQXEVSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000773013201 585629612 /nfs/dbraw/zinc/62/96/12/585629612.db2.gz XMZAYQNHJWGVQA-OLZOCXBDSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000773013202 585629481 /nfs/dbraw/zinc/62/94/81/585629481.db2.gz XMZAYQNHJWGVQA-QWHCGFSZSA-N 1 0 233.355 3.701 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000773013203 585629409 /nfs/dbraw/zinc/62/94/09/585629409.db2.gz XMZAYQNHJWGVQA-STQMWFEESA-N 1 0 233.355 3.701 20 30 BHEDRO CCCC[C@H](CC)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030380 585629759 /nfs/dbraw/zinc/62/97/59/585629759.db2.gz QIEYAMSCYVDSTP-AWEZNQCLSA-N 1 0 248.345 3.756 20 30 BHEDRO CCCC[C@@H](CC)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030381 585629683 /nfs/dbraw/zinc/62/96/83/585629683.db2.gz QIEYAMSCYVDSTP-CQSZACIVSA-N 1 0 248.345 3.756 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000773033283 585629842 /nfs/dbraw/zinc/62/98/42/585629842.db2.gz AESZBIQXQNVYMG-GDBMZVCRSA-N 1 0 241.378 3.936 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000773033450 585629695 /nfs/dbraw/zinc/62/96/95/585629695.db2.gz AESZBIQXQNVYMG-GOEBONIOSA-N 1 0 241.378 3.936 20 30 BHEDRO C#CCCCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000773033455 585629811 /nfs/dbraw/zinc/62/98/11/585629811.db2.gz AESZBIQXQNVYMG-HOCLYGCPSA-N 1 0 241.378 3.936 20 30 BHEDRO C#CCCCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000773033465 585629716 /nfs/dbraw/zinc/62/97/16/585629716.db2.gz AESZBIQXQNVYMG-ZBFHGGJFSA-N 1 0 241.378 3.936 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000773035744 585630024 /nfs/dbraw/zinc/63/00/24/585630024.db2.gz JVBLEKVKLRQUIU-GFCCVEGCSA-N 1 0 247.407 3.691 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000773035746 585629939 /nfs/dbraw/zinc/62/99/39/585629939.db2.gz JVBLEKVKLRQUIU-LBPRGKRZSA-N 1 0 247.407 3.691 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000773036715 585629881 /nfs/dbraw/zinc/62/98/81/585629881.db2.gz MLOCRLAGVTXGLV-HNNXBMFYSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000773036716 585629977 /nfs/dbraw/zinc/62/99/77/585629977.db2.gz MLOCRLAGVTXGLV-OAHLLOKOSA-N 1 0 229.367 3.758 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000773038540 585629961 /nfs/dbraw/zinc/62/99/61/585629961.db2.gz TXZHMHQIBDLMNJ-INIZCTEOSA-N 1 0 243.394 3.709 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000773038541 585630030 /nfs/dbraw/zinc/63/00/30/585630030.db2.gz TXZHMHQIBDLMNJ-MRXNPFEDSA-N 1 0 243.394 3.709 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000773038574 585629882 /nfs/dbraw/zinc/62/98/82/585629882.db2.gz UDVJTXIKUJMUCH-KRWDZBQOSA-N 1 0 243.394 3.709 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000773038575 585629954 /nfs/dbraw/zinc/62/99/54/585629954.db2.gz UDVJTXIKUJMUCH-QGZVFWFLSA-N 1 0 243.394 3.709 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000773039272 585629854 /nfs/dbraw/zinc/62/98/54/585629854.db2.gz DPIIPVSFBOBRPV-INIZCTEOSA-N 1 0 241.378 3.802 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000773039274 585629891 /nfs/dbraw/zinc/62/98/91/585629891.db2.gz DPIIPVSFBOBRPV-MRXNPFEDSA-N 1 0 241.378 3.802 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000773039806 585629955 /nfs/dbraw/zinc/62/99/55/585629955.db2.gz YDYXETHTULUSOV-KRWDZBQOSA-N 1 0 241.378 3.921 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000773039807 585629952 /nfs/dbraw/zinc/62/99/52/585629952.db2.gz YDYXETHTULUSOV-QGZVFWFLSA-N 1 0 241.378 3.921 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000773039920 585630070 /nfs/dbraw/zinc/63/00/70/585630070.db2.gz ZHNDHSNERXPAJG-KRWDZBQOSA-N 1 0 241.378 3.766 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000773039922 585629908 /nfs/dbraw/zinc/62/99/08/585629908.db2.gz ZHNDHSNERXPAJG-QGZVFWFLSA-N 1 0 241.378 3.766 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000773040171 585629862 /nfs/dbraw/zinc/62/98/62/585629862.db2.gz KXABJHVSIUBEMN-AWEZNQCLSA-N 1 0 247.357 3.897 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000773040172 585629923 /nfs/dbraw/zinc/62/99/23/585629923.db2.gz KXABJHVSIUBEMN-CQSZACIVSA-N 1 0 247.357 3.897 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000773040816 585630057 /nfs/dbraw/zinc/63/00/57/585630057.db2.gz OIIUQZFQDCXKHM-INIZCTEOSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000773040818 585629925 /nfs/dbraw/zinc/62/99/25/585629925.db2.gz OIIUQZFQDCXKHM-MRXNPFEDSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000773041178 585629883 /nfs/dbraw/zinc/62/98/83/585629883.db2.gz OLEUPBQCUUERSY-HNNXBMFYSA-N 1 0 247.769 3.720 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000773041180 585630005 /nfs/dbraw/zinc/63/00/05/585630005.db2.gz OLEUPBQCUUERSY-OAHLLOKOSA-N 1 0 247.769 3.720 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CCC)Cc1ccccc1 ZINC000773041985 585630065 /nfs/dbraw/zinc/63/00/65/585630065.db2.gz VGDFOSLATCJFNR-KRWDZBQOSA-N 1 0 243.394 3.791 20 30 BHEDRO C#CCCCC[NH2+][C@H](CCC)Cc1ccccc1 ZINC000773041986 585629916 /nfs/dbraw/zinc/62/99/16/585629916.db2.gz VGDFOSLATCJFNR-QGZVFWFLSA-N 1 0 243.394 3.791 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000773042521 585629993 /nfs/dbraw/zinc/62/99/93/585629993.db2.gz WDCFYEQRVLLMFJ-DLBZAZTESA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000773042523 585630035 /nfs/dbraw/zinc/63/00/35/585630035.db2.gz WDCFYEQRVLLMFJ-IAGOWNOFSA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000773042525 585629873 /nfs/dbraw/zinc/62/98/73/585629873.db2.gz WDCFYEQRVLLMFJ-IRXDYDNUSA-N 1 0 241.378 3.716 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000773042526 585630066 /nfs/dbraw/zinc/63/00/66/585630066.db2.gz WDCFYEQRVLLMFJ-SJORKVTESA-N 1 0 241.378 3.716 20 30 BHEDRO C#CC[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000773104761 585631339 /nfs/dbraw/zinc/63/13/39/585631339.db2.gz FTXPIJHTTQLHMT-INIZCTEOSA-N 1 0 227.351 3.673 20 30 BHEDRO C#CC[C@@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000773104762 585631356 /nfs/dbraw/zinc/63/13/56/585631356.db2.gz FTXPIJHTTQLHMT-MRXNPFEDSA-N 1 0 227.351 3.673 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)CC1CCC1)c1ccccc1 ZINC000773108270 585631565 /nfs/dbraw/zinc/63/15/65/585631565.db2.gz VIOXHIAHMZMGOW-PBHICJAKSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)CC1CCC1)c1ccccc1 ZINC000773108271 585631386 /nfs/dbraw/zinc/63/13/86/585631386.db2.gz VIOXHIAHMZMGOW-RHSMWYFYSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccccc1 ZINC000773108272 585631440 /nfs/dbraw/zinc/63/14/40/585631440.db2.gz VIOXHIAHMZMGOW-WMLDXEAASA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)CC1CCC1)c1ccccc1 ZINC000773108273 585631608 /nfs/dbraw/zinc/63/16/08/585631608.db2.gz VIOXHIAHMZMGOW-YOEHRIQHSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000773112924 585631567 /nfs/dbraw/zinc/63/15/67/585631567.db2.gz BSFAXMPOFSJEAH-BBRMVZONSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)CC1CC1)c1ccccc1 ZINC000773112925 585631487 /nfs/dbraw/zinc/63/14/87/585631487.db2.gz BSFAXMPOFSJEAH-CJNGLKHVSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)CC1CC1)c1ccccc1 ZINC000773112926 585631595 /nfs/dbraw/zinc/63/15/95/585631595.db2.gz BSFAXMPOFSJEAH-CZUORRHYSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000773112927 585631499 /nfs/dbraw/zinc/63/14/99/585631499.db2.gz BSFAXMPOFSJEAH-XJKSGUPXSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000773113182 585631564 /nfs/dbraw/zinc/63/15/64/585631564.db2.gz CDTUGGVXZSJJRG-OIISXLGYSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000773113183 585631427 /nfs/dbraw/zinc/63/14/27/585631427.db2.gz CDTUGGVXZSJJRG-PVAVHDDUSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000773113184 585631407 /nfs/dbraw/zinc/63/14/07/585631407.db2.gz CDTUGGVXZSJJRG-UAGQMJEPSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000773113186 585631524 /nfs/dbraw/zinc/63/15/24/585631524.db2.gz CDTUGGVXZSJJRG-XIRDDKMYSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000773113282 585631501 /nfs/dbraw/zinc/63/15/01/585631501.db2.gz CXOXUKPTZMYTAI-PBHICJAKSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000773113284 585631515 /nfs/dbraw/zinc/63/15/15/585631515.db2.gz CXOXUKPTZMYTAI-RHSMWYFYSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000773113286 585631347 /nfs/dbraw/zinc/63/13/47/585631347.db2.gz CXOXUKPTZMYTAI-WMLDXEAASA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000773113287 585631323 /nfs/dbraw/zinc/63/13/23/585631323.db2.gz CXOXUKPTZMYTAI-YOEHRIQHSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000773113850 585631706 /nfs/dbraw/zinc/63/17/06/585631706.db2.gz FVDHEDASJRDBKL-BDVYOWHSSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000773113851 585631762 /nfs/dbraw/zinc/63/17/62/585631762.db2.gz FVDHEDASJRDBKL-PREGVCBESA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](CC)C1CC1)c1ccccc1 ZINC000773114234 585631811 /nfs/dbraw/zinc/63/18/11/585631811.db2.gz HHQNQJNEFRRSDY-CVEARBPZSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](CC)C1CC1)c1ccccc1 ZINC000773114236 585631802 /nfs/dbraw/zinc/63/18/02/585631802.db2.gz HHQNQJNEFRRSDY-HOTGVXAUSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](CC)C1CC1)c1ccccc1 ZINC000773114238 585631730 /nfs/dbraw/zinc/63/17/30/585631730.db2.gz HHQNQJNEFRRSDY-HZPDHXFCSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1ccccc1 ZINC000773114240 585631791 /nfs/dbraw/zinc/63/17/91/585631791.db2.gz HHQNQJNEFRRSDY-JKSUJKDBSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)[C@H](C)CC=C)c1ccccc1 ZINC000773114660 585631641 /nfs/dbraw/zinc/63/16/41/585631641.db2.gz JLADBSOLCFRBKQ-INMHGKMJSA-N 1 0 241.378 3.941 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)[C@@H](C)CC=C)c1ccccc1 ZINC000773114661 585631660 /nfs/dbraw/zinc/63/16/60/585631660.db2.gz JLADBSOLCFRBKQ-UXLLHSPISA-N 1 0 241.378 3.941 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)[C@H](C)CC=C)c1ccccc1 ZINC000773114662 585631829 /nfs/dbraw/zinc/63/18/29/585631829.db2.gz JLADBSOLCFRBKQ-VYDXJSESSA-N 1 0 241.378 3.941 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC=C)c1ccccc1 ZINC000773114663 585631899 /nfs/dbraw/zinc/63/18/99/585631899.db2.gz JLADBSOLCFRBKQ-ZOBUZTSGSA-N 1 0 241.378 3.941 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000773114764 585631703 /nfs/dbraw/zinc/63/17/03/585631703.db2.gz JRTIXNZPAMSSTL-BBRMVZONSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000773114766 585631728 /nfs/dbraw/zinc/63/17/28/585631728.db2.gz JRTIXNZPAMSSTL-CJNGLKHVSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000773114768 585631788 /nfs/dbraw/zinc/63/17/88/585631788.db2.gz JRTIXNZPAMSSTL-CZUORRHYSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000773114769 585631892 /nfs/dbraw/zinc/63/18/92/585631892.db2.gz JRTIXNZPAMSSTL-XJKSGUPXSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)CCCC)c1ccccc1 ZINC000773115189 585631879 /nfs/dbraw/zinc/63/18/79/585631879.db2.gz MXUFBZGVSHJKLP-GDBMZVCRSA-N 1 0 229.367 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)CCCC)c1ccccc1 ZINC000773115190 585631668 /nfs/dbraw/zinc/63/16/68/585631668.db2.gz MXUFBZGVSHJKLP-GOEBONIOSA-N 1 0 229.367 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)CCCC)c1ccccc1 ZINC000773115191 585631479 /nfs/dbraw/zinc/63/14/79/585631479.db2.gz MXUFBZGVSHJKLP-HOCLYGCPSA-N 1 0 229.367 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)CCCC)c1ccccc1 ZINC000773115192 585631509 /nfs/dbraw/zinc/63/15/09/585631509.db2.gz MXUFBZGVSHJKLP-ZBFHGGJFSA-N 1 0 229.367 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000773117028 585631619 /nfs/dbraw/zinc/63/16/19/585631619.db2.gz SZCSNODIILXMFH-BMFZPTHFSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000773117029 585631804 /nfs/dbraw/zinc/63/18/04/585631804.db2.gz SZCSNODIILXMFH-BPUTZDHNSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000773117031 585021389 /nfs/dbraw/zinc/02/13/89/585021389.db2.gz SZCSNODIILXMFH-IMJJTQAJSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1 ZINC000773117033 585021249 /nfs/dbraw/zinc/02/12/49/585021249.db2.gz SZCSNODIILXMFH-KBMXLJTQSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)c1ccccc1 ZINC000773117083 585021128 /nfs/dbraw/zinc/02/11/28/585021128.db2.gz UAJHGUPQGJIXJB-DZKIICNBSA-N 1 0 229.367 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)[C@H](C)CC)c1ccccc1 ZINC000773117085 585021260 /nfs/dbraw/zinc/02/12/60/585021260.db2.gz UAJHGUPQGJIXJB-FMKPAKJESA-N 1 0 229.367 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)c1ccccc1 ZINC000773117093 585021351 /nfs/dbraw/zinc/02/13/51/585021351.db2.gz UAJHGUPQGJIXJB-LZWOXQAQSA-N 1 0 229.367 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)[C@H](C)CC)c1ccccc1 ZINC000773117110 585021301 /nfs/dbraw/zinc/02/13/01/585021301.db2.gz UAJHGUPQGJIXJB-YCPHGPKFSA-N 1 0 229.367 3.775 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)CC(C)C)c1ccccc1 ZINC000773117502 585631657 /nfs/dbraw/zinc/63/16/57/585631657.db2.gz VXQOUQOYQKOOCU-GDBMZVCRSA-N 1 0 229.367 3.775 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1ccccc1 ZINC000773117506 585631702 /nfs/dbraw/zinc/63/17/02/585631702.db2.gz VXQOUQOYQKOOCU-GOEBONIOSA-N 1 0 229.367 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)CC(C)C)c1ccccc1 ZINC000773117510 585631891 /nfs/dbraw/zinc/63/18/91/585631891.db2.gz VXQOUQOYQKOOCU-HOCLYGCPSA-N 1 0 229.367 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)CC(C)C)c1ccccc1 ZINC000773117513 585631876 /nfs/dbraw/zinc/63/18/76/585631876.db2.gz VXQOUQOYQKOOCU-ZBFHGGJFSA-N 1 0 229.367 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000773117826 585631722 /nfs/dbraw/zinc/63/17/22/585631722.db2.gz XNHCBJWMSUFUCL-OIISXLGYSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000773117827 585631775 /nfs/dbraw/zinc/63/17/75/585631775.db2.gz XNHCBJWMSUFUCL-PVAVHDDUSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000773117835 585631713 /nfs/dbraw/zinc/63/17/13/585631713.db2.gz XNHCBJWMSUFUCL-UAGQMJEPSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000773117837 585631747 /nfs/dbraw/zinc/63/17/47/585631747.db2.gz XNHCBJWMSUFUCL-XIRDDKMYSA-N 1 0 241.378 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000773117839 585631704 /nfs/dbraw/zinc/63/17/04/585631704.db2.gz XNUDEMSYWALXNR-BBRMVZONSA-N 1 0 239.318 3.695 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)c1ccoc1)c1ccccc1 ZINC000773117846 585021243 /nfs/dbraw/zinc/02/12/43/585021243.db2.gz XNUDEMSYWALXNR-CJNGLKHVSA-N 1 0 239.318 3.695 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccoc1)c1ccccc1 ZINC000773117852 585021386 /nfs/dbraw/zinc/02/13/86/585021386.db2.gz XNUDEMSYWALXNR-CZUORRHYSA-N 1 0 239.318 3.695 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000773117860 585021245 /nfs/dbraw/zinc/02/12/45/585021245.db2.gz XNUDEMSYWALXNR-XJKSGUPXSA-N 1 0 239.318 3.695 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000773118329 585631833 /nfs/dbraw/zinc/63/18/33/585631833.db2.gz YZGDPUPFBPFPMK-BMFZPTHFSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000773118332 585631727 /nfs/dbraw/zinc/63/17/27/585631727.db2.gz YZGDPUPFBPFPMK-BPUTZDHNSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC000773118352 585631679 /nfs/dbraw/zinc/63/16/79/585631679.db2.gz YZGDPUPFBPFPMK-IMJJTQAJSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000773118357 585631888 /nfs/dbraw/zinc/63/18/88/585631888.db2.gz YZGDPUPFBPFPMK-KBMXLJTQSA-N 1 0 227.351 3.529 20 30 BHEDRO C=C(CC)CSCC[NH+](C(C)C)C(C)C ZINC000773216206 585633837 /nfs/dbraw/zinc/63/38/37/585633837.db2.gz JDGJLOQAHURZGY-UHFFFAOYSA-N 1 0 229.433 3.805 20 30 BHEDRO C=C(CC)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000773409217 585636303 /nfs/dbraw/zinc/63/63/03/585636303.db2.gz LBKXMJDPLDOBAX-CYBMUJFWSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(CC)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000773409221 585636297 /nfs/dbraw/zinc/63/62/97/585636297.db2.gz LBKXMJDPLDOBAX-ZDUSSCGKSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(CC)C[N@H+](CCc1ccccc1)C1CC1 ZINC000773413415 585636488 /nfs/dbraw/zinc/63/64/88/585636488.db2.gz GDNHUHGHKJDTIU-UHFFFAOYSA-N 1 0 229.367 3.660 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000773427215 585636682 /nfs/dbraw/zinc/63/66/82/585636682.db2.gz FDRLNXNQGGYYTP-AWEZNQCLSA-N 1 0 247.382 3.925 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000773427219 585636617 /nfs/dbraw/zinc/63/66/17/585636617.db2.gz FDRLNXNQGGYYTP-CQSZACIVSA-N 1 0 247.382 3.925 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000773427407 585636710 /nfs/dbraw/zinc/63/67/10/585636710.db2.gz GRMFEGDUVUWQEX-AWEZNQCLSA-N 1 0 242.366 3.783 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000773427421 585636643 /nfs/dbraw/zinc/63/66/43/585636643.db2.gz GRMFEGDUVUWQEX-CQSZACIVSA-N 1 0 242.366 3.783 20 30 BHEDRO CCCCCCC[NH+]1CCC(C)(COC)CC1 ZINC000773727615 585642848 /nfs/dbraw/zinc/64/28/48/585642848.db2.gz RQXRIGLUYMFJKF-UHFFFAOYSA-N 1 0 241.419 3.705 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(N(C)CC)cc1)C(C)C ZINC000773731507 585642922 /nfs/dbraw/zinc/64/29/22/585642922.db2.gz UUAKRELOTRSPLC-UHFFFAOYSA-N 1 0 246.398 3.539 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(N(C)CC)cc1 ZINC000773735004 585642869 /nfs/dbraw/zinc/64/28/69/585642869.db2.gz WBYZVIOWOKHUTO-UHFFFAOYSA-N 1 0 246.398 3.541 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773753598 644696404 /nfs/dbraw/zinc/69/64/04/644696404.db2.gz LDGKSHNSVADXPV-UHFFFAOYSA-N 1 0 246.398 3.541 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000773934951 585646665 /nfs/dbraw/zinc/64/66/65/585646665.db2.gz NWKGTGPOSVCRBQ-CYBMUJFWSA-N 1 0 237.774 3.610 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000773935036 585646786 /nfs/dbraw/zinc/64/67/86/585646786.db2.gz NWKGTGPOSVCRBQ-ZDUSSCGKSA-N 1 0 237.774 3.610 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000773976821 585647668 /nfs/dbraw/zinc/64/76/68/585647668.db2.gz NLUBZWFCMRTOAM-NSHDSACASA-N 1 0 215.768 3.640 20 30 BHEDRO C#CCCC[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000774211639 585654030 /nfs/dbraw/zinc/65/40/30/585654030.db2.gz VDDNFOKSLRIARW-DLBZAZTESA-N 1 0 241.378 3.874 20 30 BHEDRO C#CCCC[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000774211642 585654034 /nfs/dbraw/zinc/65/40/34/585654034.db2.gz VDDNFOKSLRIARW-IAGOWNOFSA-N 1 0 241.378 3.874 20 30 BHEDRO C#CCCC[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000774211645 585654131 /nfs/dbraw/zinc/65/41/31/585654131.db2.gz VDDNFOKSLRIARW-IRXDYDNUSA-N 1 0 241.378 3.874 20 30 BHEDRO C#CCCC[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000774211649 585653931 /nfs/dbraw/zinc/65/39/31/585653931.db2.gz VDDNFOKSLRIARW-SJORKVTESA-N 1 0 241.378 3.874 20 30 BHEDRO CC[C@H]([NH2+]CCC1CCC1)c1ccc(C#N)cc1 ZINC000774258568 585655148 /nfs/dbraw/zinc/65/51/48/585655148.db2.gz CRFXGCGZHXGWER-INIZCTEOSA-N 1 0 242.366 3.789 20 30 BHEDRO CC[C@@H]([NH2+]CCC1CCC1)c1ccc(C#N)cc1 ZINC000774258569 585655116 /nfs/dbraw/zinc/65/51/16/585655116.db2.gz CRFXGCGZHXGWER-MRXNPFEDSA-N 1 0 242.366 3.789 20 30 BHEDRO CC[C@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(C#N)cc1 ZINC000774283522 585655886 /nfs/dbraw/zinc/65/58/86/585655886.db2.gz NGQVUXAIVYURRP-DOMZBBRYSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(C#N)cc1 ZINC000774283524 585655888 /nfs/dbraw/zinc/65/58/88/585655888.db2.gz NGQVUXAIVYURRP-IUODEOHRSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(C#N)cc1 ZINC000774283526 585655818 /nfs/dbraw/zinc/65/58/18/585655818.db2.gz NGQVUXAIVYURRP-SWLSCSKDSA-N 1 0 242.366 3.788 20 30 BHEDRO CC[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(C#N)cc1 ZINC000774283527 585655761 /nfs/dbraw/zinc/65/57/61/585655761.db2.gz NGQVUXAIVYURRP-WFASDCNBSA-N 1 0 242.366 3.788 20 30 BHEDRO c1ccc2c(c1)NCCCC2=[NH+]OC1CCCC1 ZINC000774398007 585657383 /nfs/dbraw/zinc/65/73/83/585657383.db2.gz CNHWTEPQSQZLJA-UHFFFAOYSA-N 1 0 244.338 3.556 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000774443244 585659402 /nfs/dbraw/zinc/65/94/02/585659402.db2.gz OPRRKVMGYDFFSB-INIZCTEOSA-N 1 0 229.367 3.695 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000774443246 585659359 /nfs/dbraw/zinc/65/93/59/585659359.db2.gz OPRRKVMGYDFFSB-MRXNPFEDSA-N 1 0 229.367 3.695 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000774446338 585659375 /nfs/dbraw/zinc/65/93/75/585659375.db2.gz ZWUQTNCRYGNJIS-INIZCTEOSA-N 1 0 245.341 3.588 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000774446339 585659322 /nfs/dbraw/zinc/65/93/22/585659322.db2.gz ZWUQTNCRYGNJIS-MRXNPFEDSA-N 1 0 245.341 3.588 20 30 BHEDRO Cc1cc(C[NH+]2CCCCCCC2)ccc1C#N ZINC000774821034 585666933 /nfs/dbraw/zinc/66/69/33/585666933.db2.gz TUFAJJBHCNIHCX-UHFFFAOYSA-N 1 0 242.366 3.633 20 30 BHEDRO CCCCCCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000774859054 585667937 /nfs/dbraw/zinc/66/79/37/585667937.db2.gz ZVRQPKFJYOCLCZ-INIZCTEOSA-N 1 0 249.398 3.670 20 30 BHEDRO CCCCCCC[NH2+][C@H](CCO)c1ccccc1 ZINC000774859056 585667976 /nfs/dbraw/zinc/66/79/76/585667976.db2.gz ZVRQPKFJYOCLCZ-MRXNPFEDSA-N 1 0 249.398 3.670 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000774982121 585670151 /nfs/dbraw/zinc/67/01/51/585670151.db2.gz OQSHAEOSSWKYBY-AWEZNQCLSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000774982122 585670004 /nfs/dbraw/zinc/67/00/04/585670004.db2.gz OQSHAEOSSWKYBY-CQSZACIVSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@H](CC)c1ccccc1OC ZINC000775082334 585671938 /nfs/dbraw/zinc/67/19/38/585671938.db2.gz XAISXKRTEHNAJR-DZGCQCFKSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000775082336 585671997 /nfs/dbraw/zinc/67/19/97/585671997.db2.gz XAISXKRTEHNAJR-HIFRSBDPSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@@H](C)[NH2+][C@H](CC)c1ccccc1OC ZINC000775082338 585672002 /nfs/dbraw/zinc/67/20/02/585672002.db2.gz XAISXKRTEHNAJR-UKRRQHHQSA-N 1 0 245.366 3.538 20 30 BHEDRO CCC#C[C@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000775082339 585671893 /nfs/dbraw/zinc/67/18/93/585671893.db2.gz XAISXKRTEHNAJR-ZFWWWQNUSA-N 1 0 245.366 3.538 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC)c1ccccc1OCC ZINC000775084379 585672054 /nfs/dbraw/zinc/67/20/54/585672054.db2.gz DTLCHHUQGLBQTF-HNNXBMFYSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCCC[NH2+][C@H](CC)c1ccccc1OCC ZINC000775084380 585672012 /nfs/dbraw/zinc/67/20/12/585672012.db2.gz DTLCHHUQGLBQTF-OAHLLOKOSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccccc1)C(CC)CC ZINC000775130259 585672665 /nfs/dbraw/zinc/67/26/65/585672665.db2.gz NTFMPTIUUXERTN-INIZCTEOSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccccc1)C(CC)CC ZINC000775130260 585672489 /nfs/dbraw/zinc/67/24/89/585672489.db2.gz NTFMPTIUUXERTN-MRXNPFEDSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000775132666 585672677 /nfs/dbraw/zinc/67/26/77/585672677.db2.gz AGYLILMMHKXIKC-AWEZNQCLSA-N 1 0 233.330 3.526 20 30 BHEDRO C#CC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000775132668 585672562 /nfs/dbraw/zinc/67/25/62/585672562.db2.gz AGYLILMMHKXIKC-CQSZACIVSA-N 1 0 233.330 3.526 20 30 BHEDRO C#CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000775137279 585672502 /nfs/dbraw/zinc/67/25/02/585672502.db2.gz PLCJIGULKSKQLQ-HNNXBMFYSA-N 1 0 247.357 3.916 20 30 BHEDRO C#CCC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000775137280 585672491 /nfs/dbraw/zinc/67/24/91/585672491.db2.gz PLCJIGULKSKQLQ-OAHLLOKOSA-N 1 0 247.357 3.916 20 30 BHEDRO C=CCC[C@H](C)N(CCC)c1ccc(C[NH3+])cc1 ZINC000775139967 585672553 /nfs/dbraw/zinc/67/25/53/585672553.db2.gz HASWXZUJKHUYNE-AWEZNQCLSA-N 1 0 246.398 3.716 20 30 BHEDRO C=CCC[C@@H](C)N(CCC)c1ccc(C[NH3+])cc1 ZINC000775139969 585672451 /nfs/dbraw/zinc/67/24/51/585672451.db2.gz HASWXZUJKHUYNE-CQSZACIVSA-N 1 0 246.398 3.716 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000775175623 644700475 /nfs/dbraw/zinc/70/04/75/644700475.db2.gz DENVJRODGHFZRH-INIZCTEOSA-N 1 0 245.341 3.670 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000775175625 644701367 /nfs/dbraw/zinc/70/13/67/644701367.db2.gz DENVJRODGHFZRH-MRXNPFEDSA-N 1 0 245.341 3.670 20 30 BHEDRO C=CC[C@@H]1[N@@H+](Cc2ccoc2)CCCC1(C)C ZINC000775177935 585672882 /nfs/dbraw/zinc/67/28/82/585672882.db2.gz DPXMSIVMOCHBPN-AWEZNQCLSA-N 1 0 233.355 3.846 20 30 BHEDRO C=CC[C@H]1[N@@H+](Cc2ccoc2)CCCC1(C)C ZINC000775177937 585672977 /nfs/dbraw/zinc/67/29/77/585672977.db2.gz DPXMSIVMOCHBPN-CQSZACIVSA-N 1 0 233.355 3.846 20 30 BHEDRO C#C[C@@H](C)[N@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000775178335 585672917 /nfs/dbraw/zinc/67/29/17/585672917.db2.gz GVVVNJSPAQLZHG-CYBMUJFWSA-N 1 0 241.334 3.503 20 30 BHEDRO C#C[C@H](C)[N@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000775178336 585673234 /nfs/dbraw/zinc/67/32/34/585673234.db2.gz GVVVNJSPAQLZHG-ZDUSSCGKSA-N 1 0 241.334 3.503 20 30 BHEDRO C=CC[C@@H]1[N@@H+](C[C@H]2CCC=CO2)CCCC1(C)C ZINC000775179155 585672792 /nfs/dbraw/zinc/67/27/92/585672792.db2.gz LJMKTPAGYINBNJ-CABCVRRESA-N 1 0 249.398 3.746 20 30 BHEDRO C=CC[C@@H]1[N@@H+](C[C@@H]2CCC=CO2)CCCC1(C)C ZINC000775179156 585673258 /nfs/dbraw/zinc/67/32/58/585673258.db2.gz LJMKTPAGYINBNJ-GJZGRUSLSA-N 1 0 249.398 3.746 20 30 BHEDRO C=CC[C@H]1[N@@H+](C[C@H]2CCC=CO2)CCCC1(C)C ZINC000775179157 585673123 /nfs/dbraw/zinc/67/31/23/585673123.db2.gz LJMKTPAGYINBNJ-HUUCEWRRSA-N 1 0 249.398 3.746 20 30 BHEDRO C=CC[C@H]1[N@@H+](C[C@@H]2CCC=CO2)CCCC1(C)C ZINC000775179159 585673162 /nfs/dbraw/zinc/67/31/62/585673162.db2.gz LJMKTPAGYINBNJ-LSDHHAIUSA-N 1 0 249.398 3.746 20 30 BHEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](CCC)c1ccccc1 ZINC000775180526 585672941 /nfs/dbraw/zinc/67/29/41/585672941.db2.gz ZCSYDSVDNLNKDF-GDBMZVCRSA-N 1 0 229.367 3.524 20 30 BHEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](CCC)c1ccccc1 ZINC000775180527 585672887 /nfs/dbraw/zinc/67/28/87/585672887.db2.gz ZCSYDSVDNLNKDF-GOEBONIOSA-N 1 0 229.367 3.524 20 30 BHEDRO C#C[C@H](C)[N@@H+](C)C[C@H](CCC)c1ccccc1 ZINC000775180528 585673228 /nfs/dbraw/zinc/67/32/28/585673228.db2.gz ZCSYDSVDNLNKDF-HOCLYGCPSA-N 1 0 229.367 3.524 20 30 BHEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](CCC)c1ccccc1 ZINC000775180529 585673101 /nfs/dbraw/zinc/67/31/01/585673101.db2.gz ZCSYDSVDNLNKDF-ZBFHGGJFSA-N 1 0 229.367 3.524 20 30 BHEDRO C#C[C@H](C)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000775183039 633846828 /nfs/dbraw/zinc/84/68/28/633846828.db2.gz GQPFWPKDBDVJNV-HNNXBMFYSA-N 1 0 249.357 3.807 20 30 BHEDRO C#C[C@@H](C)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000775183040 633846543 /nfs/dbraw/zinc/84/65/43/633846543.db2.gz GQPFWPKDBDVJNV-OAHLLOKOSA-N 1 0 249.357 3.807 20 30 BHEDRO C#CCCCC[NH2+]Cc1cccc(CCC)c1 ZINC000775310300 585675285 /nfs/dbraw/zinc/67/52/85/585675285.db2.gz MPWCPAUSIQVLMH-UHFFFAOYSA-N 1 0 229.367 3.532 20 30 BHEDRO C#CCC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000775350338 585676149 /nfs/dbraw/zinc/67/61/49/585676149.db2.gz AHRSZKXVQOTRJJ-CYBMUJFWSA-N 1 0 247.407 3.861 20 30 BHEDRO C#CCC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000775350339 585676186 /nfs/dbraw/zinc/67/61/86/585676186.db2.gz AHRSZKXVQOTRJJ-ZDUSSCGKSA-N 1 0 247.407 3.861 20 30 BHEDRO C#CCC[NH2+][C@@H](CCCC)c1ccc(OC)cc1 ZINC000775354796 585676600 /nfs/dbraw/zinc/67/66/00/585676600.db2.gz CVKIKTWSBZPESD-INIZCTEOSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCC[NH2+][C@H](CCCC)c1ccc(OC)cc1 ZINC000775354797 585676546 /nfs/dbraw/zinc/67/65/46/585676546.db2.gz CVKIKTWSBZPESD-MRXNPFEDSA-N 1 0 245.366 3.539 20 30 BHEDRO C#CCC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000775365703 585676566 /nfs/dbraw/zinc/67/65/66/585676566.db2.gz QBJOJMNXMHWRSU-UHFFFAOYSA-N 1 0 249.357 3.563 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000775379333 585676787 /nfs/dbraw/zinc/67/67/87/585676787.db2.gz QZGMWFIDEFSGQZ-HNNXBMFYSA-N 1 0 247.769 3.794 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000775379334 585676411 /nfs/dbraw/zinc/67/64/11/585676411.db2.gz QZGMWFIDEFSGQZ-OAHLLOKOSA-N 1 0 247.769 3.794 20 30 BHEDRO CC[C@](C)([NH2+]CCCCC#N)c1ccccc1 ZINC000775389820 585677283 /nfs/dbraw/zinc/67/72/83/585677283.db2.gz HOJXAHHXWCBSHK-HNNXBMFYSA-N 1 0 230.355 3.595 20 30 BHEDRO CC[C@@](C)([NH2+]CCCCC#N)c1ccccc1 ZINC000775389821 585677183 /nfs/dbraw/zinc/67/71/83/585677183.db2.gz HOJXAHHXWCBSHK-OAHLLOKOSA-N 1 0 230.355 3.595 20 30 BHEDRO C#CC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000775399141 585677543 /nfs/dbraw/zinc/67/75/43/585677543.db2.gz PPNUUBYOLMFRHE-HNNXBMFYSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000775399143 585677480 /nfs/dbraw/zinc/67/74/80/585677480.db2.gz PPNUUBYOLMFRHE-OAHLLOKOSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CC[C@H]([NH2+]CCC1CCCC1)c1ccccc1 ZINC000775400182 585677584 /nfs/dbraw/zinc/67/75/84/585677584.db2.gz MKTOCRBZADRPOK-KRWDZBQOSA-N 1 0 241.378 3.921 20 30 BHEDRO C#CC[C@@H]([NH2+]CCC1CCCC1)c1ccccc1 ZINC000775400183 585677508 /nfs/dbraw/zinc/67/75/08/585677508.db2.gz MKTOCRBZADRPOK-QGZVFWFLSA-N 1 0 241.378 3.921 20 30 BHEDRO C#CC[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000775401102 585677488 /nfs/dbraw/zinc/67/74/88/585677488.db2.gz QISYGRLOBHCLLZ-GOSISDBHSA-N 1 0 249.357 3.583 20 30 BHEDRO C#CC[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000775401105 585677489 /nfs/dbraw/zinc/67/74/89/585677489.db2.gz QISYGRLOBHCLLZ-SFHVURJKSA-N 1 0 249.357 3.583 20 30 BHEDRO C#CC[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000775401593 585677447 /nfs/dbraw/zinc/67/74/47/585677447.db2.gz VWSSEBHLNKQNKW-INIZCTEOSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CC[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000775401594 585677472 /nfs/dbraw/zinc/67/74/72/585677472.db2.gz VWSSEBHLNKQNKW-MRXNPFEDSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000775405297 585677691 /nfs/dbraw/zinc/67/76/91/585677691.db2.gz BOSGDWWCQMVUKF-INIZCTEOSA-N 1 0 229.367 3.695 20 30 BHEDRO C#CCC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000775405298 585677524 /nfs/dbraw/zinc/67/75/24/585677524.db2.gz BOSGDWWCQMVUKF-MRXNPFEDSA-N 1 0 229.367 3.695 20 30 BHEDRO C#CC[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC000775407846 585677602 /nfs/dbraw/zinc/67/76/02/585677602.db2.gz GRVUYNHGKAOXAF-HNNXBMFYSA-N 1 0 241.334 3.661 20 30 BHEDRO C#CC[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC000775407848 585677733 /nfs/dbraw/zinc/67/77/33/585677733.db2.gz GRVUYNHGKAOXAF-OAHLLOKOSA-N 1 0 241.334 3.661 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000775416882 585677727 /nfs/dbraw/zinc/67/77/27/585677727.db2.gz ZJFVCIIFUNXCIZ-PBHICJAKSA-N 1 0 241.378 3.703 20 30 BHEDRO C#CCCCC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000775416883 585677690 /nfs/dbraw/zinc/67/76/90/585677690.db2.gz ZJFVCIIFUNXCIZ-RHSMWYFYSA-N 1 0 241.378 3.703 20 30 BHEDRO C#CCCCC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000775416884 585677664 /nfs/dbraw/zinc/67/76/64/585677664.db2.gz ZJFVCIIFUNXCIZ-WMLDXEAASA-N 1 0 241.378 3.703 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000775416885 585677486 /nfs/dbraw/zinc/67/74/86/585677486.db2.gz ZJFVCIIFUNXCIZ-YOEHRIQHSA-N 1 0 241.378 3.703 20 30 BHEDRO CCCCCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000775428480 585677893 /nfs/dbraw/zinc/67/78/93/585677893.db2.gz CWANYQBFYHKCJN-UHFFFAOYSA-N 1 0 242.366 3.717 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000775462756 585678342 /nfs/dbraw/zinc/67/83/42/585678342.db2.gz DQNUFHPCXULCAS-HNNXBMFYSA-N 1 0 229.367 3.695 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000775462757 585678280 /nfs/dbraw/zinc/67/82/80/585678280.db2.gz DQNUFHPCXULCAS-OAHLLOKOSA-N 1 0 229.367 3.695 20 30 BHEDRO C#CCC[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000775523156 585678857 /nfs/dbraw/zinc/67/88/57/585678857.db2.gz FLDALIWMJBBDPI-HNNXBMFYSA-N 1 0 229.367 3.695 20 30 BHEDRO C#CCC[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000775523157 585678953 /nfs/dbraw/zinc/67/89/53/585678953.db2.gz FLDALIWMJBBDPI-OAHLLOKOSA-N 1 0 229.367 3.695 20 30 BHEDRO C#CCC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000775537307 585679280 /nfs/dbraw/zinc/67/92/80/585679280.db2.gz CMJHLDHQFHEOTP-UHFFFAOYSA-N 1 0 247.769 3.722 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000775540187 585679287 /nfs/dbraw/zinc/67/92/87/585679287.db2.gz QWDLBCDUOGUJPO-INIZCTEOSA-N 1 0 245.341 3.670 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000775540188 585679145 /nfs/dbraw/zinc/67/91/45/585679145.db2.gz QWDLBCDUOGUJPO-MRXNPFEDSA-N 1 0 245.341 3.670 20 30 BHEDRO C#CCC[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000775551091 585679281 /nfs/dbraw/zinc/67/92/81/585679281.db2.gz SQCCDSWSXWRZIF-KRWDZBQOSA-N 1 0 241.378 3.921 20 30 BHEDRO C#CCC[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000775551092 585679222 /nfs/dbraw/zinc/67/92/22/585679222.db2.gz SQCCDSWSXWRZIF-QGZVFWFLSA-N 1 0 241.378 3.921 20 30 BHEDRO CCCCCCCC[NH+]1CCC(C)(OC)CC1 ZINC000775557959 585679677 /nfs/dbraw/zinc/67/96/77/585679677.db2.gz MIHCYBIYRCVUHS-UHFFFAOYSA-N 1 0 241.419 3.848 20 30 BHEDRO C=C(C)CC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000775562481 585679548 /nfs/dbraw/zinc/67/95/48/585679548.db2.gz HDELOPODJJOWKY-CYBMUJFWSA-N 1 0 215.340 3.572 20 30 BHEDRO C=C(C)CC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000775562483 585679500 /nfs/dbraw/zinc/67/95/00/585679500.db2.gz HDELOPODJJOWKY-ZDUSSCGKSA-N 1 0 215.340 3.572 20 30 BHEDRO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000775576824 585680860 /nfs/dbraw/zinc/68/08/60/585680860.db2.gz FZIYIBYTSYSKQA-UHFFFAOYSA-N 1 0 244.382 3.718 20 30 BHEDRO C=C(C)CC[N@H+](CCc1ccccc1)C1CC1 ZINC000775587257 585681050 /nfs/dbraw/zinc/68/10/50/585681050.db2.gz VHXFCUXUWJDKAD-UHFFFAOYSA-N 1 0 229.367 3.660 20 30 BHEDRO C=C(C)CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000775609356 585681303 /nfs/dbraw/zinc/68/13/03/585681303.db2.gz NOECMHIWKYEDHH-UHFFFAOYSA-N 1 0 247.357 3.971 20 30 BHEDRO C=C(C)CC[N@@H+](CCC)Cc1ccccc1O ZINC000775610848 585681306 /nfs/dbraw/zinc/68/13/06/585681306.db2.gz VKBWNKBDXNNMBQ-UHFFFAOYSA-N 1 0 233.355 3.570 20 30 BHEDRO C=C(C)CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000775614256 585681355 /nfs/dbraw/zinc/68/13/55/585681355.db2.gz ZZHPAXBQSJYPMB-UHFFFAOYSA-N 1 0 247.357 3.971 20 30 BHEDRO N#CCCC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000775617544 585681727 /nfs/dbraw/zinc/68/17/27/585681727.db2.gz NQTDOQBXFCUHCV-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775626099 585681654 /nfs/dbraw/zinc/68/16/54/585681654.db2.gz ABHGURNGZMRDQX-CYBMUJFWSA-N 1 0 240.350 3.622 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775626102 585681565 /nfs/dbraw/zinc/68/15/65/585681565.db2.gz ABHGURNGZMRDQX-ZDUSSCGKSA-N 1 0 240.350 3.622 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1cc2ccccc2[nH]1 ZINC000775630348 585682150 /nfs/dbraw/zinc/68/21/50/585682150.db2.gz YZDRFRMRMBWCEL-GFCCVEGCSA-N 1 0 241.338 3.512 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1cc2ccccc2[nH]1 ZINC000775630352 585682175 /nfs/dbraw/zinc/68/21/75/585682175.db2.gz YZDRFRMRMBWCEL-LBPRGKRZSA-N 1 0 241.338 3.512 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775632323 585681924 /nfs/dbraw/zinc/68/19/24/585681924.db2.gz LUHZQWJYCUPOGV-NEPJUHHUSA-N 1 0 228.339 3.783 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775632325 585682048 /nfs/dbraw/zinc/68/20/48/585682048.db2.gz LUHZQWJYCUPOGV-NWDGAFQWSA-N 1 0 228.339 3.783 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775632327 585682108 /nfs/dbraw/zinc/68/21/08/585682108.db2.gz LUHZQWJYCUPOGV-RYUDHWBXSA-N 1 0 228.339 3.783 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775632330 585682179 /nfs/dbraw/zinc/68/21/79/585682179.db2.gz LUHZQWJYCUPOGV-VXGBXAGGSA-N 1 0 228.339 3.783 20 30 BHEDRO C=CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)C(C)C ZINC000775656652 585682266 /nfs/dbraw/zinc/68/22/66/585682266.db2.gz LTRIFPFZZYERJJ-AWEZNQCLSA-N 1 0 247.382 3.695 20 30 BHEDRO C=CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000775656653 585682550 /nfs/dbraw/zinc/68/25/50/585682550.db2.gz LTRIFPFZZYERJJ-CQSZACIVSA-N 1 0 247.382 3.695 20 30 BHEDRO C=CCCCCC[N@@H+](C)Cc1cccc(C)c1O ZINC000775701563 585683229 /nfs/dbraw/zinc/68/32/29/585683229.db2.gz GTNCKJXAWWERNH-UHFFFAOYSA-N 1 0 247.382 3.879 20 30 BHEDRO C#CCCC[NH2+][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000775723759 585683490 /nfs/dbraw/zinc/68/34/90/585683490.db2.gz MLFRYFJJPRXLPU-HNNXBMFYSA-N 1 0 249.304 3.585 20 30 BHEDRO C#CCCC[NH2+][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000775723760 585683395 /nfs/dbraw/zinc/68/33/95/585683395.db2.gz MLFRYFJJPRXLPU-OAHLLOKOSA-N 1 0 249.304 3.585 20 30 BHEDRO CCCCCCCC[N@H+]1CC=C(COC)CC1 ZINC000775828032 585685895 /nfs/dbraw/zinc/68/58/95/585685895.db2.gz VRRCTQWBLXPDOV-UHFFFAOYSA-N 1 0 239.403 3.625 20 30 BHEDRO C#CCC[N@@H+](CC)C[C@H](CC)c1ccccc1 ZINC000775893572 585687168 /nfs/dbraw/zinc/68/71/68/585687168.db2.gz BJPOWVYPDICXSH-HNNXBMFYSA-N 1 0 229.367 3.525 20 30 BHEDRO C#CCC[N@@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000775893574 585687210 /nfs/dbraw/zinc/68/72/10/585687210.db2.gz BJPOWVYPDICXSH-OAHLLOKOSA-N 1 0 229.367 3.525 20 30 BHEDRO C#CCCC[N@@H+](CC)C[C@H](CC)c1ccccc1 ZINC000775895276 585687321 /nfs/dbraw/zinc/68/73/21/585687321.db2.gz KYPVBOIWXBDNAG-INIZCTEOSA-N 1 0 243.394 3.916 20 30 BHEDRO C#CCCC[N@@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000775895277 585687177 /nfs/dbraw/zinc/68/71/77/585687177.db2.gz KYPVBOIWXBDNAG-MRXNPFEDSA-N 1 0 243.394 3.916 20 30 BHEDRO CCCCCCCCC[N@H+](C)CC1(C#N)CC1 ZINC000775945215 585688351 /nfs/dbraw/zinc/68/83/51/585688351.db2.gz GXGYATFLKFFDPM-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC)C(C)(C)c1ccccc1 ZINC000776024272 585689559 /nfs/dbraw/zinc/68/95/59/585689559.db2.gz POSOBGGASKVUKK-INIZCTEOSA-N 1 0 243.394 3.746 20 30 BHEDRO C#CCCC[NH2+][C@H](CC)C(C)(C)c1ccccc1 ZINC000776024274 585689504 /nfs/dbraw/zinc/68/95/04/585689504.db2.gz POSOBGGASKVUKK-MRXNPFEDSA-N 1 0 243.394 3.746 20 30 BHEDRO CCCCC[C@@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC000776025295 585689417 /nfs/dbraw/zinc/68/94/17/585689417.db2.gz RPWRLNGQSSYJCD-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCCC[C@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC000776025298 585689506 /nfs/dbraw/zinc/68/95/06/585689506.db2.gz RPWRLNGQSSYJCD-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000776026183 585689439 /nfs/dbraw/zinc/68/94/39/585689439.db2.gz KAZGTCSPBMXDCP-BYCMXARLSA-N 1 0 247.769 3.650 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000776026184 585689620 /nfs/dbraw/zinc/68/96/20/585689620.db2.gz KAZGTCSPBMXDCP-KCPJHIHWSA-N 1 0 247.769 3.650 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000776026185 585689057 /nfs/dbraw/zinc/68/90/57/585689057.db2.gz KAZGTCSPBMXDCP-NILFDRSVSA-N 1 0 247.769 3.650 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000776026186 585689185 /nfs/dbraw/zinc/68/91/85/585689185.db2.gz KAZGTCSPBMXDCP-TUKIKUTGSA-N 1 0 247.769 3.650 20 30 BHEDRO CCCCCCC[NH2+][C@@H](CC)C1CCOCC1 ZINC000776029479 585689471 /nfs/dbraw/zinc/68/94/71/585689471.db2.gz ZKMFUNBYWQMFPL-HNNXBMFYSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[NH2+][C@H](CC)C1CCOCC1 ZINC000776029481 585689575 /nfs/dbraw/zinc/68/95/75/585689575.db2.gz ZKMFUNBYWQMFPL-OAHLLOKOSA-N 1 0 241.419 3.752 20 30 BHEDRO C#CCCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000776163938 585691493 /nfs/dbraw/zinc/69/14/93/585691493.db2.gz XANQGWQDGJPMST-KRWDZBQOSA-N 1 0 241.378 3.921 20 30 BHEDRO C#CCCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000776163940 585691487 /nfs/dbraw/zinc/69/14/87/585691487.db2.gz XANQGWQDGJPMST-QGZVFWFLSA-N 1 0 241.378 3.921 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](CC)CCC)c1ccccc1 ZINC000776169159 585691441 /nfs/dbraw/zinc/69/14/41/585691441.db2.gz DVOJHJVNPJCNSG-CVEARBPZSA-N 1 0 229.367 3.919 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](CC)CCC)c1ccccc1 ZINC000776169163 585691370 /nfs/dbraw/zinc/69/13/70/585691370.db2.gz DVOJHJVNPJCNSG-HOTGVXAUSA-N 1 0 229.367 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](CC)CCC)c1ccccc1 ZINC000776169166 585691506 /nfs/dbraw/zinc/69/15/06/585691506.db2.gz DVOJHJVNPJCNSG-HZPDHXFCSA-N 1 0 229.367 3.919 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](CC)CCC)c1ccccc1 ZINC000776169169 585691395 /nfs/dbraw/zinc/69/13/95/585691395.db2.gz DVOJHJVNPJCNSG-JKSUJKDBSA-N 1 0 229.367 3.919 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000776171425 585691302 /nfs/dbraw/zinc/69/13/02/585691302.db2.gz SKYFAXOCGXSLHY-INIZCTEOSA-N 1 0 245.341 3.596 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000776171430 585691294 /nfs/dbraw/zinc/69/12/94/585691294.db2.gz SKYFAXOCGXSLHY-MRXNPFEDSA-N 1 0 245.341 3.596 20 30 BHEDRO C#CCCCC[NH2+]C[C@H](CCC)c1ccccc1 ZINC000776248592 585693942 /nfs/dbraw/zinc/69/39/42/585693942.db2.gz LYSRTYMDBFNWRK-KRWDZBQOSA-N 1 0 243.394 3.963 20 30 BHEDRO C#CCCCC[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000776248594 585694071 /nfs/dbraw/zinc/69/40/71/585694071.db2.gz LYSRTYMDBFNWRK-QGZVFWFLSA-N 1 0 243.394 3.963 20 30 BHEDRO C#CCCCC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000776249958 585693963 /nfs/dbraw/zinc/69/39/63/585693963.db2.gz ZZKMGDYJZKEUCZ-INIZCTEOSA-N 1 0 243.394 3.648 20 30 BHEDRO C#CCCCC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000776249961 585693934 /nfs/dbraw/zinc/69/39/34/585693934.db2.gz ZZKMGDYJZKEUCZ-MRXNPFEDSA-N 1 0 243.394 3.648 20 30 BHEDRO C=CCOc1cccc(C[NH2+]CCC2CCC2)c1 ZINC000776251482 585693989 /nfs/dbraw/zinc/69/39/89/585693989.db2.gz HZFZQGPUFQQFTB-UHFFFAOYSA-N 1 0 245.366 3.531 20 30 BHEDRO C#CC[C@H]([NH2+]CC(CC)CC)c1ccccc1 ZINC000776251958 585693898 /nfs/dbraw/zinc/69/38/98/585693898.db2.gz FPUDVAKHXGUUNU-INIZCTEOSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CC[C@@H]([NH2+]CC(CC)CC)c1ccccc1 ZINC000776251959 585693818 /nfs/dbraw/zinc/69/38/18/585693818.db2.gz FPUDVAKHXGUUNU-MRXNPFEDSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CC[C@@H]([NH2+]C[C@H](C)CCC)c1ccccc1 ZINC000776253601 585693991 /nfs/dbraw/zinc/69/39/91/585693991.db2.gz YXAPXHDBXUMMHA-GDBMZVCRSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CC[C@@H]([NH2+]C[C@@H](C)CCC)c1ccccc1 ZINC000776253602 585693972 /nfs/dbraw/zinc/69/39/72/585693972.db2.gz YXAPXHDBXUMMHA-GOEBONIOSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CC[C@H]([NH2+]C[C@@H](C)CCC)c1ccccc1 ZINC000776253603 585693958 /nfs/dbraw/zinc/69/39/58/585693958.db2.gz YXAPXHDBXUMMHA-HOCLYGCPSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CC[C@H]([NH2+]C[C@H](C)CCC)c1ccccc1 ZINC000776253604 585693970 /nfs/dbraw/zinc/69/39/70/585693970.db2.gz YXAPXHDBXUMMHA-ZBFHGGJFSA-N 1 0 229.367 3.777 20 30 BHEDRO CC(C)CC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000776585849 585701964 /nfs/dbraw/zinc/70/19/64/585701964.db2.gz APIKXTFJLAHPFV-UHFFFAOYSA-N 1 0 236.403 3.684 20 30 BHEDRO CC(C)(C#N)CC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000776593230 585702208 /nfs/dbraw/zinc/70/22/08/585702208.db2.gz RTVIDQULJLMBAN-UHFFFAOYSA-N 1 0 248.345 3.590 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000776598744 585702498 /nfs/dbraw/zinc/70/24/98/585702498.db2.gz VJFDSWTUSAGPLU-HNNXBMFYSA-N 1 0 241.419 3.584 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@]1(C)CCCO ZINC000776598746 585702500 /nfs/dbraw/zinc/70/25/00/585702500.db2.gz VJFDSWTUSAGPLU-OAHLLOKOSA-N 1 0 241.419 3.584 20 30 BHEDRO CC[C@](C)([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000776604748 585702634 /nfs/dbraw/zinc/70/26/34/585702634.db2.gz GJSWBJZOLUAVRE-INIZCTEOSA-N 1 0 244.382 3.841 20 30 BHEDRO CC[C@@](C)([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000776604761 585702727 /nfs/dbraw/zinc/70/27/27/585702727.db2.gz GJSWBJZOLUAVRE-MRXNPFEDSA-N 1 0 244.382 3.841 20 30 BHEDRO CCCCCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000776726352 585703577 /nfs/dbraw/zinc/70/35/77/585703577.db2.gz WOQJQOMQVSYEEP-GFCCVEGCSA-N 1 0 248.345 3.928 20 30 BHEDRO CCCCCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000776726353 585703644 /nfs/dbraw/zinc/70/36/44/585703644.db2.gz WOQJQOMQVSYEEP-LBPRGKRZSA-N 1 0 248.345 3.928 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000776744350 585703840 /nfs/dbraw/zinc/70/38/40/585703840.db2.gz SEISATXMVWTCPI-GFCCVEGCSA-N 1 0 249.402 3.714 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000776744351 585703860 /nfs/dbraw/zinc/70/38/60/585703860.db2.gz SEISATXMVWTCPI-LBPRGKRZSA-N 1 0 249.402 3.714 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000776744411 585703703 /nfs/dbraw/zinc/70/37/03/585703703.db2.gz SSMVHSABSVNMHE-AWEZNQCLSA-N 1 0 249.398 3.800 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000776744413 585703825 /nfs/dbraw/zinc/70/38/25/585703825.db2.gz SSMVHSABSVNMHE-CQSZACIVSA-N 1 0 249.398 3.800 20 30 BHEDRO C[C@@H]([NH2+]CCC1CCC1)c1ccc(C#N)c(F)c1 ZINC000776746103 585703991 /nfs/dbraw/zinc/70/39/91/585703991.db2.gz KXBMTQLCUWSTJZ-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H]([NH2+]CCC1CCC1)c1ccc(C#N)c(F)c1 ZINC000776746104 585703993 /nfs/dbraw/zinc/70/39/93/585703993.db2.gz KXBMTQLCUWSTJZ-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000776747125 585703944 /nfs/dbraw/zinc/70/39/44/585703944.db2.gz NLHMPKGICRAPBF-AWEZNQCLSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)CC1CCOCC1 ZINC000776747126 585703699 /nfs/dbraw/zinc/70/36/99/585703699.db2.gz NLHMPKGICRAPBF-CQSZACIVSA-N 1 0 241.419 3.752 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(C#N)c(F)c1 ZINC000776882731 585706423 /nfs/dbraw/zinc/70/64/23/585706423.db2.gz RHMIVTNXXZGACI-GHMZBOCLSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(C#N)c(F)c1 ZINC000776882732 585706388 /nfs/dbraw/zinc/70/63/88/585706388.db2.gz RHMIVTNXXZGACI-MNOVXSKESA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(C#N)c(F)c1 ZINC000776882733 585706534 /nfs/dbraw/zinc/70/65/34/585706534.db2.gz RHMIVTNXXZGACI-QWRGUYRKSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1(C)CC1 ZINC000776882734 585706501 /nfs/dbraw/zinc/70/65/01/585706501.db2.gz RHMIVTNXXZGACI-WDEREUQCSA-N 1 0 246.329 3.537 20 30 BHEDRO C=CC[N@H+](Cc1cc(F)cc(Cl)c1)C(C)C ZINC000777219968 585709621 /nfs/dbraw/zinc/70/96/21/585709621.db2.gz CHOQVQFFLDDLRG-UHFFFAOYSA-N 1 0 241.737 3.876 20 30 BHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCCCCCC1 ZINC000777401120 585711400 /nfs/dbraw/zinc/71/14/00/585711400.db2.gz KRTKEOWPIJWEKL-AWEZNQCLSA-N 1 0 242.366 3.885 20 30 BHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCCCCCC1 ZINC000777401122 585711299 /nfs/dbraw/zinc/71/12/99/585711299.db2.gz KRTKEOWPIJWEKL-CQSZACIVSA-N 1 0 242.366 3.885 20 30 BHEDRO CC(=[NH+]OC1CCCCC1)c1ccc(N)cc1C ZINC000777453827 585712457 /nfs/dbraw/zinc/71/24/57/585712457.db2.gz SIAHHUKHJRAGIQ-UHFFFAOYSA-N 1 0 246.354 3.651 20 30 BHEDRO Cc1cc(N)cc(C)c1C=[NH+]OC1CCCCC1 ZINC000777459183 585712971 /nfs/dbraw/zinc/71/29/71/585712971.db2.gz NSBYDXVODRRMOK-UHFFFAOYSA-N 1 0 246.354 3.569 20 30 BHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(CF)cc1 ZINC000777543701 585714949 /nfs/dbraw/zinc/71/49/49/585714949.db2.gz NYNZQBGKPFOWSP-UHFFFAOYSA-N 1 0 221.319 3.554 20 30 BHEDRO C=CC[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000777548473 585714487 /nfs/dbraw/zinc/71/44/87/585714487.db2.gz SUHBDWGDAVMHSO-UHFFFAOYSA-N 1 0 247.382 3.616 20 30 BHEDRO C=CC[N@H+](Cc1ccc(CF)cc1)C(C)C ZINC000777559207 585715033 /nfs/dbraw/zinc/71/50/33/585715033.db2.gz VJYUZGFHIPMQGK-UHFFFAOYSA-N 1 0 221.319 3.553 20 30 BHEDRO C=CC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777580441 585716125 /nfs/dbraw/zinc/71/61/25/585716125.db2.gz BHFPBUXZEHCHFS-UHFFFAOYSA-N 1 0 233.330 3.554 20 30 BHEDRO CC(C)C[N@H+](CCC#N)Cc1ccc(CF)cc1 ZINC000777588937 585716215 /nfs/dbraw/zinc/71/62/15/585716215.db2.gz MKLXBMXYEQBSOB-UHFFFAOYSA-N 1 0 248.345 3.528 20 30 BHEDRO C=CCCC[N@@H+](C)Cc1ccc(CF)cc1 ZINC000777589711 585716638 /nfs/dbraw/zinc/71/66/38/585716638.db2.gz VVCGOERWECRJLN-UHFFFAOYSA-N 1 0 221.319 3.554 20 30 BHEDRO C#CC[N@@H+](Cc1ccc(CF)cc1)C1CCCC1 ZINC000777601290 585716848 /nfs/dbraw/zinc/71/68/48/585716848.db2.gz XFWVYVSRCBJNER-UHFFFAOYSA-N 1 0 245.341 3.534 20 30 BHEDRO C=CCC[C@H](Nc1ccc(N(C)C)cc1)C1CC1 ZINC000777602323 585716921 /nfs/dbraw/zinc/71/69/21/585716921.db2.gz KVKIRRFDVLDEJA-INIZCTEOSA-N 1 0 244.382 3.909 20 30 BHEDRO C=CCC[C@@H](Nc1ccc(N(C)C)cc1)C1CC1 ZINC000777602324 585716660 /nfs/dbraw/zinc/71/66/60/585716660.db2.gz KVKIRRFDVLDEJA-MRXNPFEDSA-N 1 0 244.382 3.909 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000777961053 585724489 /nfs/dbraw/zinc/72/44/89/585724489.db2.gz UICSTJPZAMETJE-UHFFFAOYSA-N 1 0 247.382 3.832 20 30 BHEDRO CCCCCCCC[NH2+]Cc1ccc(F)nc1 ZINC000778150641 585726336 /nfs/dbraw/zinc/72/63/36/585726336.db2.gz AGQTZULEIQYWMO-UHFFFAOYSA-N 1 0 238.350 3.671 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000778226055 585728442 /nfs/dbraw/zinc/72/84/42/585728442.db2.gz OAHWFIAKYLNMMZ-AWEZNQCLSA-N 1 0 249.402 3.907 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000778226058 585728285 /nfs/dbraw/zinc/72/82/85/585728285.db2.gz OAHWFIAKYLNMMZ-CQSZACIVSA-N 1 0 249.402 3.907 20 30 BHEDRO C#CCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000778237740 585728808 /nfs/dbraw/zinc/72/88/08/585728808.db2.gz RQUCADOPRPXKES-INIZCTEOSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000778237751 585728989 /nfs/dbraw/zinc/72/89/89/585728989.db2.gz RQUCADOPRPXKES-MRXNPFEDSA-N 1 0 227.351 3.531 20 30 BHEDRO C=CC[N@@H+](CCCc1cccc(F)c1)C(C)C ZINC000778938048 585742379 /nfs/dbraw/zinc/74/23/79/585742379.db2.gz CAKBKLVYLOTREC-UHFFFAOYSA-N 1 0 235.346 3.655 20 30 BHEDRO C=CC[N@H+](Cc1cc(F)ccc1C)C(C)C ZINC000778996889 585744045 /nfs/dbraw/zinc/74/40/45/585744045.db2.gz VNKAAPGPVKOZGL-UHFFFAOYSA-N 1 0 221.319 3.531 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000779025739 585744266 /nfs/dbraw/zinc/74/42/66/585744266.db2.gz DKTDGCZJTPQMQF-KRWDZBQOSA-N 1 0 241.378 3.839 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000779025758 585744419 /nfs/dbraw/zinc/74/44/19/585744419.db2.gz DKTDGCZJTPQMQF-QGZVFWFLSA-N 1 0 241.378 3.839 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000779088544 585744882 /nfs/dbraw/zinc/74/48/82/585744882.db2.gz RZYJOPVXHLUUKX-GFCCVEGCSA-N 1 0 237.391 3.729 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000779088566 585744940 /nfs/dbraw/zinc/74/49/40/585744940.db2.gz RZYJOPVXHLUUKX-LBPRGKRZSA-N 1 0 237.391 3.729 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000779106536 585745104 /nfs/dbraw/zinc/74/51/04/585745104.db2.gz OZVWUSHFNZSRLF-CYBMUJFWSA-N 1 0 233.355 3.617 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccccc1O ZINC000779106537 585745143 /nfs/dbraw/zinc/74/51/43/585745143.db2.gz OZVWUSHFNZSRLF-ZDUSSCGKSA-N 1 0 233.355 3.617 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000779127730 585745343 /nfs/dbraw/zinc/74/53/43/585745343.db2.gz JXZAYTOHSAGNAM-PBHICJAKSA-N 1 0 241.378 3.621 20 30 BHEDRO C#CCCCC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000779127731 585745354 /nfs/dbraw/zinc/74/53/54/585745354.db2.gz JXZAYTOHSAGNAM-RHSMWYFYSA-N 1 0 241.378 3.621 20 30 BHEDRO C#CCCCC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000779127732 585745448 /nfs/dbraw/zinc/74/54/48/585745448.db2.gz JXZAYTOHSAGNAM-WMLDXEAASA-N 1 0 241.378 3.621 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000779127733 585745536 /nfs/dbraw/zinc/74/55/36/585745536.db2.gz JXZAYTOHSAGNAM-YOEHRIQHSA-N 1 0 241.378 3.621 20 30 BHEDRO CCCCCCCC[N@H+](C)CCc1ccncc1 ZINC000779599818 585757120 /nfs/dbraw/zinc/75/71/20/585757120.db2.gz ZTFWECDUDQAIEV-UHFFFAOYSA-N 1 0 248.414 3.916 20 30 BHEDRO CCCCCCC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000779968058 585770890 /nfs/dbraw/zinc/77/08/90/585770890.db2.gz VSLFFBXZFVYDNO-CABCVRRESA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000779968059 585770911 /nfs/dbraw/zinc/77/09/11/585770911.db2.gz VSLFFBXZFVYDNO-GJZGRUSLSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000779968060 585770789 /nfs/dbraw/zinc/77/07/89/585770789.db2.gz VSLFFBXZFVYDNO-HUUCEWRRSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000779968061 585770955 /nfs/dbraw/zinc/77/09/55/585770955.db2.gz VSLFFBXZFVYDNO-LSDHHAIUSA-N 1 0 241.419 3.752 20 30 BHEDRO C=CC[N@@H+](CCCc1ccccc1OC)C(C)C ZINC000780284353 585776954 /nfs/dbraw/zinc/77/69/54/585776954.db2.gz CNWJMHSTEOPLCF-UHFFFAOYSA-N 1 0 247.382 3.524 20 30 BHEDRO C=CC1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000780287537 585776953 /nfs/dbraw/zinc/77/69/53/585776953.db2.gz RZLJMMRAZRHCEQ-INIZCTEOSA-N 1 0 241.378 3.614 20 30 BHEDRO C=CC1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000780287543 585776802 /nfs/dbraw/zinc/77/68/02/585776802.db2.gz RZLJMMRAZRHCEQ-MRXNPFEDSA-N 1 0 241.378 3.614 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCc2ccccc21 ZINC000780287558 585776910 /nfs/dbraw/zinc/77/69/10/585776910.db2.gz MSGFWCATEWWGGG-HNNXBMFYSA-N 1 0 229.367 3.614 20 30 BHEDRO C=C(C)C[N@H+](CC)C[C@H]1CCc2ccccc21 ZINC000780287560 585777063 /nfs/dbraw/zinc/77/70/63/585777063.db2.gz MSGFWCATEWWGGG-OAHLLOKOSA-N 1 0 229.367 3.614 20 30 BHEDRO C=CC[N@H+](C[C@@H]1CCc2ccccc21)C(C)C ZINC000780290180 585776882 /nfs/dbraw/zinc/77/68/82/585776882.db2.gz WTAHRAYUGLFGKY-HNNXBMFYSA-N 1 0 229.367 3.613 20 30 BHEDRO C=CC[N@H+](C[C@H]1CCc2ccccc21)C(C)C ZINC000780290183 585777048 /nfs/dbraw/zinc/77/70/48/585777048.db2.gz WTAHRAYUGLFGKY-OAHLLOKOSA-N 1 0 229.367 3.613 20 30 BHEDRO C#CCCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000780400207 644730376 /nfs/dbraw/zinc/73/03/76/644730376.db2.gz SCYDZKHDFFORGV-GZKZCVOOSA-N 1 0 239.362 3.578 20 30 BHEDRO C#CCCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000780400208 644730084 /nfs/dbraw/zinc/73/00/84/644730084.db2.gz SCYDZKHDFFORGV-MUSGIIIZSA-N 1 0 239.362 3.578 20 30 BHEDRO C#CCCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000780400209 585778660 /nfs/dbraw/zinc/77/86/60/585778660.db2.gz SCYDZKHDFFORGV-QOHRORDFSA-N 1 0 239.362 3.578 20 30 BHEDRO C#CCCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000780400210 585778687 /nfs/dbraw/zinc/77/86/87/585778687.db2.gz SCYDZKHDFFORGV-UJGDBWEASA-N 1 0 239.362 3.578 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780530210 585780025 /nfs/dbraw/zinc/78/00/25/585780025.db2.gz SEIDBXCOXIJRIT-CABCVRRESA-N 1 0 249.785 3.740 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780530223 585779967 /nfs/dbraw/zinc/77/99/67/585779967.db2.gz SEIDBXCOXIJRIT-GJZGRUSLSA-N 1 0 249.785 3.740 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780530225 585780045 /nfs/dbraw/zinc/78/00/45/585780045.db2.gz SEIDBXCOXIJRIT-HUUCEWRRSA-N 1 0 249.785 3.740 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780530226 585780007 /nfs/dbraw/zinc/78/00/07/585780007.db2.gz SEIDBXCOXIJRIT-LSDHHAIUSA-N 1 0 249.785 3.740 20 30 BHEDRO C=C(Cl)C[N@@H+](CCC)Cc1ccc(C)cc1 ZINC000780942764 585787034 /nfs/dbraw/zinc/78/70/34/585787034.db2.gz DCKFYUXJAFXNGU-UHFFFAOYSA-N 1 0 237.774 3.960 20 30 BHEDRO C=CC[N@@H+](Cc1ccccc1SC)C(C)C ZINC000781326918 585794874 /nfs/dbraw/zinc/79/48/74/585794874.db2.gz SYWACRONPJFQSX-UHFFFAOYSA-N 1 0 235.396 3.805 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781355109 585795096 /nfs/dbraw/zinc/79/50/96/585795096.db2.gz XFYGLSLGGOFCHN-GFCCVEGCSA-N 1 0 249.345 3.660 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781355110 585795155 /nfs/dbraw/zinc/79/51/55/585795155.db2.gz XFYGLSLGGOFCHN-LBPRGKRZSA-N 1 0 249.345 3.660 20 30 BHEDRO CCCCCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000781421737 585796035 /nfs/dbraw/zinc/79/60/35/585796035.db2.gz STYCECRCNBMWQF-GFCCVEGCSA-N 1 0 248.345 3.928 20 30 BHEDRO CCCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000781421738 585796007 /nfs/dbraw/zinc/79/60/07/585796007.db2.gz STYCECRCNBMWQF-LBPRGKRZSA-N 1 0 248.345 3.928 20 30 BHEDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(C#N)cc1F ZINC000781422964 585795883 /nfs/dbraw/zinc/79/58/83/585795883.db2.gz RUQRIDJVFKNZBU-GHMZBOCLSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(C#N)cc1F ZINC000781422973 585796104 /nfs/dbraw/zinc/79/61/04/585796104.db2.gz RUQRIDJVFKNZBU-MNOVXSKESA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(C#N)cc1F ZINC000781422974 585796001 /nfs/dbraw/zinc/79/60/01/585796001.db2.gz RUQRIDJVFKNZBU-QWRGUYRKSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C1(C)CC1 ZINC000781422975 585796072 /nfs/dbraw/zinc/79/60/72/585796072.db2.gz RUQRIDJVFKNZBU-WDEREUQCSA-N 1 0 246.329 3.537 20 30 BHEDRO C[C@@H]([NH2+]CCC1CCC1)c1ccc(C#N)cc1F ZINC000781424336 585795932 /nfs/dbraw/zinc/79/59/32/585795932.db2.gz XQJCSQRKUNEYQH-LLVKDONJSA-N 1 0 246.329 3.538 20 30 BHEDRO C[C@H]([NH2+]CCC1CCC1)c1ccc(C#N)cc1F ZINC000781424338 585795929 /nfs/dbraw/zinc/79/59/29/585795929.db2.gz XQJCSQRKUNEYQH-NSHDSACASA-N 1 0 246.329 3.538 20 30 BHEDRO C=CC[N@H+](Cc1ccc(Cl)cc1F)C(C)C ZINC000781884964 585804894 /nfs/dbraw/zinc/80/48/94/585804894.db2.gz NWCZVNZJUDQBJX-UHFFFAOYSA-N 1 0 241.737 3.876 20 30 BHEDRO CCCCCCC[NH2+][C@@H](CO)c1ccccc1C ZINC000782081239 644738954 /nfs/dbraw/zinc/73/89/54/644738954.db2.gz JGGSOQVSVSXVBS-INIZCTEOSA-N 1 0 249.398 3.588 20 30 BHEDRO CCCCCCC[NH2+][C@H](CO)c1ccccc1C ZINC000782081252 644739449 /nfs/dbraw/zinc/73/94/49/644739449.db2.gz JGGSOQVSVSXVBS-MRXNPFEDSA-N 1 0 249.398 3.588 20 30 BHEDRO C=C1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782182352 585810245 /nfs/dbraw/zinc/81/02/45/585810245.db2.gz BSGOPWYJVVBEHE-HNNXBMFYSA-N 1 0 247.769 3.979 20 30 BHEDRO C=C1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782182353 585810333 /nfs/dbraw/zinc/81/03/33/585810333.db2.gz BSGOPWYJVVBEHE-OAHLLOKOSA-N 1 0 247.769 3.979 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000782192007 585811799 /nfs/dbraw/zinc/81/17/99/585811799.db2.gz RWBWAVQFKYAMTM-AWEZNQCLSA-N 1 0 235.758 3.835 20 30 BHEDRO C=C(C)C[N@@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000782192009 585811766 /nfs/dbraw/zinc/81/17/66/585811766.db2.gz RWBWAVQFKYAMTM-CQSZACIVSA-N 1 0 235.758 3.835 20 30 BHEDRO CCc1ccccc1C[N@H+](CCC#N)CC(C)C ZINC000782500591 585819299 /nfs/dbraw/zinc/81/92/99/585819299.db2.gz UUVBYYSYSJXMQV-UHFFFAOYSA-N 1 0 244.382 3.621 20 30 BHEDRO C=CC[N@@H+](CCCc1ccsc1)C(C)C ZINC000782907092 585825980 /nfs/dbraw/zinc/82/59/80/585825980.db2.gz IXLIEIJIIBSUNO-UHFFFAOYSA-N 1 0 223.385 3.577 20 30 BHEDRO C#CC[N@H+](CCCc1ccsc1)C1CCCC1 ZINC000782945416 585826346 /nfs/dbraw/zinc/82/63/46/585826346.db2.gz QLQCMMPWPKKFGC-UHFFFAOYSA-N 1 0 247.407 3.559 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@H](OC)CC1 ZINC000783018846 585827107 /nfs/dbraw/zinc/82/71/07/585827107.db2.gz SICPMWDXHVGMCJ-HNNXBMFYSA-N 1 0 241.419 3.848 20 30 BHEDRO CCCCCCCC[N@@H+]1CCC[C@@H](OC)CC1 ZINC000783018848 585827098 /nfs/dbraw/zinc/82/70/98/585827098.db2.gz SICPMWDXHVGMCJ-OAHLLOKOSA-N 1 0 241.419 3.848 20 30 BHEDRO C#CC[NH2+][C@@H](CC)c1cccc2ccccc21 ZINC000783216930 585830919 /nfs/dbraw/zinc/83/09/19/585830919.db2.gz WPMNSKXIYPBKAV-INIZCTEOSA-N 1 0 223.319 3.514 20 30 BHEDRO C#CC[NH2+][C@H](CC)c1cccc2ccccc21 ZINC000783216931 585830963 /nfs/dbraw/zinc/83/09/63/585830963.db2.gz WPMNSKXIYPBKAV-MRXNPFEDSA-N 1 0 223.319 3.514 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000783251299 585832436 /nfs/dbraw/zinc/83/24/36/585832436.db2.gz JRVIUFWICHVPJG-CABCVRRESA-N 1 0 249.785 3.839 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000783251301 585832356 /nfs/dbraw/zinc/83/23/56/585832356.db2.gz JRVIUFWICHVPJG-GJZGRUSLSA-N 1 0 249.785 3.839 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000783251302 585832409 /nfs/dbraw/zinc/83/24/09/585832409.db2.gz JRVIUFWICHVPJG-HUUCEWRRSA-N 1 0 249.785 3.839 20 30 BHEDRO C=C(Cl)C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000783251303 585832291 /nfs/dbraw/zinc/83/22/91/585832291.db2.gz JRVIUFWICHVPJG-LSDHHAIUSA-N 1 0 249.785 3.839 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000783265037 585832696 /nfs/dbraw/zinc/83/26/96/585832696.db2.gz BEINTRLMEJBIQR-GXTWGEPZSA-N 1 0 247.386 3.571 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000783265038 585832729 /nfs/dbraw/zinc/83/27/29/585832729.db2.gz BEINTRLMEJBIQR-JSGCOSHPSA-N 1 0 247.386 3.571 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000783265039 585832622 /nfs/dbraw/zinc/83/26/22/585832622.db2.gz BEINTRLMEJBIQR-OCCSQVGLSA-N 1 0 247.386 3.571 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000783265040 585832711 /nfs/dbraw/zinc/83/27/11/585832711.db2.gz BEINTRLMEJBIQR-TZMCWYRMSA-N 1 0 247.386 3.571 20 30 BHEDRO C=CC[N@H+](Cc1cccc2cnccc21)C(C)C ZINC000783415139 585834684 /nfs/dbraw/zinc/83/46/84/585834684.db2.gz OSHNQEXCGPSUAI-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO C=CC[N@@H+](C(C)C)[C@H](C)Cc1ccsc1 ZINC000783415159 585834700 /nfs/dbraw/zinc/83/47/00/585834700.db2.gz PFNMFWBRUIYXOP-GFCCVEGCSA-N 1 0 223.385 3.576 20 30 BHEDRO C=CC[N@@H+](C(C)C)[C@@H](C)Cc1ccsc1 ZINC000783415163 585834746 /nfs/dbraw/zinc/83/47/46/585834746.db2.gz PFNMFWBRUIYXOP-LBPRGKRZSA-N 1 0 223.385 3.576 20 30 BHEDRO C#CC[N@@H+]([C@H](C)Cc1ccsc1)C1CCCC1 ZINC000783490174 585835645 /nfs/dbraw/zinc/83/56/45/585835645.db2.gz HONZHKJLJSJGFX-CYBMUJFWSA-N 1 0 247.407 3.557 20 30 BHEDRO C#CC[N@@H+]([C@@H](C)Cc1ccsc1)C1CCCC1 ZINC000783490177 585835520 /nfs/dbraw/zinc/83/55/20/585835520.db2.gz HONZHKJLJSJGFX-ZDUSSCGKSA-N 1 0 247.407 3.557 20 30 BHEDRO C=CC[N@H+](C[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000783529663 585836030 /nfs/dbraw/zinc/83/60/30/585836030.db2.gz NQPJGGJIDRSLDI-CYBMUJFWSA-N 1 0 235.346 3.826 20 30 BHEDRO C=CC[N@H+](C[C@H](C)c1ccc(F)cc1)C(C)C ZINC000783529665 585835995 /nfs/dbraw/zinc/83/59/95/585835995.db2.gz NQPJGGJIDRSLDI-ZDUSSCGKSA-N 1 0 235.346 3.826 20 30 BHEDRO C=CC[C@H]([NH2+]CCC(C)(C)C)c1ccncc1 ZINC000783639073 585839221 /nfs/dbraw/zinc/83/92/21/585839221.db2.gz ZMFLDIUDWAHUTG-AWEZNQCLSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC[C@@H]([NH2+]CCC(C)(C)C)c1ccncc1 ZINC000783639075 585839133 /nfs/dbraw/zinc/83/91/33/585839133.db2.gz ZMFLDIUDWAHUTG-CQSZACIVSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC[C@H]([NH2+]CCCC(C)C)c1ccncc1 ZINC000783639081 585839198 /nfs/dbraw/zinc/83/91/98/585839198.db2.gz ZRLHYBTZMUCFTG-HNNXBMFYSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC[C@@H]([NH2+]CCCC(C)C)c1ccncc1 ZINC000783639083 585839054 /nfs/dbraw/zinc/83/90/54/585839054.db2.gz ZRLHYBTZMUCFTG-OAHLLOKOSA-N 1 0 232.371 3.725 20 30 BHEDRO C#CC[C@H]([NH2+]CCCC(C)C)c1ccccc1 ZINC000783650191 585839302 /nfs/dbraw/zinc/83/93/02/585839302.db2.gz MPBOONOIWKQPSP-INIZCTEOSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CC[C@@H]([NH2+]CCCC(C)C)c1ccccc1 ZINC000783650192 585839404 /nfs/dbraw/zinc/83/94/04/585839404.db2.gz MPBOONOIWKQPSP-MRXNPFEDSA-N 1 0 229.367 3.777 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000783660596 585839710 /nfs/dbraw/zinc/83/97/10/585839710.db2.gz MZOJBDCWYCGZBV-BHYGNILZSA-N 1 0 241.378 3.572 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000783660625 585839575 /nfs/dbraw/zinc/83/95/75/585839575.db2.gz MZOJBDCWYCGZBV-DJIMGWMZSA-N 1 0 241.378 3.572 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000783660626 585839595 /nfs/dbraw/zinc/83/95/95/585839595.db2.gz MZOJBDCWYCGZBV-HYVNUMGLSA-N 1 0 241.378 3.572 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000783660627 585839726 /nfs/dbraw/zinc/83/97/26/585839726.db2.gz MZOJBDCWYCGZBV-USXIJHARSA-N 1 0 241.378 3.572 20 30 BHEDRO C[C@@H]1CCCC[C@@H]1C=[NH+]n1cnc2ccccc21 ZINC000783815866 585843926 /nfs/dbraw/zinc/84/39/26/585843926.db2.gz JTZMTGJGGADSDH-CHWSQXEVSA-N 1 0 241.338 3.697 20 30 BHEDRO C[C@@H]1CCCC[C@H]1C=[NH+]n1cnc2ccccc21 ZINC000783815867 585843937 /nfs/dbraw/zinc/84/39/37/585843937.db2.gz JTZMTGJGGADSDH-OLZOCXBDSA-N 1 0 241.338 3.697 20 30 BHEDRO C[C@H]1CCCC[C@@H]1C=[NH+]n1cnc2ccccc21 ZINC000783815868 585843914 /nfs/dbraw/zinc/84/39/14/585843914.db2.gz JTZMTGJGGADSDH-QWHCGFSZSA-N 1 0 241.338 3.697 20 30 BHEDRO C[C@H]1CCCC[C@H]1C=[NH+]n1cnc2ccccc21 ZINC000783815869 582965119 /nfs/dbraw/zinc/96/51/19/582965119.db2.gz JTZMTGJGGADSDH-STQMWFEESA-N 1 0 241.338 3.697 20 30 BHEDRO C=CC[N@H+](Cc1ccc(C#N)cc1Cl)C(C)C ZINC000784337785 585856201 /nfs/dbraw/zinc/85/62/01/585856201.db2.gz SAJBFHJXDBNMBK-UHFFFAOYSA-N 1 0 248.757 3.608 20 30 BHEDRO CCCCCCCC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000784392819 585858161 /nfs/dbraw/zinc/85/81/61/585858161.db2.gz GNBQLQPKPTUVDE-SHTZXODSSA-N 1 0 241.419 3.582 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000784455767 585860661 /nfs/dbraw/zinc/86/06/61/585860661.db2.gz WDCNVXMYKBVNGB-AWEZNQCLSA-N 1 0 222.376 3.582 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000784455795 585860614 /nfs/dbraw/zinc/86/06/14/585860614.db2.gz WDCNVXMYKBVNGB-CQSZACIVSA-N 1 0 222.376 3.582 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000784496870 585861305 /nfs/dbraw/zinc/86/13/05/585861305.db2.gz BYSPCIUZHNOWLN-INIZCTEOSA-N 1 0 241.378 3.506 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000784496877 585861643 /nfs/dbraw/zinc/86/16/43/585861643.db2.gz BYSPCIUZHNOWLN-MRXNPFEDSA-N 1 0 241.378 3.506 20 30 BHEDRO CCCCCCC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000784588805 585863935 /nfs/dbraw/zinc/86/39/35/585863935.db2.gz PRVKXKXWOMOZHK-CABCVRRESA-N 1 0 239.403 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000784588806 585864023 /nfs/dbraw/zinc/86/40/23/585864023.db2.gz PRVKXKXWOMOZHK-GJZGRUSLSA-N 1 0 239.403 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000784588807 585863535 /nfs/dbraw/zinc/86/35/35/585863535.db2.gz PRVKXKXWOMOZHK-HUUCEWRRSA-N 1 0 239.403 3.504 20 30 BHEDRO CCCCCCC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000784588808 585863494 /nfs/dbraw/zinc/86/34/94/585863494.db2.gz PRVKXKXWOMOZHK-LSDHHAIUSA-N 1 0 239.403 3.504 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccc(F)nc1C ZINC000785412172 585873141 /nfs/dbraw/zinc/87/31/41/585873141.db2.gz CDRSCSBGTGMPPS-UHFFFAOYSA-N 1 0 238.350 3.589 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccncc1 ZINC000785471727 585874287 /nfs/dbraw/zinc/87/42/87/585874287.db2.gz XWKZYUZTUUOJRX-CFVMTHIKSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccncc1 ZINC000785471728 585874332 /nfs/dbraw/zinc/87/43/32/585874332.db2.gz XWKZYUZTUUOJRX-QEJZJMRPSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)c1ccncc1 ZINC000785471948 585874146 /nfs/dbraw/zinc/87/41/46/585874146.db2.gz XWKZYUZTUUOJRX-SNPRPXQTSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)c1ccncc1 ZINC000785471949 585874271 /nfs/dbraw/zinc/87/42/71/585874271.db2.gz XWKZYUZTUUOJRX-YUELXQCFSA-N 1 0 244.382 3.723 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000785501580 585874852 /nfs/dbraw/zinc/87/48/52/585874852.db2.gz BCQCIMZFPDJXQJ-BMFZPTHFSA-N 1 0 241.378 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000785501581 584010529 /nfs/dbraw/zinc/01/05/29/584010529.db2.gz BCQCIMZFPDJXQJ-BPUTZDHNSA-N 1 0 241.378 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000785501586 584010552 /nfs/dbraw/zinc/01/05/52/584010552.db2.gz BCQCIMZFPDJXQJ-IMJJTQAJSA-N 1 0 241.378 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000785501599 584010564 /nfs/dbraw/zinc/01/05/64/584010564.db2.gz BCQCIMZFPDJXQJ-KBMXLJTQSA-N 1 0 241.378 3.775 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000785631122 585876732 /nfs/dbraw/zinc/87/67/32/585876732.db2.gz WQROKZOTUWKPEV-HNNXBMFYSA-N 1 0 248.370 3.866 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000785631123 585876804 /nfs/dbraw/zinc/87/68/04/585876804.db2.gz WQROKZOTUWKPEV-OAHLLOKOSA-N 1 0 248.370 3.866 20 30 BHEDRO C=CCCCCC[N@@H+](CC)CCc1ccccn1 ZINC000785730972 585879047 /nfs/dbraw/zinc/87/90/47/585879047.db2.gz UUXFVJGBOOYKPO-UHFFFAOYSA-N 1 0 246.398 3.692 20 30 BHEDRO C=CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000785766045 585880074 /nfs/dbraw/zinc/88/00/74/585880074.db2.gz JTPBZTVLGZPFLO-LLVKDONJSA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCCCCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000785766048 585880222 /nfs/dbraw/zinc/88/02/22/585880222.db2.gz JTPBZTVLGZPFLO-NSHDSACASA-N 1 0 235.293 3.617 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)c1ccccc1O ZINC000785773089 585880505 /nfs/dbraw/zinc/88/05/05/585880505.db2.gz CUNLYIXGIPRPAJ-CYBMUJFWSA-N 1 0 233.355 3.789 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000785773091 585880456 /nfs/dbraw/zinc/88/04/56/585880456.db2.gz CUNLYIXGIPRPAJ-ZDUSSCGKSA-N 1 0 233.355 3.789 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(CF)cc1 ZINC000785998837 585885130 /nfs/dbraw/zinc/88/51/30/585885130.db2.gz OJDTXYPXOYJXNV-HNNXBMFYSA-N 1 0 233.330 3.697 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(CF)cc1 ZINC000785998839 585884823 /nfs/dbraw/zinc/88/48/23/585884823.db2.gz OJDTXYPXOYJXNV-OAHLLOKOSA-N 1 0 233.330 3.697 20 30 BHEDRO C=CCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000786102471 585887541 /nfs/dbraw/zinc/88/75/41/585887541.db2.gz QDKOXHZCASTGQV-UHFFFAOYSA-N 1 0 247.382 3.832 20 30 BHEDRO C=CCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000786102488 585887393 /nfs/dbraw/zinc/88/73/93/585887393.db2.gz ZQCULDYYSAZZGJ-UHFFFAOYSA-N 1 0 241.334 3.553 20 30 BHEDRO C#CCCC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000786124919 585887842 /nfs/dbraw/zinc/88/78/42/585887842.db2.gz KBAXNBDQIKTILL-DOTOQJQBSA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCCC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000786124931 585887824 /nfs/dbraw/zinc/88/78/24/585887824.db2.gz KBAXNBDQIKTILL-NVXWUHKLSA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCCC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000786124933 585887810 /nfs/dbraw/zinc/88/78/10/585887810.db2.gz KBAXNBDQIKTILL-RDJZCZTQSA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCCC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000786124936 585887799 /nfs/dbraw/zinc/88/77/99/585887799.db2.gz KBAXNBDQIKTILL-WBVHZDCISA-N 1 0 241.378 3.586 20 30 BHEDRO C#CCCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000786147392 644773639 /nfs/dbraw/zinc/77/36/39/644773639.db2.gz KWGNHRANXPUNPD-UHFFFAOYSA-N 1 0 233.399 3.883 20 30 BHEDRO C=CCCCCC[NH2+]C(C)(C)C1CCOCC1 ZINC000786152925 585887903 /nfs/dbraw/zinc/88/79/03/585887903.db2.gz RIVUGWFWRJGYKP-UHFFFAOYSA-N 1 0 239.403 3.528 20 30 BHEDRO CCCCCCC[NH2+]C(C)(C)C1CCOCC1 ZINC000786155663 585887916 /nfs/dbraw/zinc/88/79/16/585887916.db2.gz BVRGBDMNSOXTFW-UHFFFAOYSA-N 1 0 241.419 3.752 20 30 BHEDRO C=CC[N@H+](Cc1cc(Cl)cs1)C(C)C ZINC000787101064 585901486 /nfs/dbraw/zinc/90/14/86/585901486.db2.gz KPMKPKYESGWCIH-UHFFFAOYSA-N 1 0 229.776 3.798 20 30 BHEDRO C=CC[N@H+](Cc1ccc2cnccc2c1)C(C)C ZINC000787102204 585901465 /nfs/dbraw/zinc/90/14/65/585901465.db2.gz OCTHPHJGLYROBR-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO CCc1cccc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000787251206 585903983 /nfs/dbraw/zinc/90/39/83/585903983.db2.gz JLFCLDIXLWOECT-UHFFFAOYSA-N 1 0 244.382 3.621 20 30 BHEDRO N#CCC[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000787300150 585906139 /nfs/dbraw/zinc/90/61/39/585906139.db2.gz FXZPTBSJTSETGP-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000787309130 585906549 /nfs/dbraw/zinc/90/65/49/585906549.db2.gz HXNZQNPTOCYFJW-HNNXBMFYSA-N 1 0 245.366 3.550 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000787309134 585906685 /nfs/dbraw/zinc/90/66/85/585906685.db2.gz HXNZQNPTOCYFJW-OAHLLOKOSA-N 1 0 245.366 3.550 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccc2[nH]ccc2c1 ZINC000787367149 585908096 /nfs/dbraw/zinc/90/80/96/585908096.db2.gz XVVNBTTUKWHTIH-UHFFFAOYSA-N 1 0 242.366 3.956 20 30 BHEDRO C#CC(C)(C)[N@H+](C)Cc1cccc2ccccc21 ZINC000787996891 585918851 /nfs/dbraw/zinc/91/88/51/585918851.db2.gz BHENFEDSKWYFPD-UHFFFAOYSA-N 1 0 237.346 3.683 20 30 BHEDRO C#CC[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000788593492 585927449 /nfs/dbraw/zinc/92/74/49/585927449.db2.gz SGUWYONTUPSPDG-HNNXBMFYSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000788593495 585927240 /nfs/dbraw/zinc/92/72/40/585927240.db2.gz SGUWYONTUPSPDG-OAHLLOKOSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H]1CC=C(C)CC1)c1ccccc1 ZINC000788691054 585929240 /nfs/dbraw/zinc/92/92/40/585929240.db2.gz XSBOYXWRHDHUSI-DLBZAZTESA-N 1 0 239.362 3.839 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccccc1 ZINC000788691066 585929041 /nfs/dbraw/zinc/92/90/41/585929041.db2.gz XSBOYXWRHDHUSI-IAGOWNOFSA-N 1 0 239.362 3.839 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CC=C(C)CC1)c1ccccc1 ZINC000788691067 585929249 /nfs/dbraw/zinc/92/92/49/585929249.db2.gz XSBOYXWRHDHUSI-IRXDYDNUSA-N 1 0 239.362 3.839 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccccc1 ZINC000788691068 585929054 /nfs/dbraw/zinc/92/90/54/585929054.db2.gz XSBOYXWRHDHUSI-SJORKVTESA-N 1 0 239.362 3.839 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788797892 585930429 /nfs/dbraw/zinc/93/04/29/585930429.db2.gz NFHMNMDBJPTDMM-CYBMUJFWSA-N 1 0 233.355 3.626 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788797893 585930419 /nfs/dbraw/zinc/93/04/19/585930419.db2.gz NFHMNMDBJPTDMM-ZDUSSCGKSA-N 1 0 233.355 3.626 20 30 BHEDRO C#CCCCC[NH2+]Cc1c(Cl)cccc1CC ZINC000788963443 585932692 /nfs/dbraw/zinc/93/26/92/585932692.db2.gz HHCOSJSOOCKVBY-UHFFFAOYSA-N 1 0 249.785 3.796 20 30 BHEDRO CC(C)C(C=[NH+]n1cnc2ccccc21)C(C)C ZINC000788976445 585932652 /nfs/dbraw/zinc/93/26/52/585932652.db2.gz YPXJKVZSGWDRMQ-UHFFFAOYSA-N 1 0 243.354 3.798 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000788984523 585932969 /nfs/dbraw/zinc/93/29/69/585932969.db2.gz OKLLPOXUIBJGLO-GFCCVEGCSA-N 1 0 243.341 3.594 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000788984524 585932855 /nfs/dbraw/zinc/93/28/55/585932855.db2.gz OKLLPOXUIBJGLO-LBPRGKRZSA-N 1 0 243.341 3.594 20 30 BHEDRO C#CCCC[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000789547908 585943846 /nfs/dbraw/zinc/94/38/46/585943846.db2.gz BPHRQQSSIZVBIX-UHFFFAOYSA-N 1 0 241.378 3.582 20 30 BHEDRO C=CC[N@H+](Cc1cc2ccccc2[nH]1)C(C)C ZINC000789726464 585949139 /nfs/dbraw/zinc/94/91/39/585949139.db2.gz MRIUYBZINBVYFR-UHFFFAOYSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000790494228 585965447 /nfs/dbraw/zinc/96/54/47/585965447.db2.gz ASHNOKWVJCQSOM-AWEZNQCLSA-N 1 0 246.398 3.760 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000790494230 585965480 /nfs/dbraw/zinc/96/54/80/585965480.db2.gz ASHNOKWVJCQSOM-CQSZACIVSA-N 1 0 246.398 3.760 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000790494259 585965455 /nfs/dbraw/zinc/96/54/55/585965455.db2.gz BLTRSGQDUMOISX-CYBMUJFWSA-N 1 0 233.355 3.626 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000790494264 585965569 /nfs/dbraw/zinc/96/55/69/585965569.db2.gz BLTRSGQDUMOISX-ZDUSSCGKSA-N 1 0 233.355 3.626 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000790494961 585965394 /nfs/dbraw/zinc/96/53/94/585965394.db2.gz IGUQQPXFWGCMSX-AWEZNQCLSA-N 1 0 247.382 3.929 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000790494989 585965528 /nfs/dbraw/zinc/96/55/28/585965528.db2.gz IGUQQPXFWGCMSX-CQSZACIVSA-N 1 0 247.382 3.929 20 30 BHEDRO C=CCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000790495602 585965403 /nfs/dbraw/zinc/96/54/03/585965403.db2.gz JMJZTXGHEVFHHR-CMPLNLGQSA-N 1 0 249.329 3.635 20 30 BHEDRO C=CCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000790495604 585965591 /nfs/dbraw/zinc/96/55/91/585965591.db2.gz JMJZTXGHEVFHHR-JQWIXIFHSA-N 1 0 249.329 3.635 20 30 BHEDRO C=CCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000790495605 585965560 /nfs/dbraw/zinc/96/55/60/585965560.db2.gz JMJZTXGHEVFHHR-PWSUYJOCSA-N 1 0 249.329 3.635 20 30 BHEDRO C=CCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000790495607 585965521 /nfs/dbraw/zinc/96/55/21/585965521.db2.gz JMJZTXGHEVFHHR-ZYHUDNBSSA-N 1 0 249.329 3.635 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000790496957 585965416 /nfs/dbraw/zinc/96/54/16/585965416.db2.gz QGZRVJCPBBJQMO-INIZCTEOSA-N 1 0 246.398 3.760 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000790496958 585965552 /nfs/dbraw/zinc/96/55/52/585965552.db2.gz QGZRVJCPBBJQMO-MRXNPFEDSA-N 1 0 246.398 3.760 20 30 BHEDRO C=CCOCCC[NH2+][C@@H](CC)C1CCCCC1 ZINC000791492094 585982183 /nfs/dbraw/zinc/98/21/83/585982183.db2.gz FRNGBFJAQDFIQY-HNNXBMFYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCOCCC[NH2+][C@H](CC)C1CCCCC1 ZINC000791492095 585982150 /nfs/dbraw/zinc/98/21/50/585982150.db2.gz FRNGBFJAQDFIQY-OAHLLOKOSA-N 1 0 239.403 3.528 20 30 BHEDRO C=C(C)C[N@H+](C/C=C/Cl)Cc1ccccc1 ZINC000791565348 585983964 /nfs/dbraw/zinc/98/39/64/585983964.db2.gz AJWIBEWSMZJNRO-RMKNXTFCSA-N 1 0 235.758 3.817 20 30 BHEDRO C=C(C)C[N@H+](C/C=C\Cl)Cc1ccccc1 ZINC000791565349 585984020 /nfs/dbraw/zinc/98/40/20/585984020.db2.gz AJWIBEWSMZJNRO-TWGQIWQCSA-N 1 0 235.758 3.817 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000791604675 585985141 /nfs/dbraw/zinc/98/51/41/585985141.db2.gz LNBFZXIEQLIPBR-INIZCTEOSA-N 1 0 241.378 3.506 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000791605452 585985040 /nfs/dbraw/zinc/98/50/40/585985040.db2.gz LNBFZXIEQLIPBR-MRXNPFEDSA-N 1 0 241.378 3.506 20 30 BHEDRO CCCCCCCCC[NH+]1CCC(OC)CC1 ZINC000792196597 585997439 /nfs/dbraw/zinc/99/74/39/585997439.db2.gz OFNLPUJYKHDFIM-UHFFFAOYSA-N 1 0 241.419 3.848 20 30 BHEDRO CC(C)[C@H](C)[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000792205533 585998214 /nfs/dbraw/zinc/99/82/14/585998214.db2.gz QNSRTZZMLZPLDT-HNNXBMFYSA-N 1 0 241.378 3.547 20 30 BHEDRO CC(C)[C@@H](C)[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000792205534 585998011 /nfs/dbraw/zinc/99/80/11/585998011.db2.gz QNSRTZZMLZPLDT-OAHLLOKOSA-N 1 0 241.378 3.547 20 30 BHEDRO CCCCCCCCC[N@@H+]1CC[C@H](COC)C1 ZINC000792231968 585998316 /nfs/dbraw/zinc/99/83/16/585998316.db2.gz RSHJFKHTZKYIEC-HNNXBMFYSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCCCC[N@@H+]1CC[C@@H](COC)C1 ZINC000792231969 585998390 /nfs/dbraw/zinc/99/83/90/585998390.db2.gz RSHJFKHTZKYIEC-OAHLLOKOSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCCCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000792252743 644795544 /nfs/dbraw/zinc/79/55/44/644795544.db2.gz CJENSQRSYJAUCW-UHFFFAOYSA-N 1 0 249.402 3.518 20 30 BHEDRO CCCCCCCCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000792264516 644796425 /nfs/dbraw/zinc/79/64/25/644796425.db2.gz QDRYKHKHLMNRGG-UHFFFAOYSA-N 1 0 249.402 3.518 20 30 BHEDRO CCCCCCCCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000792287192 585998946 /nfs/dbraw/zinc/99/89/46/585998946.db2.gz PONMANDVDWDDOA-CYBMUJFWSA-N 1 0 237.391 3.811 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000792287193 585999035 /nfs/dbraw/zinc/99/90/35/585999035.db2.gz PONMANDVDWDDOA-ZDUSSCGKSA-N 1 0 237.391 3.811 20 30 BHEDRO CCCCCCC[NH2+]CCCc1ccc(C)nc1 ZINC000792889049 586006379 /nfs/dbraw/zinc/00/63/79/586006379.db2.gz MCGKTOPVQOABAJ-UHFFFAOYSA-N 1 0 248.414 3.883 20 30 BHEDRO C=C(Cl)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000792923833 586007190 /nfs/dbraw/zinc/00/71/90/586007190.db2.gz HEOUBMNZKMBIHT-UHFFFAOYSA-N 1 0 223.747 3.606 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792929283 586006870 /nfs/dbraw/zinc/00/68/70/586006870.db2.gz ZEODKFKZNVLLKC-CABCVRRESA-N 1 0 239.403 3.600 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000792929288 586007181 /nfs/dbraw/zinc/00/71/81/586007181.db2.gz ZEODKFKZNVLLKC-GJZGRUSLSA-N 1 0 239.403 3.600 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000792929291 586006905 /nfs/dbraw/zinc/00/69/05/586006905.db2.gz ZEODKFKZNVLLKC-HUUCEWRRSA-N 1 0 239.403 3.600 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000792929295 586007148 /nfs/dbraw/zinc/00/71/48/586007148.db2.gz ZEODKFKZNVLLKC-LSDHHAIUSA-N 1 0 239.403 3.600 20 30 BHEDRO C#CCCC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000792998805 586008019 /nfs/dbraw/zinc/00/80/19/586008019.db2.gz CGSZYSZYIANNHC-CHWSQXEVSA-N 1 0 249.785 3.835 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000792998806 586008217 /nfs/dbraw/zinc/00/82/17/586008217.db2.gz CGSZYSZYIANNHC-OLZOCXBDSA-N 1 0 249.785 3.835 20 30 BHEDRO C#CCCC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000792998808 586008156 /nfs/dbraw/zinc/00/81/56/586008156.db2.gz CGSZYSZYIANNHC-QWHCGFSZSA-N 1 0 249.785 3.835 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000792998811 586008075 /nfs/dbraw/zinc/00/80/75/586008075.db2.gz CGSZYSZYIANNHC-STQMWFEESA-N 1 0 249.785 3.835 20 30 BHEDRO C#CCCC[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000793000225 586008069 /nfs/dbraw/zinc/00/80/69/586008069.db2.gz IAHYGISSCRALKM-KRWDZBQOSA-N 1 0 243.394 3.819 20 30 BHEDRO C#CCCC[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000793000228 586008054 /nfs/dbraw/zinc/00/80/54/586008054.db2.gz IAHYGISSCRALKM-QGZVFWFLSA-N 1 0 243.394 3.819 20 30 BHEDRO CC[C@H](C)CO[NH+]=C1CCCNc2ccccc21 ZINC000793159297 711774580 /nfs/dbraw/zinc/77/45/80/711774580.db2.gz MPHQBLXHSJAXGI-LBPRGKRZSA-N 1 0 246.354 3.659 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cccnc1 ZINC000793515697 586021221 /nfs/dbraw/zinc/02/12/21/586021221.db2.gz IQWZYUWVRMVTOP-AWEZNQCLSA-N 1 0 232.371 3.696 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC000793515699 586021505 /nfs/dbraw/zinc/02/15/05/586021505.db2.gz IQWZYUWVRMVTOP-CQSZACIVSA-N 1 0 232.371 3.696 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CCc1ccco1 ZINC000793515757 586021305 /nfs/dbraw/zinc/02/13/05/586021305.db2.gz JKDDCPWYNSARFE-AWEZNQCLSA-N 1 0 235.371 3.937 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1ccco1 ZINC000793515758 586021285 /nfs/dbraw/zinc/02/12/85/586021285.db2.gz JKDDCPWYNSARFE-CQSZACIVSA-N 1 0 235.371 3.937 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CCc1ccccn1 ZINC000793521200 586021223 /nfs/dbraw/zinc/02/12/23/586021223.db2.gz VWDXYNJSDBDAPT-HNNXBMFYSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1ccccn1 ZINC000793521201 586021363 /nfs/dbraw/zinc/02/13/63/586021363.db2.gz VWDXYNJSDBDAPT-OAHLLOKOSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000793522440 586021746 /nfs/dbraw/zinc/02/17/46/586021746.db2.gz BOFDKGWNCBFVPD-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000793522442 586021633 /nfs/dbraw/zinc/02/16/33/586021633.db2.gz BOFDKGWNCBFVPD-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000793522445 586021556 /nfs/dbraw/zinc/02/15/56/586021556.db2.gz BOFDKGWNCBFVPD-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000793522447 586021530 /nfs/dbraw/zinc/02/15/30/586021530.db2.gz BOFDKGWNCBFVPD-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000793522990 586021542 /nfs/dbraw/zinc/02/15/42/586021542.db2.gz OPVYNAVGBIOZIK-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000793522993 586021826 /nfs/dbraw/zinc/02/18/26/586021826.db2.gz OPVYNAVGBIOZIK-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000793522995 586021525 /nfs/dbraw/zinc/02/15/25/586021525.db2.gz OPVYNAVGBIOZIK-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000793522999 586021839 /nfs/dbraw/zinc/02/18/39/586021839.db2.gz OPVYNAVGBIOZIK-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000793523013 586021803 /nfs/dbraw/zinc/02/18/03/586021803.db2.gz OXTLHUPYPXDUGK-GFCCVEGCSA-N 1 0 236.359 3.598 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000793523015 586020992 /nfs/dbraw/zinc/02/09/92/586020992.db2.gz OXTLHUPYPXDUGK-LBPRGKRZSA-N 1 0 236.359 3.598 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CCc1cccnc1 ZINC000793525499 586021613 /nfs/dbraw/zinc/02/16/13/586021613.db2.gz OQCQSJBOYFRGLY-HNNXBMFYSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1cccnc1 ZINC000793525500 586021681 /nfs/dbraw/zinc/02/16/81/586021681.db2.gz OQCQSJBOYFRGLY-OAHLLOKOSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC1CCOCC1 ZINC000793528280 586021960 /nfs/dbraw/zinc/02/19/60/586021960.db2.gz RBNDYSLWUQEUFA-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC000793528281 586022058 /nfs/dbraw/zinc/02/20/58/586022058.db2.gz RBNDYSLWUQEUFA-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000793528592 586022044 /nfs/dbraw/zinc/02/20/44/586022044.db2.gz SINBDZNHZOUWNF-GFCCVEGCSA-N 1 0 236.359 3.598 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc(C)no1 ZINC000793528594 586022091 /nfs/dbraw/zinc/02/20/91/586022091.db2.gz SINBDZNHZOUWNF-LBPRGKRZSA-N 1 0 236.359 3.598 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC000793529984 586022029 /nfs/dbraw/zinc/02/20/29/586022029.db2.gz CONCIHGDKXBMKL-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC000793529986 586021846 /nfs/dbraw/zinc/02/18/46/586021846.db2.gz CONCIHGDKXBMKL-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@]1(C)CCCOC1 ZINC000793529987 586021848 /nfs/dbraw/zinc/02/18/48/586021848.db2.gz CONCIHGDKXBMKL-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@]1(C)CCCOC1 ZINC000793529990 586022024 /nfs/dbraw/zinc/02/20/24/586022024.db2.gz CONCIHGDKXBMKL-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000793531789 586021953 /nfs/dbraw/zinc/02/19/53/586021953.db2.gz JGGYNGWSRLIXOZ-AWEZNQCLSA-N 1 0 234.387 3.640 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000793531790 586022099 /nfs/dbraw/zinc/02/20/99/586022099.db2.gz JGGYNGWSRLIXOZ-CQSZACIVSA-N 1 0 234.387 3.640 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CCc1ccncc1 ZINC000793531882 586022014 /nfs/dbraw/zinc/02/20/14/586022014.db2.gz KVRRHGGQBNLACG-HNNXBMFYSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1ccncc1 ZINC000793531884 586022081 /nfs/dbraw/zinc/02/20/81/586022081.db2.gz KVRRHGGQBNLACG-OAHLLOKOSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000793533892 586021879 /nfs/dbraw/zinc/02/18/79/586021879.db2.gz KZMWLPZMAMYUAZ-KBPBESRZSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000793533894 586022062 /nfs/dbraw/zinc/02/20/62/586022062.db2.gz KZMWLPZMAMYUAZ-KGLIPLIRSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000793533896 586021995 /nfs/dbraw/zinc/02/19/95/586021995.db2.gz KZMWLPZMAMYUAZ-UONOGXRCSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000793533897 586021858 /nfs/dbraw/zinc/02/18/58/586021858.db2.gz KZMWLPZMAMYUAZ-ZIAGYGMSSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000793536378 586022112 /nfs/dbraw/zinc/02/21/12/586022112.db2.gz TYOPSQFBPNUWCB-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000793536380 586022176 /nfs/dbraw/zinc/02/21/76/586022176.db2.gz TYOPSQFBPNUWCB-RRFJBIMHSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000793536615 586022161 /nfs/dbraw/zinc/02/21/61/586022161.db2.gz TYOPSQFBPNUWCB-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000793536617 586022309 /nfs/dbraw/zinc/02/23/09/586022309.db2.gz TYOPSQFBPNUWCB-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000793537507 586022184 /nfs/dbraw/zinc/02/21/84/586022184.db2.gz ZSQBRDGRSJRWQQ-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000793537509 586022137 /nfs/dbraw/zinc/02/21/37/586022137.db2.gz ZSQBRDGRSJRWQQ-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000793537510 586022155 /nfs/dbraw/zinc/02/21/55/586022155.db2.gz ZSQBRDGRSJRWQQ-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000793537513 586022239 /nfs/dbraw/zinc/02/22/39/586022239.db2.gz ZSQBRDGRSJRWQQ-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cnn(CC)c1 ZINC000793537836 586022165 /nfs/dbraw/zinc/02/21/65/586022165.db2.gz BOSFMSINTCSGHQ-AWEZNQCLSA-N 1 0 249.402 3.518 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cnn(CC)c1 ZINC000793537838 586022232 /nfs/dbraw/zinc/02/22/32/586022232.db2.gz BOSFMSINTCSGHQ-CQSZACIVSA-N 1 0 249.402 3.518 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000793542586 636058064 /nfs/dbraw/zinc/05/80/64/636058064.db2.gz ROZODLSFINFGAZ-CABCVRRESA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000793542589 636058549 /nfs/dbraw/zinc/05/85/49/636058549.db2.gz ROZODLSFINFGAZ-GJZGRUSLSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000793542591 636058210 /nfs/dbraw/zinc/05/82/10/636058210.db2.gz ROZODLSFINFGAZ-HUUCEWRRSA-N 1 0 241.419 3.508 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000793542595 636058151 /nfs/dbraw/zinc/05/81/51/636058151.db2.gz ROZODLSFINFGAZ-LSDHHAIUSA-N 1 0 241.419 3.508 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000793543318 586022442 /nfs/dbraw/zinc/02/24/42/586022442.db2.gz ZKRWIRNGHVCLJN-HNNXBMFYSA-N 1 0 249.785 3.658 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000793543320 586022475 /nfs/dbraw/zinc/02/24/75/586022475.db2.gz ZKRWIRNGHVCLJN-OAHLLOKOSA-N 1 0 249.785 3.658 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000793543634 586022416 /nfs/dbraw/zinc/02/24/16/586022416.db2.gz VYWSUQHYVZJDPS-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000793543636 586022575 /nfs/dbraw/zinc/02/25/75/586022575.db2.gz VYWSUQHYVZJDPS-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000793543638 586022445 /nfs/dbraw/zinc/02/24/45/586022445.db2.gz VYWSUQHYVZJDPS-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000793543639 586022429 /nfs/dbraw/zinc/02/24/29/586022429.db2.gz VYWSUQHYVZJDPS-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc(CC)n[nH]1 ZINC000793543851 586022477 /nfs/dbraw/zinc/02/24/77/586022477.db2.gz WPRMXUSASJXZMD-CYBMUJFWSA-N 1 0 249.402 3.587 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc(CC)n[nH]1 ZINC000793543852 586022562 /nfs/dbraw/zinc/02/25/62/586022562.db2.gz WPRMXUSASJXZMD-ZDUSSCGKSA-N 1 0 249.402 3.587 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000793545656 583589496 /nfs/dbraw/zinc/58/94/96/583589496.db2.gz JSFCIDKHPSDEQA-KKUMJFAQSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000793545657 583589308 /nfs/dbraw/zinc/58/93/08/583589308.db2.gz JSFCIDKHPSDEQA-RRFJBIMHSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000793545658 583589593 /nfs/dbraw/zinc/58/95/93/583589593.db2.gz JSFCIDKHPSDEQA-SOUVJXGZSA-N 1 0 239.403 3.669 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000793545659 583589356 /nfs/dbraw/zinc/58/93/56/583589356.db2.gz JSFCIDKHPSDEQA-ZNMIVQPWSA-N 1 0 239.403 3.669 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000793545850 586022581 /nfs/dbraw/zinc/02/25/81/586022581.db2.gz DCLZWUKZFWYHTO-CABCVRRESA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000793545851 586022593 /nfs/dbraw/zinc/02/25/93/586022593.db2.gz DCLZWUKZFWYHTO-GJZGRUSLSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000793545852 586022444 /nfs/dbraw/zinc/02/24/44/586022444.db2.gz DCLZWUKZFWYHTO-HUUCEWRRSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000793545853 586022613 /nfs/dbraw/zinc/02/26/13/586022613.db2.gz DCLZWUKZFWYHTO-LSDHHAIUSA-N 1 0 227.351 3.529 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000793546469 586022417 /nfs/dbraw/zinc/02/24/17/586022417.db2.gz FUQSHUOHXSRLKJ-CHWSQXEVSA-N 1 0 235.375 3.585 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000793546471 586022510 /nfs/dbraw/zinc/02/25/10/586022510.db2.gz FUQSHUOHXSRLKJ-OLZOCXBDSA-N 1 0 235.375 3.585 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000793546473 586022487 /nfs/dbraw/zinc/02/24/87/586022487.db2.gz FUQSHUOHXSRLKJ-QWHCGFSZSA-N 1 0 235.375 3.585 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000793546475 586022393 /nfs/dbraw/zinc/02/23/93/586022393.db2.gz FUQSHUOHXSRLKJ-STQMWFEESA-N 1 0 235.375 3.585 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000793548177 586022408 /nfs/dbraw/zinc/02/24/08/586022408.db2.gz TZJGHIHRQBHFAS-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000793548178 586022503 /nfs/dbraw/zinc/02/25/03/586022503.db2.gz TZJGHIHRQBHFAS-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000793548179 586022663 /nfs/dbraw/zinc/02/26/63/586022663.db2.gz TZJGHIHRQBHFAS-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000793548180 586022820 /nfs/dbraw/zinc/02/28/20/586022820.db2.gz TZJGHIHRQBHFAS-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000793555112 586022833 /nfs/dbraw/zinc/02/28/33/586022833.db2.gz UILLJJRSEQJPOL-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000793555115 586022731 /nfs/dbraw/zinc/02/27/31/586022731.db2.gz UILLJJRSEQJPOL-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000793555118 586022818 /nfs/dbraw/zinc/02/28/18/586022818.db2.gz UILLJJRSEQJPOL-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000793555119 586022986 /nfs/dbraw/zinc/02/29/86/586022986.db2.gz UILLJJRSEQJPOL-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC1(OC)CCC1 ZINC000793556823 583590046 /nfs/dbraw/zinc/59/00/46/583590046.db2.gz ZMAYCFBJUOILTQ-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(OC)CCC1 ZINC000793556825 583589811 /nfs/dbraw/zinc/58/98/11/583589811.db2.gz ZMAYCFBJUOILTQ-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000793557439 586023128 /nfs/dbraw/zinc/02/31/28/586023128.db2.gz MNBWKRXUVUJNHU-ILXRZTDVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000793557440 586022979 /nfs/dbraw/zinc/02/29/79/586022979.db2.gz MNBWKRXUVUJNHU-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000793557441 586023047 /nfs/dbraw/zinc/02/30/47/586023047.db2.gz MNBWKRXUVUJNHU-QLFBSQMISA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000793557442 583590049 /nfs/dbraw/zinc/59/00/49/583590049.db2.gz MNBWKRXUVUJNHU-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000793559008 586022969 /nfs/dbraw/zinc/02/29/69/586022969.db2.gz XYBKVYYJUHHFLJ-CABCVRRESA-N 1 0 237.387 3.794 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000793559009 586022951 /nfs/dbraw/zinc/02/29/51/586022951.db2.gz XYBKVYYJUHHFLJ-GJZGRUSLSA-N 1 0 237.387 3.794 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000793559010 586022984 /nfs/dbraw/zinc/02/29/84/586022984.db2.gz XYBKVYYJUHHFLJ-HUUCEWRRSA-N 1 0 237.387 3.794 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000793559011 586023107 /nfs/dbraw/zinc/02/31/07/586023107.db2.gz XYBKVYYJUHHFLJ-LSDHHAIUSA-N 1 0 237.387 3.794 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000793563526 586023339 /nfs/dbraw/zinc/02/33/39/586023339.db2.gz CVBKZSHRGJZKBP-AWEZNQCLSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000793563529 586023342 /nfs/dbraw/zinc/02/33/42/586023342.db2.gz CVBKZSHRGJZKBP-CQSZACIVSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CC[N@@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000794565466 586043888 /nfs/dbraw/zinc/04/38/88/586043888.db2.gz KJDUNZMKVGQRQH-UHFFFAOYSA-N 1 0 246.741 3.506 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000794611010 586044884 /nfs/dbraw/zinc/04/48/84/586044884.db2.gz WMXOJCSZLOIZCT-OLZOCXBDSA-N 1 0 245.357 3.934 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000794611014 586044918 /nfs/dbraw/zinc/04/49/18/586044918.db2.gz WMXOJCSZLOIZCT-QWHCGFSZSA-N 1 0 245.357 3.934 20 30 BHEDRO CCCCCCC[NH+]1CCC(C)(OCC)CC1 ZINC000794632616 586046138 /nfs/dbraw/zinc/04/61/38/586046138.db2.gz LETMEIJDIIFNGL-UHFFFAOYSA-N 1 0 241.419 3.848 20 30 BHEDRO C#CCCC[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000794683958 586046552 /nfs/dbraw/zinc/04/65/52/586046552.db2.gz JPDKUKWQMOMGHP-HNNXBMFYSA-N 1 0 229.367 3.871 20 30 BHEDRO C#CCCC[N@@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000794683962 586046770 /nfs/dbraw/zinc/04/67/70/586046770.db2.gz JPDKUKWQMOMGHP-OAHLLOKOSA-N 1 0 229.367 3.871 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794811385 586049302 /nfs/dbraw/zinc/04/93/02/586049302.db2.gz QDKWQNKDBIWTTA-GXTWGEPZSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794811386 586049318 /nfs/dbraw/zinc/04/93/18/586049318.db2.gz QDKWQNKDBIWTTA-JSGCOSHPSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794811387 586049297 /nfs/dbraw/zinc/04/92/97/586049297.db2.gz QDKWQNKDBIWTTA-OCCSQVGLSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794811388 586049436 /nfs/dbraw/zinc/04/94/36/586049436.db2.gz QDKWQNKDBIWTTA-TZMCWYRMSA-N 1 0 233.355 3.706 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794827929 586049803 /nfs/dbraw/zinc/04/98/03/586049803.db2.gz MGVZSQAALPBLIW-AWEZNQCLSA-N 1 0 233.355 3.708 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794827930 586049809 /nfs/dbraw/zinc/04/98/09/586049809.db2.gz MGVZSQAALPBLIW-CQSZACIVSA-N 1 0 233.355 3.708 20 30 BHEDRO C=C(C)C[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000795391950 586077116 /nfs/dbraw/zinc/07/71/16/586077116.db2.gz UYOAWKGJJODUPF-UHFFFAOYSA-N 1 0 227.351 3.660 20 30 BHEDRO C=CCC[N@@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000796029085 586096797 /nfs/dbraw/zinc/09/67/97/586096797.db2.gz XRFAEJGOSUAORD-AWEZNQCLSA-N 1 0 235.758 3.835 20 30 BHEDRO C=CCC[N@@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000796029086 586096715 /nfs/dbraw/zinc/09/67/15/586096715.db2.gz XRFAEJGOSUAORD-CQSZACIVSA-N 1 0 235.758 3.835 20 30 BHEDRO CCCCCCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000796196955 586098580 /nfs/dbraw/zinc/09/85/80/586098580.db2.gz XWSQTGULZRIHHK-HNNXBMFYSA-N 1 0 249.402 3.907 20 30 BHEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000796196956 586098727 /nfs/dbraw/zinc/09/87/27/586098727.db2.gz XWSQTGULZRIHHK-OAHLLOKOSA-N 1 0 249.402 3.907 20 30 BHEDRO C#CCC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000796257408 586099725 /nfs/dbraw/zinc/09/97/25/586099725.db2.gz WJLYPOWCJNNABL-UHFFFAOYSA-N 1 0 247.769 3.575 20 30 BHEDRO CCCCCCC[C@H](C)C[NH2+]CC1(C)COC1 ZINC000796275496 586099775 /nfs/dbraw/zinc/09/97/75/586099775.db2.gz LFJGFBPRXPHZFL-AWEZNQCLSA-N 1 0 241.419 3.609 20 30 BHEDRO CCCCCCC[C@@H](C)C[NH2+]CC1(C)COC1 ZINC000796275497 586099827 /nfs/dbraw/zinc/09/98/27/586099827.db2.gz LFJGFBPRXPHZFL-CQSZACIVSA-N 1 0 241.419 3.609 20 30 BHEDRO C#CCCC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000796434458 644811619 /nfs/dbraw/zinc/81/16/19/644811619.db2.gz LUGIKOPQAFQGKW-DOTOQJQBSA-N 1 0 241.378 3.873 20 30 BHEDRO C#CCCC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000796434460 644811656 /nfs/dbraw/zinc/81/16/56/644811656.db2.gz LUGIKOPQAFQGKW-NVXWUHKLSA-N 1 0 241.378 3.873 20 30 BHEDRO C#CCCC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000796434461 644812111 /nfs/dbraw/zinc/81/21/11/644812111.db2.gz LUGIKOPQAFQGKW-RDJZCZTQSA-N 1 0 241.378 3.873 20 30 BHEDRO C#CCCC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000796434463 644811833 /nfs/dbraw/zinc/81/18/33/644811833.db2.gz LUGIKOPQAFQGKW-WBVHZDCISA-N 1 0 241.378 3.873 20 30 BHEDRO CCCCCCCCC[N@H+](C)Cc1cnc[nH]1 ZINC000796460015 586104240 /nfs/dbraw/zinc/10/42/40/586104240.db2.gz ZGSLGFDRTFNZGU-UHFFFAOYSA-N 1 0 237.391 3.592 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000796500520 586105341 /nfs/dbraw/zinc/10/53/41/586105341.db2.gz NSMRAAFUJVMUOZ-HNNXBMFYSA-N 1 0 241.419 3.848 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000796500524 586105548 /nfs/dbraw/zinc/10/55/48/586105548.db2.gz NSMRAAFUJVMUOZ-OAHLLOKOSA-N 1 0 241.419 3.848 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1cnccc1C ZINC000796509909 586105642 /nfs/dbraw/zinc/10/56/42/586105642.db2.gz OJQINOUALJEJBV-UHFFFAOYSA-N 1 0 234.387 3.792 20 30 BHEDRO C#CCC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000796535342 586105967 /nfs/dbraw/zinc/10/59/67/586105967.db2.gz ZHWBDXIOZWYPIT-UHFFFAOYSA-N 1 0 247.769 3.543 20 30 BHEDRO CCCCCCC[NH+]1CCC(F)(F)CC1 ZINC000796538956 586106433 /nfs/dbraw/zinc/10/64/33/586106433.db2.gz RITIKPZTHJVJAH-UHFFFAOYSA-N 1 0 219.319 3.688 20 30 BHEDRO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000796621669 586108423 /nfs/dbraw/zinc/10/84/23/586108423.db2.gz UGPYRHBGGYHXPC-BXUZGUMPSA-N 1 0 235.758 3.822 20 30 BHEDRO C=C(Cl)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000796621671 586108629 /nfs/dbraw/zinc/10/86/29/586108629.db2.gz UGPYRHBGGYHXPC-FZMZJTMJSA-N 1 0 235.758 3.822 20 30 BHEDRO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000796621673 586108683 /nfs/dbraw/zinc/10/86/83/586108683.db2.gz UGPYRHBGGYHXPC-RISCZKNCSA-N 1 0 235.758 3.822 20 30 BHEDRO C=C(Cl)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000796621674 586108656 /nfs/dbraw/zinc/10/86/56/586108656.db2.gz UGPYRHBGGYHXPC-SMDDNHRTSA-N 1 0 235.758 3.822 20 30 BHEDRO CCCCCCCCC[NH2+]C1CCC(O)CC1 ZINC000796674841 586109907 /nfs/dbraw/zinc/10/99/07/586109907.db2.gz KSBXMCWHCWMWFG-UHFFFAOYSA-N 1 0 241.419 3.630 20 30 BHEDRO CCCCCCCCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000796678156 586109948 /nfs/dbraw/zinc/10/99/48/586109948.db2.gz YSHRYCZWTZGSAO-CYBMUJFWSA-N 1 0 237.391 3.811 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000796678159 586110010 /nfs/dbraw/zinc/11/00/10/586110010.db2.gz YSHRYCZWTZGSAO-ZDUSSCGKSA-N 1 0 237.391 3.811 20 30 BHEDRO C=C(C[NH2+][C@H]1CC[C@@H]1C(C)C)c1ccccc1 ZINC000796730927 586111036 /nfs/dbraw/zinc/11/10/36/586111036.db2.gz UBACHJMNZLJDNF-CVEARBPZSA-N 1 0 229.367 3.724 20 30 BHEDRO C=C(C[NH2+][C@H]1CC[C@H]1C(C)C)c1ccccc1 ZINC000796730930 586110849 /nfs/dbraw/zinc/11/08/49/586110849.db2.gz UBACHJMNZLJDNF-HOTGVXAUSA-N 1 0 229.367 3.724 20 30 BHEDRO C=C(C[NH2+][C@@H]1CC[C@@H]1C(C)C)c1ccccc1 ZINC000796730932 586110862 /nfs/dbraw/zinc/11/08/62/586110862.db2.gz UBACHJMNZLJDNF-HZPDHXFCSA-N 1 0 229.367 3.724 20 30 BHEDRO C=C(C[NH2+][C@@H]1CC[C@H]1C(C)C)c1ccccc1 ZINC000796730936 586110876 /nfs/dbraw/zinc/11/08/76/586110876.db2.gz UBACHJMNZLJDNF-JKSUJKDBSA-N 1 0 229.367 3.724 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)c1ccncc1 ZINC000796770545 586112275 /nfs/dbraw/zinc/11/22/75/586112275.db2.gz FAWFAVWMHNSAQI-HRCADAONSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)c1ccncc1 ZINC000796770547 586112245 /nfs/dbraw/zinc/11/22/45/586112245.db2.gz FAWFAVWMHNSAQI-JYJNAYRXSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)c1ccncc1 ZINC000796770549 586112315 /nfs/dbraw/zinc/11/23/15/586112315.db2.gz FAWFAVWMHNSAQI-OWCLPIDISA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)c1ccncc1 ZINC000796770551 586112257 /nfs/dbraw/zinc/11/22/57/586112257.db2.gz FAWFAVWMHNSAQI-PMPSAXMXSA-N 1 0 244.382 3.723 20 30 BHEDRO C#CCCC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000796778623 586112461 /nfs/dbraw/zinc/11/24/61/586112461.db2.gz YUTKNUDRTVKCHY-HNNXBMFYSA-N 1 0 233.355 3.760 20 30 BHEDRO C#CCCC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000796778626 586112409 /nfs/dbraw/zinc/11/24/09/586112409.db2.gz YUTKNUDRTVKCHY-OAHLLOKOSA-N 1 0 233.355 3.760 20 30 BHEDRO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000796780125 586112572 /nfs/dbraw/zinc/11/25/72/586112572.db2.gz HXDFEGMWJCDULO-APHBMKBZSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000796780145 586112447 /nfs/dbraw/zinc/11/24/47/586112447.db2.gz HXDFEGMWJCDULO-MAZHCROVSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000796780147 586112391 /nfs/dbraw/zinc/11/23/91/586112391.db2.gz HXDFEGMWJCDULO-RCBQFDQVSA-N 1 0 242.366 3.643 20 30 BHEDRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000796780148 586112404 /nfs/dbraw/zinc/11/24/04/586112404.db2.gz HXDFEGMWJCDULO-VBNZEHGJSA-N 1 0 242.366 3.643 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)c1ccccc1 ZINC000796847461 586114768 /nfs/dbraw/zinc/11/47/68/586114768.db2.gz UVFSDNYSYMGRAU-IKGGRYGDSA-N 1 0 241.378 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)c1ccccc1 ZINC000796847471 586114713 /nfs/dbraw/zinc/11/47/13/586114713.db2.gz UVFSDNYSYMGRAU-IXDOHACOSA-N 1 0 241.378 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)c1ccccc1 ZINC000796847473 586114767 /nfs/dbraw/zinc/11/47/67/586114767.db2.gz UVFSDNYSYMGRAU-ULQDDVLXSA-N 1 0 241.378 3.775 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)c1ccccc1 ZINC000796847474 583895448 /nfs/dbraw/zinc/89/54/48/583895448.db2.gz UVFSDNYSYMGRAU-YESZJQIVSA-N 1 0 241.378 3.775 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccco1 ZINC000796947076 644815834 /nfs/dbraw/zinc/81/58/34/644815834.db2.gz HRKJAIIEZNNHFM-KBPBESRZSA-N 1 0 247.338 3.569 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccco1 ZINC000796947078 644815210 /nfs/dbraw/zinc/81/52/10/644815210.db2.gz HRKJAIIEZNNHFM-KGLIPLIRSA-N 1 0 247.338 3.569 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccco1 ZINC000796947080 644816151 /nfs/dbraw/zinc/81/61/51/644816151.db2.gz HRKJAIIEZNNHFM-UONOGXRCSA-N 1 0 247.338 3.569 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccco1 ZINC000796947081 644815758 /nfs/dbraw/zinc/81/57/58/644815758.db2.gz HRKJAIIEZNNHFM-ZIAGYGMSSA-N 1 0 247.338 3.569 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCCCC ZINC000797998232 586134942 /nfs/dbraw/zinc/13/49/42/586134942.db2.gz CYWCNUYDZDMVRX-ILXRZTDVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCCCC ZINC000797998233 586134796 /nfs/dbraw/zinc/13/47/96/586134796.db2.gz CYWCNUYDZDMVRX-KFWWJZLASA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCCCC ZINC000797998234 586134906 /nfs/dbraw/zinc/13/49/06/586134906.db2.gz CYWCNUYDZDMVRX-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCCCC ZINC000797998235 586134977 /nfs/dbraw/zinc/13/49/77/586134977.db2.gz CYWCNUYDZDMVRX-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000798502718 586144377 /nfs/dbraw/zinc/14/43/77/586144377.db2.gz VYVIFSRDBCYDJG-HNNXBMFYSA-N 1 0 247.382 3.756 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000798502719 586144358 /nfs/dbraw/zinc/14/43/58/586144358.db2.gz VYVIFSRDBCYDJG-OAHLLOKOSA-N 1 0 247.382 3.756 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000798937777 586154224 /nfs/dbraw/zinc/15/42/24/586154224.db2.gz VLIZSFZWCSDASC-GDBMZVCRSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000798937778 586154071 /nfs/dbraw/zinc/15/40/71/586154071.db2.gz VLIZSFZWCSDASC-GOEBONIOSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000798937779 586154190 /nfs/dbraw/zinc/15/41/90/586154190.db2.gz VLIZSFZWCSDASC-HOCLYGCPSA-N 1 0 229.367 3.927 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000798937780 586154117 /nfs/dbraw/zinc/15/41/17/586154117.db2.gz VLIZSFZWCSDASC-ZBFHGGJFSA-N 1 0 229.367 3.927 20 30 BHEDRO CC(C)C[C@@H](C)C=[NH+]n1cnc2ccccc21 ZINC000799106843 586156548 /nfs/dbraw/zinc/15/65/48/586156548.db2.gz OTBWFPLZAVWTLU-GFCCVEGCSA-N 1 0 229.327 3.552 20 30 BHEDRO CC(C)C[C@H](C)C=[NH+]n1cnc2ccccc21 ZINC000799106844 586156468 /nfs/dbraw/zinc/15/64/68/586156468.db2.gz OTBWFPLZAVWTLU-LBPRGKRZSA-N 1 0 229.327 3.552 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799191892 586166064 /nfs/dbraw/zinc/16/60/64/586166064.db2.gz UWDTWHGOFQGDQR-HNNXBMFYSA-N 1 0 246.398 3.841 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799191893 586166841 /nfs/dbraw/zinc/16/68/41/586166841.db2.gz UWDTWHGOFQGDQR-OAHLLOKOSA-N 1 0 246.398 3.841 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799195972 586167055 /nfs/dbraw/zinc/16/70/55/586167055.db2.gz MZOVPLSSMIOQNJ-HNNXBMFYSA-N 1 0 244.382 3.617 20 30 BHEDRO C=CCCCCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799195974 586167074 /nfs/dbraw/zinc/16/70/74/586167074.db2.gz MZOVPLSSMIOQNJ-OAHLLOKOSA-N 1 0 244.382 3.617 20 30 BHEDRO CCCCCCCC[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000799343157 586172440 /nfs/dbraw/zinc/17/24/40/586172440.db2.gz BGHSWZSITKQBIJ-CABCVRRESA-N 1 0 241.419 3.846 20 30 BHEDRO CCCCCCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000799343158 586172967 /nfs/dbraw/zinc/17/29/67/586172967.db2.gz BGHSWZSITKQBIJ-GJZGRUSLSA-N 1 0 241.419 3.846 20 30 BHEDRO CCCCCCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000799343159 586172754 /nfs/dbraw/zinc/17/27/54/586172754.db2.gz BGHSWZSITKQBIJ-HUUCEWRRSA-N 1 0 241.419 3.846 20 30 BHEDRO CCCCCCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000799343160 586172370 /nfs/dbraw/zinc/17/23/70/586172370.db2.gz BGHSWZSITKQBIJ-LSDHHAIUSA-N 1 0 241.419 3.846 20 30 BHEDRO CC(C)CCCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000799716797 586194337 /nfs/dbraw/zinc/19/43/37/586194337.db2.gz YDXCPPJNALVHDL-CABCVRRESA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CCCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000799716798 586194366 /nfs/dbraw/zinc/19/43/66/586194366.db2.gz YDXCPPJNALVHDL-GJZGRUSLSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CCCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000799716799 586193924 /nfs/dbraw/zinc/19/39/24/586193924.db2.gz YDXCPPJNALVHDL-HUUCEWRRSA-N 1 0 236.403 3.875 20 30 BHEDRO CC(C)CCCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000799716800 586194225 /nfs/dbraw/zinc/19/42/25/586194225.db2.gz YDXCPPJNALVHDL-LSDHHAIUSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCCCC(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000799719038 586194027 /nfs/dbraw/zinc/19/40/27/586194027.db2.gz DYMNMXFXIVOIAB-KBPBESRZSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCCCC(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000799719040 586194385 /nfs/dbraw/zinc/19/43/85/586194385.db2.gz DYMNMXFXIVOIAB-KGLIPLIRSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCCCC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000799719041 586194053 /nfs/dbraw/zinc/19/40/53/586194053.db2.gz DYMNMXFXIVOIAB-UONOGXRCSA-N 1 0 236.403 3.875 20 30 BHEDRO CCCCCC(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000799719043 586194330 /nfs/dbraw/zinc/19/43/30/586194330.db2.gz DYMNMXFXIVOIAB-ZIAGYGMSSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000800399760 586217038 /nfs/dbraw/zinc/21/70/38/586217038.db2.gz FYBXROHMSZSAKE-ABAIWWIYSA-N 1 0 249.785 3.752 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800399762 586216957 /nfs/dbraw/zinc/21/69/57/586216957.db2.gz FYBXROHMSZSAKE-IAQYHMDHSA-N 1 0 249.785 3.752 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000800399764 586217148 /nfs/dbraw/zinc/21/71/48/586217148.db2.gz FYBXROHMSZSAKE-NHYWBVRUSA-N 1 0 249.785 3.752 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800399765 586216930 /nfs/dbraw/zinc/21/69/30/586216930.db2.gz FYBXROHMSZSAKE-XHDPSFHLSA-N 1 0 249.785 3.752 20 30 BHEDRO C=CC[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccncc1 ZINC000800478434 586221841 /nfs/dbraw/zinc/22/18/41/586221841.db2.gz HFKKCNQXOOTEIZ-CABCVRRESA-N 1 0 242.366 3.621 20 30 BHEDRO C=CC[C@H]([NH2+][C@H]1CCC12CCC2)c1ccncc1 ZINC000800478435 586222383 /nfs/dbraw/zinc/22/23/83/586222383.db2.gz HFKKCNQXOOTEIZ-GJZGRUSLSA-N 1 0 242.366 3.621 20 30 BHEDRO C=CC[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccncc1 ZINC000800478436 586222082 /nfs/dbraw/zinc/22/20/82/586222082.db2.gz HFKKCNQXOOTEIZ-HUUCEWRRSA-N 1 0 242.366 3.621 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H]1CCC12CCC2)c1ccncc1 ZINC000800478437 586222066 /nfs/dbraw/zinc/22/20/66/586222066.db2.gz HFKKCNQXOOTEIZ-LSDHHAIUSA-N 1 0 242.366 3.621 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000800483135 586221903 /nfs/dbraw/zinc/22/19/03/586221903.db2.gz ZQDXGSRXVUNEIO-CVEARBPZSA-N 1 0 239.362 3.673 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000800483136 586221998 /nfs/dbraw/zinc/22/19/98/586221998.db2.gz ZQDXGSRXVUNEIO-HOTGVXAUSA-N 1 0 239.362 3.673 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000800483137 586222173 /nfs/dbraw/zinc/22/21/73/586222173.db2.gz ZQDXGSRXVUNEIO-HZPDHXFCSA-N 1 0 239.362 3.673 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000800483138 586221871 /nfs/dbraw/zinc/22/18/71/586221871.db2.gz ZQDXGSRXVUNEIO-JKSUJKDBSA-N 1 0 239.362 3.673 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCC12CCOCC2 ZINC000800483162 586222377 /nfs/dbraw/zinc/22/23/77/586222377.db2.gz AXKPOWIDYGIWTR-AWEZNQCLSA-N 1 0 239.403 3.506 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000800483163 586221934 /nfs/dbraw/zinc/22/19/34/586221934.db2.gz AXKPOWIDYGIWTR-CQSZACIVSA-N 1 0 239.403 3.506 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000800483303 586221832 /nfs/dbraw/zinc/22/18/32/586221832.db2.gz FTVWAFBBXCALGK-CABCVRRESA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000800483304 586221837 /nfs/dbraw/zinc/22/18/37/586221837.db2.gz FTVWAFBBXCALGK-GJZGRUSLSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000800483305 586222995 /nfs/dbraw/zinc/22/29/95/586222995.db2.gz FTVWAFBBXCALGK-HUUCEWRRSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000800483306 586223036 /nfs/dbraw/zinc/22/30/36/586223036.db2.gz FTVWAFBBXCALGK-LSDHHAIUSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)c1cc(C)on1 ZINC000800492334 586223493 /nfs/dbraw/zinc/22/34/93/586223493.db2.gz ILZUENYVWWEOPA-CYBMUJFWSA-N 1 0 238.375 3.994 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000800492335 586223326 /nfs/dbraw/zinc/22/33/26/586223326.db2.gz ILZUENYVWWEOPA-ZDUSSCGKSA-N 1 0 238.375 3.994 20 30 BHEDRO C[C@H](C=[NH+]n1cnc2ccccc21)C(C)(C)C ZINC000800809199 586230495 /nfs/dbraw/zinc/23/04/95/586230495.db2.gz FJTBVGONMJMFQQ-LLVKDONJSA-N 1 0 229.327 3.552 20 30 BHEDRO C[C@@H](C=[NH+]n1cnc2ccccc21)C(C)(C)C ZINC000800809200 586228429 /nfs/dbraw/zinc/22/84/29/586228429.db2.gz FJTBVGONMJMFQQ-NSHDSACASA-N 1 0 229.327 3.552 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000800975780 586238439 /nfs/dbraw/zinc/23/84/39/586238439.db2.gz LARLHDVEDYBDAF-HZMVEIRTSA-N 1 0 239.362 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000800975781 586238717 /nfs/dbraw/zinc/23/87/17/586238717.db2.gz LARLHDVEDYBDAF-VVLHAWIVSA-N 1 0 239.362 3.529 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000800975782 586238512 /nfs/dbraw/zinc/23/85/12/586238512.db2.gz LARLHDVEDYBDAF-YLFCFFPRSA-N 1 0 239.362 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000800975783 586238461 /nfs/dbraw/zinc/23/84/61/586238461.db2.gz LARLHDVEDYBDAF-YVSFHVDLSA-N 1 0 239.362 3.529 20 30 BHEDRO C=C(C)C[N@@H+](CCCC)Cc1ccccc1O ZINC000801594692 586265434 /nfs/dbraw/zinc/26/54/34/586265434.db2.gz KXDIYEMRPUPSCR-UHFFFAOYSA-N 1 0 233.355 3.570 20 30 BHEDRO C=C(C)CC[N@@H+](CCCC)Cc1ccccc1O ZINC000801595110 586265545 /nfs/dbraw/zinc/26/55/45/586265545.db2.gz IFNGWCGBVNWMLU-UHFFFAOYSA-N 1 0 247.382 3.961 20 30 BHEDRO C=CCCC[N@@H+](CCCC)Cc1ccccc1O ZINC000801597770 586266281 /nfs/dbraw/zinc/26/62/81/586266281.db2.gz OIYNOPICKYNRMO-UHFFFAOYSA-N 1 0 247.382 3.961 20 30 BHEDRO C=CCC[N@@H+](CCCC)Cc1ccccc1O ZINC000801598646 586266012 /nfs/dbraw/zinc/26/60/12/586266012.db2.gz DOHQQAUEQQCSCD-UHFFFAOYSA-N 1 0 233.355 3.570 20 30 BHEDRO C=C(Cl)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000801600771 586265934 /nfs/dbraw/zinc/26/59/34/586265934.db2.gz NLUBZWFCMRTOAM-LLVKDONJSA-N 1 0 215.768 3.640 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1CCSC(C)(C)C ZINC000801951147 586282559 /nfs/dbraw/zinc/28/25/59/586282559.db2.gz BOCJLWPREDYCKV-GFCCVEGCSA-N 1 0 227.417 3.559 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1CCSC(C)(C)C ZINC000801951148 586282894 /nfs/dbraw/zinc/28/28/94/586282894.db2.gz BOCJLWPREDYCKV-LBPRGKRZSA-N 1 0 227.417 3.559 20 30 BHEDRO CCCCCCCC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801987052 586285198 /nfs/dbraw/zinc/28/51/98/586285198.db2.gz ODMZGBOIHBJLKP-LBPRGKRZSA-N 1 0 249.345 3.660 20 30 BHEDRO C=CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccncc1 ZINC000802645325 586307035 /nfs/dbraw/zinc/30/70/35/586307035.db2.gz NGOVONYSLKTKAP-DZGCQCFKSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccncc1 ZINC000802645326 586306733 /nfs/dbraw/zinc/30/67/33/586306733.db2.gz NGOVONYSLKTKAP-HIFRSBDPSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccncc1 ZINC000802645327 586307081 /nfs/dbraw/zinc/30/70/81/586307081.db2.gz NGOVONYSLKTKAP-UKRRQHHQSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccncc1 ZINC000802645328 586307150 /nfs/dbraw/zinc/30/71/50/586307150.db2.gz NGOVONYSLKTKAP-ZFWWWQNUSA-N 1 0 246.398 3.971 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000805839178 585909739 /nfs/dbraw/zinc/90/97/39/585909739.db2.gz OGQKHYLOLHQVNB-KBPBESRZSA-N 1 0 221.388 3.546 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000805839193 585909762 /nfs/dbraw/zinc/90/97/62/585909762.db2.gz OGQKHYLOLHQVNB-KGLIPLIRSA-N 1 0 221.388 3.546 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000805839195 585909820 /nfs/dbraw/zinc/90/98/20/585909820.db2.gz OGQKHYLOLHQVNB-UONOGXRCSA-N 1 0 221.388 3.546 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000805839196 585909704 /nfs/dbraw/zinc/90/97/04/585909704.db2.gz OGQKHYLOLHQVNB-ZIAGYGMSSA-N 1 0 221.388 3.546 20 30 BHEDRO C#CCCC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000805839518 585909884 /nfs/dbraw/zinc/90/98/84/585909884.db2.gz QRHVOIJIBPFIFV-CYBMUJFWSA-N 1 0 233.380 3.544 20 30 BHEDRO C#CCCC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000805839525 585909926 /nfs/dbraw/zinc/90/99/26/585909926.db2.gz QRHVOIJIBPFIFV-ZDUSSCGKSA-N 1 0 233.380 3.544 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000806147969 585725903 /nfs/dbraw/zinc/72/59/03/585725903.db2.gz BQIUQPRUJLPFPM-IKGGRYGDSA-N 1 0 239.362 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000806147972 585725928 /nfs/dbraw/zinc/72/59/28/585725928.db2.gz BQIUQPRUJLPFPM-IXDOHACOSA-N 1 0 239.362 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000806147974 585725833 /nfs/dbraw/zinc/72/58/33/585725833.db2.gz BQIUQPRUJLPFPM-ULQDDVLXSA-N 1 0 239.362 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000806147975 585725898 /nfs/dbraw/zinc/72/58/98/585725898.db2.gz BQIUQPRUJLPFPM-YESZJQIVSA-N 1 0 239.362 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1ccccc1 ZINC000806148978 586405488 /nfs/dbraw/zinc/40/54/88/586405488.db2.gz NDHYGNZIJIBXGA-BPUTZDHNSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1ccccc1 ZINC000806148979 586405202 /nfs/dbraw/zinc/40/52/02/586405202.db2.gz NDHYGNZIJIBXGA-CWRNSKLLSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@H]1CC[C@H]1CC)c1ccccc1 ZINC000806148980 586405281 /nfs/dbraw/zinc/40/52/81/586405281.db2.gz NDHYGNZIJIBXGA-KBMXLJTQSA-N 1 0 227.351 3.529 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1ccccc1 ZINC000806148981 586405623 /nfs/dbraw/zinc/40/56/23/586405623.db2.gz NDHYGNZIJIBXGA-VNQPRFMTSA-N 1 0 227.351 3.529 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](CC)c1nccn1C ZINC000806167684 586406642 /nfs/dbraw/zinc/40/66/42/586406642.db2.gz FMHYNVNUUXARKL-AWEZNQCLSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](CC)c1nccn1C ZINC000806167685 586405810 /nfs/dbraw/zinc/40/58/10/586405810.db2.gz FMHYNVNUUXARKL-CQSZACIVSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000806167715 586407120 /nfs/dbraw/zinc/40/71/20/586407120.db2.gz GSMGESNYLBMSIA-GFCCVEGCSA-N 1 0 235.375 3.505 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000806167716 586406686 /nfs/dbraw/zinc/40/66/86/586406686.db2.gz GSMGESNYLBMSIA-LBPRGKRZSA-N 1 0 235.375 3.505 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000806167725 586406627 /nfs/dbraw/zinc/40/66/27/586406627.db2.gz HAHRIWUPIBNADS-AWEZNQCLSA-N 1 0 249.402 3.516 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000806167726 586407110 /nfs/dbraw/zinc/40/71/10/586407110.db2.gz HAHRIWUPIBNADS-CQSZACIVSA-N 1 0 249.402 3.516 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000806167795 582520032 /nfs/dbraw/zinc/52/00/32/582520032.db2.gz KMJGOCJRBGFUKS-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000806167796 582520467 /nfs/dbraw/zinc/52/04/67/582520467.db2.gz KMJGOCJRBGFUKS-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000806167797 582520066 /nfs/dbraw/zinc/52/00/66/582520066.db2.gz KMJGOCJRBGFUKS-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000806167798 582520539 /nfs/dbraw/zinc/52/05/39/582520539.db2.gz KMJGOCJRBGFUKS-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000806167817 586407186 /nfs/dbraw/zinc/40/71/86/586407186.db2.gz LVCVHSXBEPXCOW-AWEZNQCLSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000806167818 586407050 /nfs/dbraw/zinc/40/70/50/586407050.db2.gz LVCVHSXBEPXCOW-CQSZACIVSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000806167973 586406676 /nfs/dbraw/zinc/40/66/76/586406676.db2.gz OYFGJOZMUHJQGF-CABCVRRESA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000806167974 586406523 /nfs/dbraw/zinc/40/65/23/586406523.db2.gz OYFGJOZMUHJQGF-GJZGRUSLSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000806167975 586406790 /nfs/dbraw/zinc/40/67/90/586406790.db2.gz OYFGJOZMUHJQGF-HUUCEWRRSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000806167976 586407130 /nfs/dbraw/zinc/40/71/30/586407130.db2.gz OYFGJOZMUHJQGF-LSDHHAIUSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000806168248 582522337 /nfs/dbraw/zinc/52/23/37/582522337.db2.gz YYAFHXYGQQAWLK-HNNXBMFYSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000806168249 582522431 /nfs/dbraw/zinc/52/24/31/582522431.db2.gz YYAFHXYGQQAWLK-OAHLLOKOSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)C1CCOCC1 ZINC000806168401 586406475 /nfs/dbraw/zinc/40/64/75/586406475.db2.gz KVWAHHPJQUKKHL-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)C1CCOCC1 ZINC000806168402 586407134 /nfs/dbraw/zinc/40/71/34/586407134.db2.gz KVWAHHPJQUKKHL-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCCCC[NH2+][C@H]1CCO[C@@H]1C ZINC000806175479 586407517 /nfs/dbraw/zinc/40/75/17/586407517.db2.gz BBCYKLYHDAGFMS-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCCC[NH2+][C@H]1CCO[C@H]1C ZINC000806175481 586407315 /nfs/dbraw/zinc/40/73/15/586407315.db2.gz BBCYKLYHDAGFMS-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000806175482 586407539 /nfs/dbraw/zinc/40/75/39/586407539.db2.gz BBCYKLYHDAGFMS-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCCC[NH2+][C@@H]1CCO[C@H]1C ZINC000806175484 586407507 /nfs/dbraw/zinc/40/75/07/586407507.db2.gz BBCYKLYHDAGFMS-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCCC[NH2+]C1CCOCC1 ZINC000806176049 586407492 /nfs/dbraw/zinc/40/74/92/586407492.db2.gz ICVDYCBHLGOASR-UHFFFAOYSA-N 1 0 239.403 3.672 20 30 BHEDRO C=CCCCCCCCC[NH2+][C@H]1CCCOC1 ZINC000806176412 586407543 /nfs/dbraw/zinc/40/75/43/586407543.db2.gz LFJMKGYBAJYKFM-HNNXBMFYSA-N 1 0 239.403 3.672 20 30 BHEDRO C=CCCCCCCCC[NH2+][C@@H]1CCCOC1 ZINC000806176413 586407408 /nfs/dbraw/zinc/40/74/08/586407408.db2.gz LFJMKGYBAJYKFM-OAHLLOKOSA-N 1 0 239.403 3.672 20 30 BHEDRO C#CCC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000808768681 586488889 /nfs/dbraw/zinc/48/88/89/586488889.db2.gz OJHVBDRZFBMVHK-GFCCVEGCSA-N 1 0 241.309 3.653 20 30 BHEDRO C#CCC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000808768682 586488896 /nfs/dbraw/zinc/48/88/96/586488896.db2.gz OJHVBDRZFBMVHK-LBPRGKRZSA-N 1 0 241.309 3.653 20 30 BHEDRO C#Cc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000809423168 644889989 /nfs/dbraw/zinc/88/99/89/644889989.db2.gz DBZIAVZHRUMHCF-UHFFFAOYSA-N 1 0 239.362 3.648 20 30 BHEDRO C#Cc1ccc(C[N@@H+](C)Cc2ccccc2C)cc1 ZINC000809538167 586506440 /nfs/dbraw/zinc/50/64/40/586506440.db2.gz IRJRZHIAMNUCHH-UHFFFAOYSA-N 1 0 249.357 3.608 20 30 BHEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000809539463 644889270 /nfs/dbraw/zinc/88/92/70/644889270.db2.gz SVYQWCFZCVGSNO-GOSISDBHSA-N 1 0 247.341 3.615 20 30 BHEDRO C#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000809539464 644889025 /nfs/dbraw/zinc/88/90/25/644889025.db2.gz SVYQWCFZCVGSNO-SFHVURJKSA-N 1 0 247.341 3.615 20 30 BHEDRO C#Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2)cc1 ZINC000809539870 644889909 /nfs/dbraw/zinc/88/99/09/644889909.db2.gz CTJQBLKTHJRAHH-HNNXBMFYSA-N 1 0 249.357 3.861 20 30 BHEDRO C#Cc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2)cc1 ZINC000809539871 644889099 /nfs/dbraw/zinc/88/90/99/644889099.db2.gz CTJQBLKTHJRAHH-OAHLLOKOSA-N 1 0 249.357 3.861 20 30 BHEDRO C#Cc1ccc(C[N@H+](C2CC2)C2CCCC2)cc1 ZINC000809546807 586506597 /nfs/dbraw/zinc/50/65/97/586506597.db2.gz XTAIEEAATKFKKL-UHFFFAOYSA-N 1 0 239.362 3.575 20 30 BHEDRO C=CC[N@H+](Cc1ccc2occc2c1)C(C)C ZINC000809547167 586506638 /nfs/dbraw/zinc/50/66/38/586506638.db2.gz MBZPUXSKVIUSCM-UHFFFAOYSA-N 1 0 229.323 3.829 20 30 BHEDRO C#Cc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000809547443 586506689 /nfs/dbraw/zinc/50/66/89/586506689.db2.gz PZFFNFKMBQILJK-CYBMUJFWSA-N 1 0 229.367 3.534 20 30 BHEDRO C#Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1 ZINC000809547444 586506722 /nfs/dbraw/zinc/50/67/22/586506722.db2.gz PZFFNFKMBQILJK-ZDUSSCGKSA-N 1 0 229.367 3.534 20 30 BHEDRO Cc1cccc([C@@H](C)[NH2+]CC(C)(C)C#N)c1C ZINC000809578372 712584334 /nfs/dbraw/zinc/58/43/34/712584334.db2.gz LWAHKABOUCZQGM-CYBMUJFWSA-N 1 0 230.355 3.504 20 30 BHEDRO Cc1cccc([C@H](C)[NH2+]CC(C)(C)C#N)c1C ZINC000809578373 712584219 /nfs/dbraw/zinc/58/42/19/712584219.db2.gz LWAHKABOUCZQGM-ZDUSSCGKSA-N 1 0 230.355 3.504 20 30 BHEDRO C#Cc1ccc(C[NH+]2C3CCCC2CCC3)cc1 ZINC000809583312 586508486 /nfs/dbraw/zinc/50/84/86/586508486.db2.gz KIZSSNZHHCULOP-UHFFFAOYSA-N 1 0 239.362 3.575 20 30 BHEDRO C#Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000809601571 586509150 /nfs/dbraw/zinc/50/91/50/586509150.db2.gz GHONAIZRSIAGLV-HNNXBMFYSA-N 1 0 249.357 3.561 20 30 BHEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000809601572 586509048 /nfs/dbraw/zinc/50/90/48/586509048.db2.gz GHONAIZRSIAGLV-OAHLLOKOSA-N 1 0 249.357 3.561 20 30 BHEDRO C#Cc1ccc(C[NH2+]Cc2ccc(C)cc2C)cc1 ZINC000809606758 644893432 /nfs/dbraw/zinc/89/34/32/644893432.db2.gz CWVHDBZXSBLFCL-UHFFFAOYSA-N 1 0 249.357 3.575 20 30 BHEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2)cc1 ZINC000809608580 644893945 /nfs/dbraw/zinc/89/39/45/644893945.db2.gz XPBNTGBYYFMJPH-HNNXBMFYSA-N 1 0 249.357 3.827 20 30 BHEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2)cc1 ZINC000809608581 644893269 /nfs/dbraw/zinc/89/32/69/644893269.db2.gz XPBNTGBYYFMJPH-OAHLLOKOSA-N 1 0 249.357 3.827 20 30 BHEDRO C#Cc1ccc(C[NH2+]C(C)(C)c2ccccc2)cc1 ZINC000809609806 644894213 /nfs/dbraw/zinc/89/42/13/644894213.db2.gz OINJZBYUQUOOJV-UHFFFAOYSA-N 1 0 249.357 3.693 20 30 BHEDRO C#Cc1ccc(C[NH2+]Cc2ccc(CC)cc2)cc1 ZINC000809610737 644893802 /nfs/dbraw/zinc/89/38/02/644893802.db2.gz BVZURRBDDDOCOT-UHFFFAOYSA-N 1 0 249.357 3.520 20 30 BHEDRO C#Cc1ccc(C[NH2+][C@@H](CC)c2ccccc2)cc1 ZINC000809611094 644894428 /nfs/dbraw/zinc/89/44/28/644894428.db2.gz QMGXRPYRELHIBY-SFHVURJKSA-N 1 0 249.357 3.909 20 30 BHEDRO C=CC[C@@H]([NH2+]C[C@H](C)CC(C)C)c1ccncc1 ZINC000809620917 586509372 /nfs/dbraw/zinc/50/93/72/586509372.db2.gz RAUKBZKHQCSTQW-GDBMZVCRSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)c1ccncc1 ZINC000809620919 586509440 /nfs/dbraw/zinc/50/94/40/586509440.db2.gz RAUKBZKHQCSTQW-GOEBONIOSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC[C@H]([NH2+]C[C@@H](C)CC(C)C)c1ccncc1 ZINC000809620920 586509441 /nfs/dbraw/zinc/50/94/41/586509441.db2.gz RAUKBZKHQCSTQW-HOCLYGCPSA-N 1 0 246.398 3.971 20 30 BHEDRO C=CC[C@H]([NH2+]C[C@H](C)CC(C)C)c1ccncc1 ZINC000809620921 586509461 /nfs/dbraw/zinc/50/94/61/586509461.db2.gz RAUKBZKHQCSTQW-ZBFHGGJFSA-N 1 0 246.398 3.971 20 30 BHEDRO C#Cc1ccc(C[NH2+]Cc2ccccc2CC)cc1 ZINC000809622980 586509484 /nfs/dbraw/zinc/50/94/84/586509484.db2.gz NROKZVHEAPFNDM-UHFFFAOYSA-N 1 0 249.357 3.520 20 30 BHEDRO C#Cc1ccc(C[NH2+]Cc2c(C)cccc2C)cc1 ZINC000809628566 586509751 /nfs/dbraw/zinc/50/97/51/586509751.db2.gz ZEDVKBGLRKFLNH-UHFFFAOYSA-N 1 0 249.357 3.575 20 30 BHEDRO C#Cc1ccc(C[NH2+][C@@H](C)CCCC=C)cc1 ZINC000809631697 586509856 /nfs/dbraw/zinc/50/98/56/586509856.db2.gz GSMGBMPQNSEZDN-AWEZNQCLSA-N 1 0 227.351 3.502 20 30 BHEDRO C#Cc1ccc(C[NH2+][C@H](C)CCCC=C)cc1 ZINC000809631701 586509977 /nfs/dbraw/zinc/50/99/77/586509977.db2.gz GSMGBMPQNSEZDN-CQSZACIVSA-N 1 0 227.351 3.502 20 30 BHEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccsc2)cc1 ZINC000809663313 644895055 /nfs/dbraw/zinc/89/50/55/644895055.db2.gz SOBRJCNMYOQONC-GFCCVEGCSA-N 1 0 241.359 3.580 20 30 BHEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccsc2)cc1 ZINC000809663314 644895070 /nfs/dbraw/zinc/89/50/70/644895070.db2.gz SOBRJCNMYOQONC-LBPRGKRZSA-N 1 0 241.359 3.580 20 30 BHEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1)C(C)C ZINC000809685238 586512402 /nfs/dbraw/zinc/51/24/02/586512402.db2.gz HYPIZDNNNMRARW-IKGGRYGDSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C(C)C ZINC000809685239 586512231 /nfs/dbraw/zinc/51/22/31/586512231.db2.gz HYPIZDNNNMRARW-IXDOHACOSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)C(C)C ZINC000809685240 586512069 /nfs/dbraw/zinc/51/20/69/586512069.db2.gz HYPIZDNNNMRARW-ULQDDVLXSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C(C)C ZINC000809685241 586512474 /nfs/dbraw/zinc/51/24/74/586512474.db2.gz HYPIZDNNNMRARW-YESZJQIVSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H]([NH2+]Cc1cc2ccccc2s1)C(C)C ZINC000809685434 586512083 /nfs/dbraw/zinc/51/20/83/586512083.db2.gz TZQWPKVAYTUOEW-AWEZNQCLSA-N 1 0 243.375 3.649 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1cc2ccccc2s1)C(C)C ZINC000809685435 586512287 /nfs/dbraw/zinc/51/22/87/586512287.db2.gz TZQWPKVAYTUOEW-CQSZACIVSA-N 1 0 243.375 3.649 20 30 BHEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(C)C ZINC000809685694 586512117 /nfs/dbraw/zinc/51/21/17/586512117.db2.gz LSODJOISVVPROS-BBWFWOEESA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000809685695 586512455 /nfs/dbraw/zinc/51/24/55/586512455.db2.gz LSODJOISVVPROS-IKGGRYGDSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(C)C ZINC000809685696 586512328 /nfs/dbraw/zinc/51/23/28/586512328.db2.gz LSODJOISVVPROS-ULQDDVLXSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000809685697 586512301 /nfs/dbraw/zinc/51/23/01/586512301.db2.gz LSODJOISVVPROS-ZACQAIPSSA-N 1 0 241.378 3.570 20 30 BHEDRO C#C[C@@H](CC)[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000809685717 586512488 /nfs/dbraw/zinc/51/24/88/586512488.db2.gz MVTUBBRYGUOGTR-CVEARBPZSA-N 1 0 229.367 3.572 20 30 BHEDRO C#C[C@@H](CC)[NH2+]C[C@H](CCC)c1ccccc1 ZINC000809685718 586512056 /nfs/dbraw/zinc/51/20/56/586512056.db2.gz MVTUBBRYGUOGTR-HOTGVXAUSA-N 1 0 229.367 3.572 20 30 BHEDRO C#C[C@H](CC)[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000809685719 586512141 /nfs/dbraw/zinc/51/21/41/586512141.db2.gz MVTUBBRYGUOGTR-HZPDHXFCSA-N 1 0 229.367 3.572 20 30 BHEDRO C#C[C@H](CC)[NH2+]C[C@H](CCC)c1ccccc1 ZINC000809685720 586512746 /nfs/dbraw/zinc/51/27/46/586512746.db2.gz MVTUBBRYGUOGTR-JKSUJKDBSA-N 1 0 229.367 3.572 20 30 BHEDRO C#C[C@H]([NH2+]Cc1cccc(SCC)c1)C(C)C ZINC000809685727 586512756 /nfs/dbraw/zinc/51/27/56/586512756.db2.gz NHCSLHGFFYTCEI-HNNXBMFYSA-N 1 0 247.407 3.546 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1cccc(SCC)c1)C(C)C ZINC000809685728 586512639 /nfs/dbraw/zinc/51/26/39/586512639.db2.gz NHCSLHGFFYTCEI-OAHLLOKOSA-N 1 0 247.407 3.546 20 30 BHEDRO C#C[C@@H](CC)[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000809685900 586512650 /nfs/dbraw/zinc/51/26/50/586512650.db2.gz YJGKUBNZCMDMGN-AWEZNQCLSA-N 1 0 241.334 3.551 20 30 BHEDRO C#C[C@H](CC)[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000809685901 586513012 /nfs/dbraw/zinc/51/30/12/586513012.db2.gz YJGKUBNZCMDMGN-CQSZACIVSA-N 1 0 241.334 3.551 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000809686041 586512962 /nfs/dbraw/zinc/51/29/62/586512962.db2.gz JRUBCNHDOSSENO-BRWVUGGUSA-N 1 0 241.378 3.633 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000809686042 586512706 /nfs/dbraw/zinc/51/27/06/586512706.db2.gz JRUBCNHDOSSENO-IKGGRYGDSA-N 1 0 241.378 3.633 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000809686043 586512924 /nfs/dbraw/zinc/51/29/24/586512924.db2.gz JRUBCNHDOSSENO-IXDOHACOSA-N 1 0 241.378 3.633 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000809686044 586513030 /nfs/dbraw/zinc/51/30/30/586513030.db2.gz JRUBCNHDOSSENO-ZACQAIPSSA-N 1 0 241.378 3.633 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000809686337 586512818 /nfs/dbraw/zinc/51/28/18/586512818.db2.gz MIHJQYBEHPAVKQ-LALPHHSUSA-N 1 0 249.785 3.833 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000809686338 586512675 /nfs/dbraw/zinc/51/26/75/586512675.db2.gz MIHJQYBEHPAVKQ-SLEUVZQESA-N 1 0 249.785 3.833 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000809686339 586512784 /nfs/dbraw/zinc/51/27/84/586512784.db2.gz MIHJQYBEHPAVKQ-TYNCELHUSA-N 1 0 249.785 3.833 20 30 BHEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000809686340 586513011 /nfs/dbraw/zinc/51/30/11/586513011.db2.gz MIHJQYBEHPAVKQ-YWPYICTPSA-N 1 0 249.785 3.833 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](CC)Cc1cccs1)C(C)(C)C ZINC000809780924 586519476 /nfs/dbraw/zinc/51/94/76/586519476.db2.gz AONYNCSGGKNEFW-GXTWGEPZSA-N 1 0 249.423 3.707 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](CC)Cc1cccs1)C(C)(C)C ZINC000809780925 586519353 /nfs/dbraw/zinc/51/93/53/586519353.db2.gz AONYNCSGGKNEFW-JSGCOSHPSA-N 1 0 249.423 3.707 20 30 BHEDRO C#C[C@H]([NH2+][C@H](CC)Cc1cccs1)C(C)(C)C ZINC000809780926 586519008 /nfs/dbraw/zinc/51/90/08/586519008.db2.gz AONYNCSGGKNEFW-OCCSQVGLSA-N 1 0 249.423 3.707 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](CC)Cc1cccs1)C(C)(C)C ZINC000809780927 586519011 /nfs/dbraw/zinc/51/90/11/586519011.db2.gz AONYNCSGGKNEFW-TZMCWYRMSA-N 1 0 249.423 3.707 20 30 BHEDRO C#C[C@H]([NH2+]C/C(C)=C/c1ccccc1)C(C)(C)C ZINC000809780950 586519356 /nfs/dbraw/zinc/51/93/56/586519356.db2.gz BIPPEFUROFHFBU-GRNBYLDVSA-N 1 0 241.378 3.727 20 30 BHEDRO C#C[C@H]([NH2+]C/C(C)=C\c1ccccc1)C(C)(C)C ZINC000809780951 586519287 /nfs/dbraw/zinc/51/92/87/586519287.db2.gz BIPPEFUROFHFBU-HECSCLNYSA-N 1 0 241.378 3.727 20 30 BHEDRO C#C[C@@H]([NH2+]C/C(C)=C\c1ccccc1)C(C)(C)C ZINC000809780952 586518946 /nfs/dbraw/zinc/51/89/46/586518946.db2.gz BIPPEFUROFHFBU-OBEJXRGXSA-N 1 0 241.378 3.727 20 30 BHEDRO C#C[C@@H]([NH2+]C/C(C)=C/c1ccccc1)C(C)(C)C ZINC000809780953 586519080 /nfs/dbraw/zinc/51/90/80/586519080.db2.gz BIPPEFUROFHFBU-WCRPCQDQSA-N 1 0 241.378 3.727 20 30 BHEDRO C#C[C@H]([NH2+]Cc1ccc2occc2c1)C(C)(C)C ZINC000809781051 586519551 /nfs/dbraw/zinc/51/95/51/586519551.db2.gz FSAONMXIKOYFSP-HNNXBMFYSA-N 1 0 241.334 3.570 20 30 BHEDRO C#C[C@@H]([NH2+]Cc1ccc2occc2c1)C(C)(C)C ZINC000809781053 586519912 /nfs/dbraw/zinc/51/99/12/586519912.db2.gz FSAONMXIKOYFSP-OAHLLOKOSA-N 1 0 241.334 3.570 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccsc1)C(C)(C)C ZINC000809781247 586519624 /nfs/dbraw/zinc/51/96/24/586519624.db2.gz LDCSROVEWQCFOF-GXTWGEPZSA-N 1 0 249.423 3.707 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccsc1)C(C)(C)C ZINC000809781248 586519869 /nfs/dbraw/zinc/51/98/69/586519869.db2.gz LDCSROVEWQCFOF-JSGCOSHPSA-N 1 0 249.423 3.707 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccsc1)C(C)(C)C ZINC000809781249 586519876 /nfs/dbraw/zinc/51/98/76/586519876.db2.gz LDCSROVEWQCFOF-OCCSQVGLSA-N 1 0 249.423 3.707 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccsc1)C(C)(C)C ZINC000809781250 586519545 /nfs/dbraw/zinc/51/95/45/586519545.db2.gz LDCSROVEWQCFOF-TZMCWYRMSA-N 1 0 249.423 3.707 20 30 BHEDRO C#C[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000809782821 586519670 /nfs/dbraw/zinc/51/96/70/586519670.db2.gz INIJDNPHCDEEBG-DOMZBBRYSA-N 1 0 247.357 3.567 20 30 BHEDRO C#C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000809782822 586519923 /nfs/dbraw/zinc/51/99/23/586519923.db2.gz INIJDNPHCDEEBG-IUODEOHRSA-N 1 0 247.357 3.567 20 30 BHEDRO C#C[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000809782823 586519835 /nfs/dbraw/zinc/51/98/35/586519835.db2.gz INIJDNPHCDEEBG-SWLSCSKDSA-N 1 0 247.357 3.567 20 30 BHEDRO C#C[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000809782824 586519856 /nfs/dbraw/zinc/51/98/56/586519856.db2.gz INIJDNPHCDEEBG-WFASDCNBSA-N 1 0 247.357 3.567 20 30 BHEDRO CCCCCCC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000810045184 586532415 /nfs/dbraw/zinc/53/24/15/586532415.db2.gz GVNZVZHNWRUODK-GFCCVEGCSA-N 1 0 233.346 3.934 20 30 BHEDRO CCCCCCC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000810045185 586532876 /nfs/dbraw/zinc/53/28/76/586532876.db2.gz GVNZVZHNWRUODK-LBPRGKRZSA-N 1 0 233.346 3.934 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1[nH]ncc1C ZINC000810126354 586535057 /nfs/dbraw/zinc/53/50/57/586535057.db2.gz WVKFWRTYEPNFLA-UHFFFAOYSA-N 1 0 237.391 3.558 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1ccncc1 ZINC000810160291 586536044 /nfs/dbraw/zinc/53/60/44/586536044.db2.gz BCTCMKHOBSDZHQ-UHFFFAOYSA-N 1 0 232.371 3.698 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1c(C)n[nH]c1C ZINC000810160418 586536325 /nfs/dbraw/zinc/53/63/25/586536325.db2.gz HBIDXVDQRYWSDQ-UHFFFAOYSA-N 1 0 249.402 3.643 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1ccn(C)c1 ZINC000810160489 586536074 /nfs/dbraw/zinc/53/60/74/586536074.db2.gz IYBAEMAAZYZLMI-UHFFFAOYSA-N 1 0 234.387 3.641 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1ccc(C#N)o1 ZINC000810160616 586536300 /nfs/dbraw/zinc/53/63/00/586536300.db2.gz NDDUYBGVMSRRLZ-UHFFFAOYSA-N 1 0 246.354 3.767 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1ccccn1 ZINC000810160629 586535921 /nfs/dbraw/zinc/53/59/21/586535921.db2.gz NTUDASWMQCCRIL-UHFFFAOYSA-N 1 0 232.371 3.698 20 30 BHEDRO C=CCCCCCCC[NH2+]C[C@@H]1CCCOC1 ZINC000810160692 586535987 /nfs/dbraw/zinc/53/59/87/586535987.db2.gz PSHYWEBSSCNJEP-HNNXBMFYSA-N 1 0 239.403 3.529 20 30 BHEDRO C=CCCCCCCC[NH2+]C[C@H]1CCCOC1 ZINC000810160693 586536003 /nfs/dbraw/zinc/53/60/03/586536003.db2.gz PSHYWEBSSCNJEP-OAHLLOKOSA-N 1 0 239.403 3.529 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1cccnc1 ZINC000810160778 586535976 /nfs/dbraw/zinc/53/59/76/586535976.db2.gz TUVQVUVIUYEJKQ-UHFFFAOYSA-N 1 0 232.371 3.698 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000810160895 586536166 /nfs/dbraw/zinc/53/61/66/586536166.db2.gz XTMVGJNIKQHLBK-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000810160896 586535979 /nfs/dbraw/zinc/53/59/79/586535979.db2.gz XTMVGJNIKQHLBK-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000810160897 586535955 /nfs/dbraw/zinc/53/59/55/586535955.db2.gz XTMVGJNIKQHLBK-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000810160898 586535952 /nfs/dbraw/zinc/53/59/52/586535952.db2.gz XTMVGJNIKQHLBK-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1cccn1C ZINC000810160931 586535980 /nfs/dbraw/zinc/53/59/80/586535980.db2.gz ZJNVJQAOUCFSPN-UHFFFAOYSA-N 1 0 234.387 3.641 20 30 BHEDRO CCCCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000810207268 586536592 /nfs/dbraw/zinc/53/65/92/586536592.db2.gz HAJARFFEFVFUFI-INIZCTEOSA-N 1 0 242.366 3.715 20 30 BHEDRO CCCCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000810207269 586536874 /nfs/dbraw/zinc/53/68/74/586536874.db2.gz HAJARFFEFVFUFI-MRXNPFEDSA-N 1 0 242.366 3.715 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000810242759 586537619 /nfs/dbraw/zinc/53/76/19/586537619.db2.gz HHLZNGTXYSHFKU-AWEZNQCLSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000810242761 586537451 /nfs/dbraw/zinc/53/74/51/586537451.db2.gz HHLZNGTXYSHFKU-CQSZACIVSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000810242762 586537243 /nfs/dbraw/zinc/53/72/43/586537243.db2.gz HIOIBCBIMMDSPS-CABCVRRESA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000810242771 586537476 /nfs/dbraw/zinc/53/74/76/586537476.db2.gz HIOIBCBIMMDSPS-GJZGRUSLSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000810242774 586537450 /nfs/dbraw/zinc/53/74/50/586537450.db2.gz HIOIBCBIMMDSPS-HUUCEWRRSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000810242775 586537428 /nfs/dbraw/zinc/53/74/28/586537428.db2.gz HIOIBCBIMMDSPS-LSDHHAIUSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1cnccn1 ZINC000810242856 586537465 /nfs/dbraw/zinc/53/74/65/586537465.db2.gz IGKPUVDDCRZCCL-AWEZNQCLSA-N 1 0 247.386 3.654 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1cnccn1 ZINC000810242857 586537092 /nfs/dbraw/zinc/53/70/92/586537092.db2.gz IGKPUVDDCRZCCL-CQSZACIVSA-N 1 0 247.386 3.654 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000810243155 586537288 /nfs/dbraw/zinc/53/72/88/586537288.db2.gz MEUUDMJRPZBVPS-CYBMUJFWSA-N 1 0 235.375 3.587 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000810243164 586537072 /nfs/dbraw/zinc/53/70/72/586537072.db2.gz MEUUDMJRPZBVPS-ZDUSSCGKSA-N 1 0 235.375 3.587 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000810243187 586537474 /nfs/dbraw/zinc/53/74/74/586537474.db2.gz MIXMEMVQBXVFHN-CYBMUJFWSA-N 1 0 249.402 3.895 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000810243190 586537115 /nfs/dbraw/zinc/53/71/15/586537115.db2.gz MIXMEMVQBXVFHN-ZDUSSCGKSA-N 1 0 249.402 3.895 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1ccnn1C ZINC000810243256 586537226 /nfs/dbraw/zinc/53/72/26/586537226.db2.gz NFCZEHNFFLEXMU-AWEZNQCLSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1ccnn1C ZINC000810243258 586537275 /nfs/dbraw/zinc/53/72/75/586537275.db2.gz NFCZEHNFFLEXMU-CQSZACIVSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H]1CCCOCC1 ZINC000810243752 586537391 /nfs/dbraw/zinc/53/73/91/586537391.db2.gz SWFMHMYXBBPDOI-HNNXBMFYSA-N 1 0 239.403 3.672 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H]1CCCOCC1 ZINC000810243753 586537382 /nfs/dbraw/zinc/53/73/82/586537382.db2.gz SWFMHMYXBBPDOI-OAHLLOKOSA-N 1 0 239.403 3.672 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000810243816 586537405 /nfs/dbraw/zinc/53/74/05/586537405.db2.gz VBHJTPVXXOQKQV-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000810243817 586537548 /nfs/dbraw/zinc/53/75/48/586537548.db2.gz VBHJTPVXXOQKQV-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000810243818 586537298 /nfs/dbraw/zinc/53/72/98/586537298.db2.gz VBHJTPVXXOQKQV-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000810243819 586537269 /nfs/dbraw/zinc/53/72/69/586537269.db2.gz VBHJTPVXXOQKQV-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1nccn1C ZINC000810243979 586537575 /nfs/dbraw/zinc/53/75/75/586537575.db2.gz WJSJMXNPDFFVRR-AWEZNQCLSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1nccn1C ZINC000810243980 586537301 /nfs/dbraw/zinc/53/73/01/586537301.db2.gz WJSJMXNPDFFVRR-CQSZACIVSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000810243993 586537096 /nfs/dbraw/zinc/53/70/96/586537096.db2.gz WPTBTQBYSAUGFD-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000810243994 586537231 /nfs/dbraw/zinc/53/72/31/586537231.db2.gz WPTBTQBYSAUGFD-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000810243995 586537550 /nfs/dbraw/zinc/53/75/50/586537550.db2.gz WPTBTQBYSAUGFD-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000810243996 586537098 /nfs/dbraw/zinc/53/70/98/586537098.db2.gz WPTBTQBYSAUGFD-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H]1CCOC[C@H]1C ZINC000810244035 586537485 /nfs/dbraw/zinc/53/74/85/586537485.db2.gz XVHCUPWPCYTKLX-CABCVRRESA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000810244036 586537259 /nfs/dbraw/zinc/53/72/59/586537259.db2.gz XVHCUPWPCYTKLX-GJZGRUSLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000810244037 586537439 /nfs/dbraw/zinc/53/74/39/586537439.db2.gz XVHCUPWPCYTKLX-HUUCEWRRSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000810244038 586537608 /nfs/dbraw/zinc/53/76/08/586537608.db2.gz XVHCUPWPCYTKLX-LSDHHAIUSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(SC)s1)C(C)C ZINC000811456446 586559153 /nfs/dbraw/zinc/55/91/53/586559153.db2.gz OXPYFRORVGNSPO-UHFFFAOYSA-N 1 0 241.425 3.866 20 30 BHEDRO C#CCCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000811482474 586559749 /nfs/dbraw/zinc/55/97/49/586559749.db2.gz KQIAUULQVFAPLW-UHFFFAOYSA-N 1 0 243.394 3.530 20 30 BHEDRO C=C(C)C[N@H+](C)CCc1ccc(F)cc1Cl ZINC000811487671 586559941 /nfs/dbraw/zinc/55/99/41/586559941.db2.gz RLAOLFGNFLXSPN-UHFFFAOYSA-N 1 0 241.737 3.530 20 30 BHEDRO C=CCC[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000811494775 586559900 /nfs/dbraw/zinc/55/99/00/586559900.db2.gz VFKJXEJQGIWOFX-UHFFFAOYSA-N 1 0 241.737 3.530 20 30 BHEDRO C=CCCCCCCC[NH2+]C[C@@H]1CCC=CO1 ZINC000811509693 586560159 /nfs/dbraw/zinc/56/01/59/586560159.db2.gz AGHPSVMXDUGKGZ-HNNXBMFYSA-N 1 0 237.387 3.795 20 30 BHEDRO C=CCCCCCCC[NH2+]C[C@H]1CCC=CO1 ZINC000811509694 586560342 /nfs/dbraw/zinc/56/03/42/586560342.db2.gz AGHPSVMXDUGKGZ-OAHLLOKOSA-N 1 0 237.387 3.795 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)CC1CC1)c1ccc(Cl)cc1 ZINC000811516392 586560209 /nfs/dbraw/zinc/56/02/09/586560209.db2.gz NFQYBWHHHAEWQC-ABAIWWIYSA-N 1 0 247.769 3.793 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)CC1CC1)c1ccc(Cl)cc1 ZINC000811516398 586560214 /nfs/dbraw/zinc/56/02/14/586560214.db2.gz NFQYBWHHHAEWQC-IAQYHMDHSA-N 1 0 247.769 3.793 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)CC1CC1)c1ccc(Cl)cc1 ZINC000811516399 586560410 /nfs/dbraw/zinc/56/04/10/586560410.db2.gz NFQYBWHHHAEWQC-NHYWBVRUSA-N 1 0 247.769 3.793 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(Cl)cc1 ZINC000811516401 586560370 /nfs/dbraw/zinc/56/03/70/586560370.db2.gz NFQYBWHHHAEWQC-XHDPSFHLSA-N 1 0 247.769 3.793 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)C1CCC1)c1ccc(Cl)cc1 ZINC000811517177 586560294 /nfs/dbraw/zinc/56/02/94/586560294.db2.gz KCYGQOTUDZGDCX-ABAIWWIYSA-N 1 0 247.769 3.793 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(Cl)cc1 ZINC000811517178 586560306 /nfs/dbraw/zinc/56/03/06/586560306.db2.gz KCYGQOTUDZGDCX-IAQYHMDHSA-N 1 0 247.769 3.793 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(Cl)cc1 ZINC000811517179 586560207 /nfs/dbraw/zinc/56/02/07/586560207.db2.gz KCYGQOTUDZGDCX-NHYWBVRUSA-N 1 0 247.769 3.793 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(Cl)cc1 ZINC000811517180 586560269 /nfs/dbraw/zinc/56/02/69/586560269.db2.gz KCYGQOTUDZGDCX-XHDPSFHLSA-N 1 0 247.769 3.793 20 30 BHEDRO C#CCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000812756183 586583788 /nfs/dbraw/zinc/58/37/88/586583788.db2.gz RSKZIILAENAQFA-UHFFFAOYSA-N 1 0 241.378 3.847 20 30 BHEDRO C#C[C@H]([NH2+]CCC(C)(C)C)c1ccc(F)cc1 ZINC000812792034 586585079 /nfs/dbraw/zinc/58/50/79/586585079.db2.gz IWEHHFUXCYTCOX-AWEZNQCLSA-N 1 0 233.330 3.526 20 30 BHEDRO C#C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(F)cc1 ZINC000812792035 643379464 /nfs/dbraw/zinc/37/94/64/643379464.db2.gz IWEHHFUXCYTCOX-CQSZACIVSA-N 1 0 233.330 3.526 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)CCCC)c1ccc(F)cc1 ZINC000812792499 586585607 /nfs/dbraw/zinc/58/56/07/586585607.db2.gz CAEBIINZWQENJX-DOMZBBRYSA-N 1 0 233.330 3.668 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)CCCC)c1ccc(F)cc1 ZINC000812792501 586585377 /nfs/dbraw/zinc/58/53/77/586585377.db2.gz CAEBIINZWQENJX-IUODEOHRSA-N 1 0 233.330 3.668 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)CCCC)c1ccc(F)cc1 ZINC000812792503 586585624 /nfs/dbraw/zinc/58/56/24/586585624.db2.gz CAEBIINZWQENJX-SWLSCSKDSA-N 1 0 233.330 3.668 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)CCCC)c1ccc(F)cc1 ZINC000812792505 586585433 /nfs/dbraw/zinc/58/54/33/586585433.db2.gz CAEBIINZWQENJX-WFASDCNBSA-N 1 0 233.330 3.668 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)CC(C)C)c1ccc(F)cc1 ZINC000812792558 586585395 /nfs/dbraw/zinc/58/53/95/586585395.db2.gz DIFGBCZGURCYDH-DOMZBBRYSA-N 1 0 233.330 3.524 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)CC(C)C)c1ccc(F)cc1 ZINC000812792560 586585447 /nfs/dbraw/zinc/58/54/47/586585447.db2.gz DIFGBCZGURCYDH-IUODEOHRSA-N 1 0 233.330 3.524 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000812792561 586585403 /nfs/dbraw/zinc/58/54/03/586585403.db2.gz DIFGBCZGURCYDH-SWLSCSKDSA-N 1 0 233.330 3.524 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000812792562 586585388 /nfs/dbraw/zinc/58/53/88/586585388.db2.gz DIFGBCZGURCYDH-WFASDCNBSA-N 1 0 233.330 3.524 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccc(F)cc1 ZINC000812792679 586585651 /nfs/dbraw/zinc/58/56/51/586585651.db2.gz GSBOSPXFJHTCEI-BLLLJJGKSA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)CC1CCC1)c1ccc(F)cc1 ZINC000812792680 586585423 /nfs/dbraw/zinc/58/54/23/586585423.db2.gz GSBOSPXFJHTCEI-LRDDRELGSA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)CC1CCC1)c1ccc(F)cc1 ZINC000812792681 643380455 /nfs/dbraw/zinc/38/04/55/643380455.db2.gz GSBOSPXFJHTCEI-MLGOLLRUSA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)CC1CCC1)c1ccc(F)cc1 ZINC000812792682 643380371 /nfs/dbraw/zinc/38/03/71/643380371.db2.gz GSBOSPXFJHTCEI-WBMJQRKESA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(F)cc1 ZINC000812792770 586585585 /nfs/dbraw/zinc/58/55/85/586585585.db2.gz HTXAYTJQOSDFKB-BLLLJJGKSA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(F)cc1 ZINC000812792772 586585409 /nfs/dbraw/zinc/58/54/09/586585409.db2.gz HTXAYTJQOSDFKB-LRDDRELGSA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)CCC1CC1)c1ccc(F)cc1 ZINC000812792774 586585577 /nfs/dbraw/zinc/58/55/77/586585577.db2.gz HTXAYTJQOSDFKB-MLGOLLRUSA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)CCC1CC1)c1ccc(F)cc1 ZINC000812792776 586585495 /nfs/dbraw/zinc/58/54/95/586585495.db2.gz HTXAYTJQOSDFKB-WBMJQRKESA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@@H]([NH2+]C1CC(C(C)C)C1)c1ccc(F)cc1 ZINC000812793509 586585587 /nfs/dbraw/zinc/58/55/87/586585587.db2.gz XGFUBFMHOHRVRZ-AVVWSFFYSA-N 1 0 245.341 3.524 20 30 BHEDRO C#C[C@H]([NH2+]C1CC(C(C)C)C1)c1ccc(F)cc1 ZINC000812793510 586585597 /nfs/dbraw/zinc/58/55/97/586585597.db2.gz XGFUBFMHOHRVRZ-BCLQGDPASA-N 1 0 245.341 3.524 20 30 BHEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)c1ccc(F)cc1 ZINC000812793931 586585762 /nfs/dbraw/zinc/58/57/62/586585762.db2.gz KMEUTLBSMAGQIY-HRCADAONSA-N 1 0 245.341 3.524 20 30 BHEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)c1ccc(F)cc1 ZINC000812793932 586585709 /nfs/dbraw/zinc/58/57/09/586585709.db2.gz KMEUTLBSMAGQIY-JYJNAYRXSA-N 1 0 245.341 3.524 20 30 BHEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)c1ccc(F)cc1 ZINC000812793933 586585867 /nfs/dbraw/zinc/58/58/67/586585867.db2.gz KMEUTLBSMAGQIY-OWCLPIDISA-N 1 0 245.341 3.524 20 30 BHEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)c1ccc(F)cc1 ZINC000812793934 586585836 /nfs/dbraw/zinc/58/58/36/586585836.db2.gz KMEUTLBSMAGQIY-PMPSAXMXSA-N 1 0 245.341 3.524 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(F)cc1 ZINC000812794099 586585699 /nfs/dbraw/zinc/58/56/99/586585699.db2.gz QPQZBCUDYSZZJK-BLLLJJGKSA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(F)cc1 ZINC000812794100 586585713 /nfs/dbraw/zinc/58/57/13/586585713.db2.gz QPQZBCUDYSZZJK-LRDDRELGSA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(F)cc1 ZINC000812794101 586585903 /nfs/dbraw/zinc/58/59/03/586585903.db2.gz QPQZBCUDYSZZJK-MLGOLLRUSA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)C1CCCC1)c1ccc(F)cc1 ZINC000812794102 586585791 /nfs/dbraw/zinc/58/57/91/586585791.db2.gz QPQZBCUDYSZZJK-WBMJQRKESA-N 1 0 245.341 3.668 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)[C@H](C)CC=C)c1ccc(F)cc1 ZINC000812795460 586586076 /nfs/dbraw/zinc/58/60/76/586586076.db2.gz XSKQPXAYPURMNP-IOASZLSFSA-N 1 0 245.341 3.690 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)[C@H](C)CC=C)c1ccc(F)cc1 ZINC000812795461 582566397 /nfs/dbraw/zinc/56/63/97/582566397.db2.gz XSKQPXAYPURMNP-WWGRRREGSA-N 1 0 245.341 3.690 20 30 BHEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H](C)CC=C)c1ccc(F)cc1 ZINC000812795462 582566333 /nfs/dbraw/zinc/56/63/33/582566333.db2.gz XSKQPXAYPURMNP-XEZPLFJOSA-N 1 0 245.341 3.690 20 30 BHEDRO C#C[C@H]([NH2+][C@H](C)[C@@H](C)CC=C)c1ccc(F)cc1 ZINC000812795463 582566269 /nfs/dbraw/zinc/56/62/69/582566269.db2.gz XSKQPXAYPURMNP-ZENOOKHLSA-N 1 0 245.341 3.690 20 30 BHEDRO C#Cc1ccc(C[NH+](C2CCC2)C2CCC2)cc1 ZINC000814177685 586616082 /nfs/dbraw/zinc/61/60/82/586616082.db2.gz LVKZIFLBRQKFGA-UHFFFAOYSA-N 1 0 239.362 3.575 20 30 BHEDRO N#CCCC[C@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC000814660671 586627378 /nfs/dbraw/zinc/62/73/78/586627378.db2.gz YJARGCHVAPCJNS-APFBBLRHSA-N 1 0 248.757 3.764 20 30 BHEDRO N#CCCC[C@@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC000814660672 586627507 /nfs/dbraw/zinc/62/75/07/586627507.db2.gz YJARGCHVAPCJNS-LBIZBFCRSA-N 1 0 248.757 3.764 20 30 BHEDRO N#CCCC[C@@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC000814660673 586627907 /nfs/dbraw/zinc/62/79/07/586627907.db2.gz YJARGCHVAPCJNS-OAUONFCTSA-N 1 0 248.757 3.764 20 30 BHEDRO N#CCCC[C@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC000814660674 586627611 /nfs/dbraw/zinc/62/76/11/586627611.db2.gz YJARGCHVAPCJNS-XYYIANASSA-N 1 0 248.757 3.764 20 30 BHEDRO C#CCCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814668236 586627690 /nfs/dbraw/zinc/62/76/90/586627690.db2.gz MTBDMPUFCPKMIO-AWEZNQCLSA-N 1 0 247.769 3.543 20 30 BHEDRO C#CCCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814668237 586627718 /nfs/dbraw/zinc/62/77/18/586627718.db2.gz MTBDMPUFCPKMIO-CQSZACIVSA-N 1 0 247.769 3.543 20 30 BHEDRO CCCCCCCC[N@H+](C)CC(C)(C)C#N ZINC000814670119 586628551 /nfs/dbraw/zinc/62/85/51/586628551.db2.gz MPTNBUMCDCDTEW-UHFFFAOYSA-N 1 0 224.392 3.828 20 30 BHEDRO C(CC1CCCCC1)=[NH+]n1cnc2ccccc21 ZINC000814778963 586633647 /nfs/dbraw/zinc/63/36/47/586633647.db2.gz CVPMNISPQSUUIY-UHFFFAOYSA-N 1 0 241.338 3.841 20 30 BHEDRO CCC(=[NH+]OC1CCCCC1)c1cccc(N)c1 ZINC000814910588 586649144 /nfs/dbraw/zinc/64/91/44/586649144.db2.gz XZWIXGFYTQEMAV-UHFFFAOYSA-N 1 0 246.354 3.732 20 30 BHEDRO C=CC[N@H+](Cc1ccc(C(C)C)nc1C)C(C)C ZINC000815021860 586664727 /nfs/dbraw/zinc/66/47/27/586664727.db2.gz UZWTWAMLIVGCDP-UHFFFAOYSA-N 1 0 246.398 3.910 20 30 BHEDRO CCCCCCCC[NH2+]Cc1conc1CC ZINC000815114040 586667384 /nfs/dbraw/zinc/66/73/84/586667384.db2.gz MXMRUCLEUWMDJK-UHFFFAOYSA-N 1 0 238.375 3.687 20 30 BHEDRO C#CCCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000815130250 586668957 /nfs/dbraw/zinc/66/89/57/586668957.db2.gz YLQMNZGNIKYNPX-UHFFFAOYSA-N 1 0 241.378 3.847 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1conc1C ZINC000815140725 586669699 /nfs/dbraw/zinc/66/96/99/586669699.db2.gz HLIMWAFQDPCGQB-UHFFFAOYSA-N 1 0 236.359 3.599 20 30 BHEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000815142607 586669261 /nfs/dbraw/zinc/66/92/61/586669261.db2.gz WKCWXGZMJWOPDS-UHFFFAOYSA-N 1 0 247.382 3.701 20 30 BHEDRO CCCCCCC[N@H+](C)Cc1conc1CC ZINC000815170077 586672207 /nfs/dbraw/zinc/67/22/07/586672207.db2.gz LYHARDWVGBOVSU-UHFFFAOYSA-N 1 0 238.375 3.639 20 30 BHEDRO C#CCCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000815584547 586688053 /nfs/dbraw/zinc/68/80/53/586688053.db2.gz HVONZKXSDYSCKM-CYBMUJFWSA-N 1 0 227.351 3.628 20 30 BHEDRO C#CCCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000815584548 586688244 /nfs/dbraw/zinc/68/82/44/586688244.db2.gz HVONZKXSDYSCKM-ZDUSSCGKSA-N 1 0 227.351 3.628 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815596142 586688901 /nfs/dbraw/zinc/68/89/01/586688901.db2.gz LWMJDPZGANNCPP-CYBMUJFWSA-N 1 0 233.330 3.588 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815596143 586688914 /nfs/dbraw/zinc/68/89/14/586688914.db2.gz LWMJDPZGANNCPP-ZDUSSCGKSA-N 1 0 233.330 3.588 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000815625722 586689477 /nfs/dbraw/zinc/68/94/77/586689477.db2.gz KWBKMFHYDABDTN-CABCVRRESA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000815625723 586689086 /nfs/dbraw/zinc/68/90/86/586689086.db2.gz KWBKMFHYDABDTN-GJZGRUSLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000815625724 586688066 /nfs/dbraw/zinc/68/80/66/586688066.db2.gz KWBKMFHYDABDTN-HUUCEWRRSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000815625725 586688408 /nfs/dbraw/zinc/68/84/08/586688408.db2.gz KWBKMFHYDABDTN-LSDHHAIUSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H]1CCOC1(C)C ZINC000815628163 586689372 /nfs/dbraw/zinc/68/93/72/586689372.db2.gz SIUYURZMCNLVEE-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H]1CCOC1(C)C ZINC000815628164 586689280 /nfs/dbraw/zinc/68/92/80/586689280.db2.gz SIUYURZMCNLVEE-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C[C@@H]1CC[C@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000815635584 586689848 /nfs/dbraw/zinc/68/98/48/586689848.db2.gz GCDUAOCTQUREDO-BMFZPTHFSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]1CC[C@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000815635585 586689738 /nfs/dbraw/zinc/68/97/38/586689738.db2.gz GCDUAOCTQUREDO-FVQBIDKESA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000815635586 586689657 /nfs/dbraw/zinc/68/96/57/586689657.db2.gz GCDUAOCTQUREDO-KBMXLJTQSA-N 1 0 242.366 3.810 20 30 BHEDRO C[C@@H]1CC[C@@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000815635587 586689587 /nfs/dbraw/zinc/68/95/87/586689587.db2.gz GCDUAOCTQUREDO-VNQPRFMTSA-N 1 0 242.366 3.810 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650312 586690040 /nfs/dbraw/zinc/69/00/40/586690040.db2.gz OFFUGTPXHJRPLQ-SECBINFHSA-N 1 0 243.272 3.548 20 30 BHEDRO C=CCC[C@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650313 586690220 /nfs/dbraw/zinc/69/02/20/586690220.db2.gz OFFUGTPXHJRPLQ-VIFPVBQESA-N 1 0 243.272 3.548 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](CC)C(C)(C)O ZINC000815652289 586690033 /nfs/dbraw/zinc/69/00/33/586690033.db2.gz WMDGMBAGBVUXBO-KBPBESRZSA-N 1 0 241.419 3.651 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](CC)C(C)(C)O ZINC000815652290 586690218 /nfs/dbraw/zinc/69/02/18/586690218.db2.gz WMDGMBAGBVUXBO-KGLIPLIRSA-N 1 0 241.419 3.651 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](CC)C(C)(C)O ZINC000815652291 586690117 /nfs/dbraw/zinc/69/01/17/586690117.db2.gz WMDGMBAGBVUXBO-UONOGXRCSA-N 1 0 241.419 3.651 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](CC)C(C)(C)O ZINC000815652292 586690824 /nfs/dbraw/zinc/69/08/24/586690824.db2.gz WMDGMBAGBVUXBO-ZIAGYGMSSA-N 1 0 241.419 3.651 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816550372 586739737 /nfs/dbraw/zinc/73/97/37/586739737.db2.gz PEQZDIPLVRHKLQ-GFCCVEGCSA-N 1 0 241.334 3.600 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816550373 586740080 /nfs/dbraw/zinc/74/00/80/586740080.db2.gz PEQZDIPLVRHKLQ-LBPRGKRZSA-N 1 0 241.334 3.600 20 30 BHEDRO C=CC[C@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccncc1 ZINC000816551703 586740595 /nfs/dbraw/zinc/74/05/95/586740595.db2.gz LXQGVZZCKFNMTN-CVEARBPZSA-N 1 0 242.366 3.787 20 30 BHEDRO C=CC[C@H]([NH2+][C@H]1CC=C(C)CC1)c1ccncc1 ZINC000816551704 586740502 /nfs/dbraw/zinc/74/05/02/586740502.db2.gz LXQGVZZCKFNMTN-HOTGVXAUSA-N 1 0 242.366 3.787 20 30 BHEDRO C=CC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccncc1 ZINC000816551705 586740441 /nfs/dbraw/zinc/74/04/41/586740441.db2.gz LXQGVZZCKFNMTN-HZPDHXFCSA-N 1 0 242.366 3.787 20 30 BHEDRO C=CC[C@@H]([NH2+][C@H]1CC=C(C)CC1)c1ccncc1 ZINC000816551706 586740597 /nfs/dbraw/zinc/74/05/97/586740597.db2.gz LXQGVZZCKFNMTN-JKSUJKDBSA-N 1 0 242.366 3.787 20 30 BHEDRO C=C(C)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816564970 586741189 /nfs/dbraw/zinc/74/11/89/586741189.db2.gz XBZCGFSYIAOXRO-UHFFFAOYSA-N 1 0 241.334 3.553 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816588417 586743317 /nfs/dbraw/zinc/74/33/17/586743317.db2.gz NUNDBUKGFFWNFX-UHFFFAOYSA-N 1 0 241.334 3.553 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816594613 586743247 /nfs/dbraw/zinc/74/32/47/586743247.db2.gz KFJIONIUTGRQED-UHFFFAOYSA-N 1 0 241.334 3.601 20 30 BHEDRO C#C[C@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccc(F)cc1 ZINC000816616839 586744622 /nfs/dbraw/zinc/74/46/22/586744622.db2.gz HRVPJENKKYMPNS-CVEARBPZSA-N 1 0 243.325 3.588 20 30 BHEDRO C#C[C@H]([NH2+][C@H]1CC=C(C)CC1)c1ccc(F)cc1 ZINC000816616840 586744459 /nfs/dbraw/zinc/74/44/59/586744459.db2.gz HRVPJENKKYMPNS-HOTGVXAUSA-N 1 0 243.325 3.588 20 30 BHEDRO C#C[C@@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccc(F)cc1 ZINC000816616841 586744574 /nfs/dbraw/zinc/74/45/74/586744574.db2.gz HRVPJENKKYMPNS-HZPDHXFCSA-N 1 0 243.325 3.588 20 30 BHEDRO C#C[C@@H]([NH2+][C@H]1CC=C(C)CC1)c1ccc(F)cc1 ZINC000816616842 586744724 /nfs/dbraw/zinc/74/47/24/586744724.db2.gz HRVPJENKKYMPNS-JKSUJKDBSA-N 1 0 243.325 3.588 20 30 BHEDRO C#Cc1ccc(C[NH2+]C(C)(C)C(C)(C)C)cc1 ZINC000816625188 586745686 /nfs/dbraw/zinc/74/56/86/586745686.db2.gz VVAWLOQPNVGSOT-UHFFFAOYSA-N 1 0 229.367 3.582 20 30 BHEDRO C#CCC[N@@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000817288284 586793460 /nfs/dbraw/zinc/79/34/60/586793460.db2.gz WVCFFLMVTBIXBU-GFCCVEGCSA-N 1 0 221.369 3.543 20 30 BHEDRO C#CCC[N@@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000817288301 586792599 /nfs/dbraw/zinc/79/25/99/586792599.db2.gz WVCFFLMVTBIXBU-LBPRGKRZSA-N 1 0 221.369 3.543 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)c1cnccc1N ZINC000817914540 586839532 /nfs/dbraw/zinc/83/95/32/586839532.db2.gz ZNQSJWSWNKGVEK-CYBMUJFWSA-N 1 0 249.402 3.505 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)c1cnccc1N ZINC000817914541 586839848 /nfs/dbraw/zinc/83/98/48/586839848.db2.gz ZNQSJWSWNKGVEK-ZDUSSCGKSA-N 1 0 249.402 3.505 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CCc1ccc(N)cc1 ZINC000817955796 586850018 /nfs/dbraw/zinc/85/00/18/586850018.db2.gz HZQATBUMNPNDOO-INIZCTEOSA-N 1 0 246.398 3.536 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CCc1ccc(N)cc1 ZINC000817955797 586849980 /nfs/dbraw/zinc/84/99/80/586849980.db2.gz HZQATBUMNPNDOO-MRXNPFEDSA-N 1 0 246.398 3.536 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817958412 586850899 /nfs/dbraw/zinc/85/08/99/586850899.db2.gz VMFMOPCQDQDWDW-AWEZNQCLSA-N 1 0 246.398 3.536 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817958413 586850686 /nfs/dbraw/zinc/85/06/86/586850686.db2.gz VMFMOPCQDQDWDW-CQSZACIVSA-N 1 0 246.398 3.536 20 30 BHEDRO CCCCCC(C)=[NH+]n1cnc2ccccc21 ZINC000818268559 586882950 /nfs/dbraw/zinc/88/29/50/586882950.db2.gz LGTQQRGJQHTPES-UHFFFAOYSA-N 1 0 229.327 3.841 20 30 BHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCCCCC ZINC000818346208 586887251 /nfs/dbraw/zinc/88/72/51/586887251.db2.gz ASLRGONSXQZARI-ILXRZTDVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCCCCC ZINC000818346209 586887726 /nfs/dbraw/zinc/88/77/26/586887726.db2.gz ASLRGONSXQZARI-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC12CC2 ZINC000818355350 586888536 /nfs/dbraw/zinc/88/85/36/586888536.db2.gz DCUCIQFTXMOBGL-CHWSQXEVSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CC12CC2 ZINC000818355351 586888315 /nfs/dbraw/zinc/88/83/15/586888315.db2.gz DCUCIQFTXMOBGL-OLZOCXBDSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC12CC2 ZINC000818355352 586888025 /nfs/dbraw/zinc/88/80/25/586888025.db2.gz DCUCIQFTXMOBGL-QWHCGFSZSA-N 1 0 207.361 3.654 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC12CC2 ZINC000818355353 586887950 /nfs/dbraw/zinc/88/79/50/586887950.db2.gz DCUCIQFTXMOBGL-STQMWFEESA-N 1 0 207.361 3.654 20 30 BHEDRO CCCCCC[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818355821 586888004 /nfs/dbraw/zinc/88/80/04/586888004.db2.gz JCOTUCOIJZZIRU-HZSPNIEDSA-N 1 0 222.376 3.627 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818356994 584995983 /nfs/dbraw/zinc/99/59/83/584995983.db2.gz UHXXVEHZBLKTCM-QLFBSQMISA-N 1 0 234.387 3.793 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818356998 584995926 /nfs/dbraw/zinc/99/59/26/584995926.db2.gz UHXXVEHZBLKTCM-SOUVJXGZSA-N 1 0 234.387 3.793 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CC[C@H]1SC ZINC000822480958 587171209 /nfs/dbraw/zinc/17/12/09/587171209.db2.gz HOOJMNXJTPDLGL-CHWSQXEVSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000822480959 587170869 /nfs/dbraw/zinc/17/08/69/587170869.db2.gz HOOJMNXJTPDLGL-OLZOCXBDSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CC[C@H]1SC ZINC000822480960 587170989 /nfs/dbraw/zinc/17/09/89/587170989.db2.gz HOOJMNXJTPDLGL-QWHCGFSZSA-N 1 0 227.417 3.607 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CC[C@@H]1SC ZINC000822480961 587170874 /nfs/dbraw/zinc/17/08/74/587170874.db2.gz HOOJMNXJTPDLGL-STQMWFEESA-N 1 0 227.417 3.607 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000822977194 587196361 /nfs/dbraw/zinc/19/63/61/587196361.db2.gz QAZLNJPJIFLMJY-GHMZBOCLSA-N 1 0 248.197 3.611 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000822977196 587196144 /nfs/dbraw/zinc/19/61/44/587196144.db2.gz QAZLNJPJIFLMJY-MNOVXSKESA-N 1 0 248.197 3.611 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000822977198 587196376 /nfs/dbraw/zinc/19/63/76/587196376.db2.gz QAZLNJPJIFLMJY-QWRGUYRKSA-N 1 0 248.197 3.611 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000822977200 587196162 /nfs/dbraw/zinc/19/61/62/587196162.db2.gz QAZLNJPJIFLMJY-WDEREUQCSA-N 1 0 248.197 3.611 20 30 BHEDRO Cc1cccc(CN(CCC#N)CC(C)C)c1F ZINC000823382717 587218734 /nfs/dbraw/zinc/21/87/34/587218734.db2.gz OLTLTFDPUGLXJV-UHFFFAOYSA-N 1 0 248.345 3.506 20 30 BHEDRO CCCCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000823584211 587232160 /nfs/dbraw/zinc/23/21/60/587232160.db2.gz FXKYWQXKJMOJIT-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCC[NH2+]C1CCC(COC)CC1 ZINC000823602114 712591625 /nfs/dbraw/zinc/59/16/25/712591625.db2.gz IYVSJWDHMANUOD-UHFFFAOYSA-N 1 0 241.419 3.752 20 30 BHEDRO CCCCCCCC[NH2+]Cc1ccncc1F ZINC000823602666 712591562 /nfs/dbraw/zinc/59/15/62/712591562.db2.gz QEMBAROGBRHOCM-UHFFFAOYSA-N 1 0 238.350 3.671 20 30 BHEDRO CCCCCCC[NH2+]Cc1cc2cccnc2o1 ZINC000823602988 712591607 /nfs/dbraw/zinc/59/16/07/712591607.db2.gz XWQJRVQBSDSGAH-UHFFFAOYSA-N 1 0 246.354 3.888 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC(=C)Br ZINC000823818449 587241694 /nfs/dbraw/zinc/24/16/94/587241694.db2.gz ASYSRBZYBRLBSK-LLVKDONJSA-N 1 0 246.192 3.620 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC(=C)Br ZINC000823818450 587241766 /nfs/dbraw/zinc/24/17/66/587241766.db2.gz ASYSRBZYBRLBSK-NSHDSACASA-N 1 0 246.192 3.620 20 30 BHEDRO C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC000823876691 587245275 /nfs/dbraw/zinc/24/52/75/587245275.db2.gz RMAIIDVULCXMJY-DNOWBOINSA-N 1 0 236.403 3.731 20 30 BHEDRO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC000823876709 587245212 /nfs/dbraw/zinc/24/52/12/587245212.db2.gz RMAIIDVULCXMJY-OPFPJEHXSA-N 1 0 236.403 3.731 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)CCCCC=C ZINC000823990322 645053075 /nfs/dbraw/zinc/05/30/75/645053075.db2.gz LLOVOESSUDXEPG-AWEZNQCLSA-N 1 0 207.361 3.514 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)CCCCC=C ZINC000823990324 645052780 /nfs/dbraw/zinc/05/27/80/645052780.db2.gz LLOVOESSUDXEPG-CQSZACIVSA-N 1 0 207.361 3.514 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000824050841 587251838 /nfs/dbraw/zinc/25/18/38/587251838.db2.gz MDQAOJXEJGKBOY-CHWSQXEVSA-N 1 0 220.360 3.800 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000824050842 587251994 /nfs/dbraw/zinc/25/19/94/587251994.db2.gz MDQAOJXEJGKBOY-OLZOCXBDSA-N 1 0 220.360 3.800 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000824050843 587251777 /nfs/dbraw/zinc/25/17/77/587251777.db2.gz MDQAOJXEJGKBOY-QWHCGFSZSA-N 1 0 220.360 3.800 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000824050844 587251630 /nfs/dbraw/zinc/25/16/30/587251630.db2.gz MDQAOJXEJGKBOY-STQMWFEESA-N 1 0 220.360 3.800 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000824098280 587255324 /nfs/dbraw/zinc/25/53/24/587255324.db2.gz KCXJOMACJHXSLV-LLVKDONJSA-N 1 0 249.741 3.706 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000824098283 587255197 /nfs/dbraw/zinc/25/51/97/587255197.db2.gz KCXJOMACJHXSLV-NSHDSACASA-N 1 0 249.741 3.706 20 30 BHEDRO C#C[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000824363411 587267801 /nfs/dbraw/zinc/26/78/01/587267801.db2.gz DPOPSIPDGKYSPK-CORIIIEPSA-N 1 0 247.769 3.587 20 30 BHEDRO C#C[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000824363412 587267657 /nfs/dbraw/zinc/26/76/57/587267657.db2.gz DPOPSIPDGKYSPK-LNSITVRQSA-N 1 0 247.769 3.587 20 30 BHEDRO C#C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000824363413 587267498 /nfs/dbraw/zinc/26/74/98/587267498.db2.gz DPOPSIPDGKYSPK-NJZAAPMLSA-N 1 0 247.769 3.587 20 30 BHEDRO C#C[C@H](C)[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000824363439 587267847 /nfs/dbraw/zinc/26/78/47/587267847.db2.gz DPOPSIPDGKYSPK-WHOFXGATSA-N 1 0 247.769 3.587 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000824525671 587273172 /nfs/dbraw/zinc/27/31/72/587273172.db2.gz CCXOOXBJWHMFLN-KBPBESRZSA-N 1 0 249.402 3.667 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000824525673 587273158 /nfs/dbraw/zinc/27/31/58/587273158.db2.gz CCXOOXBJWHMFLN-KGLIPLIRSA-N 1 0 249.402 3.667 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000824525675 587273435 /nfs/dbraw/zinc/27/34/35/587273435.db2.gz CCXOOXBJWHMFLN-UONOGXRCSA-N 1 0 249.402 3.667 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000824525677 587273311 /nfs/dbraw/zinc/27/33/11/587273311.db2.gz CCXOOXBJWHMFLN-ZIAGYGMSSA-N 1 0 249.402 3.667 20 30 BHEDRO CCCCCCC[C@@H](C)[NH2+]C(CF)CF ZINC000824554615 587275702 /nfs/dbraw/zinc/27/57/02/587275702.db2.gz INHTUUUSAGKIPC-LLVKDONJSA-N 1 0 221.335 3.633 20 30 BHEDRO CCCCCCC[C@H](C)[NH2+]C(CF)CF ZINC000824554616 587275787 /nfs/dbraw/zinc/27/57/87/587275787.db2.gz INHTUUUSAGKIPC-NSHDSACASA-N 1 0 221.335 3.633 20 30 BHEDRO C=CCN(Cc1ccc(F)c(F)c1F)C(C)C ZINC000824580531 587277781 /nfs/dbraw/zinc/27/77/81/587277781.db2.gz HCLUFQBLULIOAR-UHFFFAOYSA-N 1 0 243.272 3.500 20 30 BHEDRO C=CC[N@H+](Cc1cc2ccncc2s1)C(C)C ZINC000824582257 587278230 /nfs/dbraw/zinc/27/82/30/587278230.db2.gz ZYUDLCPKSXGLNN-UHFFFAOYSA-N 1 0 246.379 3.693 20 30 BHEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000824683235 587282344 /nfs/dbraw/zinc/28/23/44/587282344.db2.gz ARSDZKUWJSWGNV-ZFWWWQNUSA-N 1 0 234.387 3.771 20 30 BHEDRO CCCCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000824690793 587282769 /nfs/dbraw/zinc/28/27/69/587282769.db2.gz MBMKKMGJECPRCZ-RDBSUJKOSA-N 1 0 222.376 3.627 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000824703250 587283201 /nfs/dbraw/zinc/28/32/01/587283201.db2.gz YRZZKDUXCKCIOA-KBPBESRZSA-N 1 0 241.419 3.651 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000824703254 587283370 /nfs/dbraw/zinc/28/33/70/587283370.db2.gz YRZZKDUXCKCIOA-KGLIPLIRSA-N 1 0 241.419 3.651 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000824703256 587283229 /nfs/dbraw/zinc/28/32/29/587283229.db2.gz YRZZKDUXCKCIOA-UONOGXRCSA-N 1 0 241.419 3.651 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000824703258 587282936 /nfs/dbraw/zinc/28/29/36/587282936.db2.gz YRZZKDUXCKCIOA-ZIAGYGMSSA-N 1 0 241.419 3.651 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000824750481 587285556 /nfs/dbraw/zinc/28/55/56/587285556.db2.gz KZVGXSBPPWDDOZ-UHFFFAOYSA-N 1 0 241.334 3.601 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824773736 587286907 /nfs/dbraw/zinc/28/69/07/587286907.db2.gz NIIIDYAJTXIDSE-NXEZZACHSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824773737 587286787 /nfs/dbraw/zinc/28/67/87/587286787.db2.gz NIIIDYAJTXIDSE-UWVGGRQHSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824773738 587286915 /nfs/dbraw/zinc/28/69/15/587286915.db2.gz NIIIDYAJTXIDSE-VHSXEESVSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824773739 587286838 /nfs/dbraw/zinc/28/68/38/587286838.db2.gz NIIIDYAJTXIDSE-ZJUUUORDSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)CSC(C)(C)C ZINC000824789701 587287796 /nfs/dbraw/zinc/28/77/96/587287796.db2.gz FOKKYVHUHGSDEE-LLVKDONJSA-N 1 0 229.433 3.708 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000824789704 587287647 /nfs/dbraw/zinc/28/76/47/587287647.db2.gz FOKKYVHUHGSDEE-NSHDSACASA-N 1 0 229.433 3.708 20 30 BHEDRO CC(C)(CCC#N)C[NH+]1CCCCCCCC1 ZINC000824982888 587296997 /nfs/dbraw/zinc/29/69/97/587296997.db2.gz MQXFPJCOULAKPV-UHFFFAOYSA-N 1 0 236.403 3.973 20 30 BHEDRO C=CCC1([NH2+]Cc2ccoc2)CCCCC1 ZINC000825024229 587298920 /nfs/dbraw/zinc/29/89/20/587298920.db2.gz LYQRBEOZBXHJMJ-UHFFFAOYSA-N 1 0 219.328 3.648 20 30 BHEDRO C=CCC1([NH2+]C[C@@H]2CCC=CO2)CCCCC1 ZINC000825024272 587299157 /nfs/dbraw/zinc/29/91/57/587299157.db2.gz NEZCWGOOOUYQPL-AWEZNQCLSA-N 1 0 235.371 3.548 20 30 BHEDRO C=CCC1([NH2+]C[C@H]2CCC=CO2)CCCCC1 ZINC000825024273 587299112 /nfs/dbraw/zinc/29/91/12/587299112.db2.gz NEZCWGOOOUYQPL-CQSZACIVSA-N 1 0 235.371 3.548 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(F)nc2)CCCCC1 ZINC000825024504 587298852 /nfs/dbraw/zinc/29/88/52/587298852.db2.gz QCVUOFWABBBRBW-UHFFFAOYSA-N 1 0 248.345 3.589 20 30 BHEDRO C=CCC1([NH2+]Cc2ccccc2O)CCCCC1 ZINC000825024547 587299224 /nfs/dbraw/zinc/29/92/24/587299224.db2.gz QQCNXNOPYOFCPI-UHFFFAOYSA-N 1 0 245.366 3.761 20 30 BHEDRO C=CCC1(C[NH2+]C2CC(C(F)F)C2)CCCC1 ZINC000825078933 587302954 /nfs/dbraw/zinc/30/29/54/587302954.db2.gz GBGYDWQTZQCVTH-UHFFFAOYSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC1(CC)COC1 ZINC000825079121 587302817 /nfs/dbraw/zinc/30/28/17/587302817.db2.gz MBLGGIBAGCYYQS-AWEZNQCLSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(CC)COC1 ZINC000825079123 587302797 /nfs/dbraw/zinc/30/27/97/587302797.db2.gz MBLGGIBAGCYYQS-CQSZACIVSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC1(C[NH2+]Cc2ccccc2O)CCCC1 ZINC000825079448 587303363 /nfs/dbraw/zinc/30/33/63/587303363.db2.gz ULRPLTQITIXOJD-UHFFFAOYSA-N 1 0 245.366 3.618 20 30 BHEDRO C=CCC1(C[NH2+]Cc2ccoc2)CCCC1 ZINC000825079678 587303223 /nfs/dbraw/zinc/30/32/23/587303223.db2.gz ZWDQWQGOGUQDGC-UHFFFAOYSA-N 1 0 219.328 3.506 20 30 BHEDRO C=C(CC)C[NH2+]Cc1ccc2ccccc2c1O ZINC000825221661 587309967 /nfs/dbraw/zinc/30/99/67/587309967.db2.gz VLZQDWLKVFMUFT-UHFFFAOYSA-N 1 0 241.334 3.601 20 30 BHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000826796535 587362577 /nfs/dbraw/zinc/36/25/77/587362577.db2.gz KCBLPPDUIJXRLQ-IKWCTNDRSA-N 1 0 243.341 3.755 20 30 BHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000826796536 587362585 /nfs/dbraw/zinc/36/25/85/587362585.db2.gz KCBLPPDUIJXRLQ-WTIISPKJSA-N 1 0 243.341 3.755 20 30 BHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000826796537 587362685 /nfs/dbraw/zinc/36/26/85/587362685.db2.gz KCBLPPDUIJXRLQ-XVSSEFHLSA-N 1 0 243.341 3.755 20 30 BHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000826796538 587362514 /nfs/dbraw/zinc/36/25/14/587362514.db2.gz KCBLPPDUIJXRLQ-YWPUVAFDSA-N 1 0 243.341 3.755 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2cc(C)on2)CCCC1 ZINC000826882798 645069571 /nfs/dbraw/zinc/06/95/71/645069571.db2.gz PPGHLKSNJQPBPX-UHFFFAOYSA-N 1 0 248.370 3.599 20 30 BHEDRO C=CCC1([NH2+][C@H](C)CC(C)(C)C)CCOCC1 ZINC000827146009 587371055 /nfs/dbraw/zinc/37/10/55/587371055.db2.gz AVOCUCMACBVFLN-CYBMUJFWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC1([NH2+][C@@H](C)CC(C)(C)C)CCOCC1 ZINC000827146010 587371095 /nfs/dbraw/zinc/37/10/95/587371095.db2.gz AVOCUCMACBVFLN-ZDUSSCGKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC1([NH2+][C@@H](C)CCCCC)CCOCC1 ZINC000827146968 584897162 /nfs/dbraw/zinc/89/71/62/584897162.db2.gz LYTHDIPLQRGXLD-AWEZNQCLSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CCC1([NH2+][C@H](C)CCCCC)CCOCC1 ZINC000827147056 584897131 /nfs/dbraw/zinc/89/71/31/584897131.db2.gz LYTHDIPLQRGXLD-CQSZACIVSA-N 1 0 239.403 3.670 20 30 BHEDRO C=CC[N@@H+](CCCC(=O)c1ccccc1)C(C)C ZINC000827438287 587381414 /nfs/dbraw/zinc/38/14/14/587381414.db2.gz NZIRGRIBGZMCQR-UHFFFAOYSA-N 1 0 245.366 3.546 20 30 BHEDRO CC(C)c1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000827650503 645082437 /nfs/dbraw/zinc/08/24/37/645082437.db2.gz QXUSLLOAZLFJBX-INIZCTEOSA-N 1 0 242.366 3.546 20 30 BHEDRO CC(C)c1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000827650515 645083340 /nfs/dbraw/zinc/08/33/40/645083340.db2.gz QXUSLLOAZLFJBX-MRXNPFEDSA-N 1 0 242.366 3.546 20 30 BHEDRO C=CCCC(C)(C)[NH2+]CCCc1cnccc1C ZINC000827818136 587404074 /nfs/dbraw/zinc/40/40/74/587404074.db2.gz MWWKHPRDYALBEF-UHFFFAOYSA-N 1 0 246.398 3.657 20 30 BHEDRO C=CCCCC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000827991107 587415400 /nfs/dbraw/zinc/41/54/00/587415400.db2.gz MFHLEQJSCLZBKO-UHFFFAOYSA-N 1 0 238.762 3.523 20 30 BHEDRO Cc1ccc(C)c([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000828095485 587419517 /nfs/dbraw/zinc/41/95/17/587419517.db2.gz PMPHDNNAJVCDRI-AWEZNQCLSA-N 1 0 242.366 3.648 20 30 BHEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000828095486 587419190 /nfs/dbraw/zinc/41/91/90/587419190.db2.gz PMPHDNNAJVCDRI-CQSZACIVSA-N 1 0 242.366 3.648 20 30 BHEDRO C=CCCCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000828692721 587457250 /nfs/dbraw/zinc/45/72/50/587457250.db2.gz KXAOUCOBWDUJOY-HNNXBMFYSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CCCCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000828692722 587457521 /nfs/dbraw/zinc/45/75/21/587457521.db2.gz KXAOUCOBWDUJOY-OAHLLOKOSA-N 1 0 232.371 3.725 20 30 BHEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)C1CCCCC1 ZINC000828721547 587458764 /nfs/dbraw/zinc/45/87/64/587458764.db2.gz CLQFVGYZDRHTHH-AWEZNQCLSA-N 1 0 234.387 3.629 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)C1CCCCC1 ZINC000828721548 587458721 /nfs/dbraw/zinc/45/87/21/587458721.db2.gz CLQFVGYZDRHTHH-CQSZACIVSA-N 1 0 234.387 3.629 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000829312559 587492390 /nfs/dbraw/zinc/49/23/90/587492390.db2.gz CLTXCMBJGQNGLT-GHMZBOCLSA-N 1 0 248.197 3.611 20 30 BHEDRO C=C[C@@H]1CCCC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000829312561 587492452 /nfs/dbraw/zinc/49/24/52/587492452.db2.gz CLTXCMBJGQNGLT-MNOVXSKESA-N 1 0 248.197 3.611 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000829312562 587492182 /nfs/dbraw/zinc/49/21/82/587492182.db2.gz CLTXCMBJGQNGLT-QWRGUYRKSA-N 1 0 248.197 3.611 20 30 BHEDRO C=C[C@H]1CCCC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000829312564 587492397 /nfs/dbraw/zinc/49/23/97/587492397.db2.gz CLTXCMBJGQNGLT-WDEREUQCSA-N 1 0 248.197 3.611 20 30 BHEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000829774897 587515360 /nfs/dbraw/zinc/51/53/60/587515360.db2.gz WAXZAGMPHJUAKS-KBPBESRZSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000829774899 587514980 /nfs/dbraw/zinc/51/49/80/587514980.db2.gz WAXZAGMPHJUAKS-KGLIPLIRSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000829774900 587514871 /nfs/dbraw/zinc/51/48/71/587514871.db2.gz WAXZAGMPHJUAKS-UONOGXRCSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000829774902 587515161 /nfs/dbraw/zinc/51/51/61/587515161.db2.gz WAXZAGMPHJUAKS-ZIAGYGMSSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000829779152 587515592 /nfs/dbraw/zinc/51/55/92/587515592.db2.gz OOIIHVFJYGJDSN-KBPBESRZSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000829779153 587515666 /nfs/dbraw/zinc/51/56/66/587515666.db2.gz OOIIHVFJYGJDSN-KGLIPLIRSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000829779154 587515487 /nfs/dbraw/zinc/51/54/87/587515487.db2.gz OOIIHVFJYGJDSN-UONOGXRCSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000829779155 587515877 /nfs/dbraw/zinc/51/58/77/587515877.db2.gz OOIIHVFJYGJDSN-ZIAGYGMSSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000829779345 587515913 /nfs/dbraw/zinc/51/59/13/587515913.db2.gz RAOKMWCEYIBCMY-KBPBESRZSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000829779346 587515757 /nfs/dbraw/zinc/51/57/57/587515757.db2.gz RAOKMWCEYIBCMY-KGLIPLIRSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000829779347 587515805 /nfs/dbraw/zinc/51/58/05/587515805.db2.gz RAOKMWCEYIBCMY-UONOGXRCSA-N 1 0 245.341 3.622 20 30 BHEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000829779348 587515585 /nfs/dbraw/zinc/51/55/85/587515585.db2.gz RAOKMWCEYIBCMY-ZIAGYGMSSA-N 1 0 245.341 3.622 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC)c1csc(C)c1 ZINC000830811321 587571494 /nfs/dbraw/zinc/57/14/94/587571494.db2.gz BGMLOSIAECXBRD-LLVKDONJSA-N 1 0 229.776 3.850 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC)c1csc(C)c1 ZINC000830811322 587571114 /nfs/dbraw/zinc/57/11/14/587571114.db2.gz BGMLOSIAECXBRD-NSHDSACASA-N 1 0 229.776 3.850 20 30 BHEDRO C#CCCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000830827508 587572434 /nfs/dbraw/zinc/57/24/34/587572434.db2.gz NJOLWOSCOIDYPE-RYUDHWBXSA-N 1 0 247.304 3.501 20 30 BHEDRO C=C(Cl)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000832226027 587651534 /nfs/dbraw/zinc/65/15/34/587651534.db2.gz SDMCXSRPWOWJFB-GFCCVEGCSA-N 1 0 237.730 3.559 20 30 BHEDRO C=C(Cl)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832226028 587651643 /nfs/dbraw/zinc/65/16/43/587651643.db2.gz SDMCXSRPWOWJFB-LBPRGKRZSA-N 1 0 237.730 3.559 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832517886 587664534 /nfs/dbraw/zinc/66/45/34/587664534.db2.gz RCKPNHWRFOTUAN-HNNXBMFYSA-N 1 0 249.304 3.515 20 30 BHEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832517887 587664692 /nfs/dbraw/zinc/66/46/92/587664692.db2.gz RCKPNHWRFOTUAN-OAHLLOKOSA-N 1 0 249.304 3.515 20 30 BHEDRO CCCCCCCCC[NH2+][C@H]1CCn2ccnc21 ZINC000834496342 587757490 /nfs/dbraw/zinc/75/74/90/587757490.db2.gz DWVBTLWJTPEJOH-AWEZNQCLSA-N 1 0 249.402 3.668 20 30 BHEDRO CCCCCCCCC[NH2+][C@@H]1CCn2ccnc21 ZINC000834496343 587757472 /nfs/dbraw/zinc/75/74/72/587757472.db2.gz DWVBTLWJTPEJOH-CQSZACIVSA-N 1 0 249.402 3.668 20 30 BHEDRO C#CCCC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000834607044 587760635 /nfs/dbraw/zinc/76/06/35/587760635.db2.gz OIDIIBKDCQQVKC-AAEUAGOBSA-N 1 0 233.380 3.690 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000834607045 587760613 /nfs/dbraw/zinc/76/06/13/587760613.db2.gz OIDIIBKDCQQVKC-DGCLKSJQSA-N 1 0 233.380 3.690 20 30 BHEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000834607046 587760520 /nfs/dbraw/zinc/76/05/20/587760520.db2.gz OIDIIBKDCQQVKC-WCQYABFASA-N 1 0 233.380 3.690 20 30 BHEDRO C#CCCC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000834607047 587760525 /nfs/dbraw/zinc/76/05/25/587760525.db2.gz OIDIIBKDCQQVKC-YPMHNXCESA-N 1 0 233.380 3.690 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)c1nccn1CC ZINC000834702538 587764810 /nfs/dbraw/zinc/76/48/10/587764810.db2.gz QHXDYBWDIHVJGM-CYBMUJFWSA-N 1 0 237.391 3.524 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)c1nccn1CC ZINC000834702539 587764761 /nfs/dbraw/zinc/76/47/61/587764761.db2.gz QHXDYBWDIHVJGM-ZDUSSCGKSA-N 1 0 237.391 3.524 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1nccn1CC ZINC000834880286 587769434 /nfs/dbraw/zinc/76/94/34/587769434.db2.gz RXMOJJDGVABHNZ-AWEZNQCLSA-N 1 0 249.402 3.518 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1nccn1CC ZINC000834880287 587769314 /nfs/dbraw/zinc/76/93/14/587769314.db2.gz RXMOJJDGVABHNZ-CQSZACIVSA-N 1 0 249.402 3.518 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834881708 587769349 /nfs/dbraw/zinc/76/93/49/587769349.db2.gz DLSYAADADILXKZ-CYBMUJFWSA-N 1 0 233.355 3.626 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834881710 587769337 /nfs/dbraw/zinc/76/93/37/587769337.db2.gz DLSYAADADILXKZ-ZDUSSCGKSA-N 1 0 233.355 3.626 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834881924 587769346 /nfs/dbraw/zinc/76/93/46/587769346.db2.gz GJCHHQZTEAPGME-CMPLNLGQSA-N 1 0 249.329 3.635 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834881926 587769323 /nfs/dbraw/zinc/76/93/23/587769323.db2.gz GJCHHQZTEAPGME-JQWIXIFHSA-N 1 0 249.329 3.635 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834881928 587769352 /nfs/dbraw/zinc/76/93/52/587769352.db2.gz GJCHHQZTEAPGME-PWSUYJOCSA-N 1 0 249.329 3.635 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834881931 587769421 /nfs/dbraw/zinc/76/94/21/587769421.db2.gz GJCHHQZTEAPGME-ZYHUDNBSSA-N 1 0 249.329 3.635 20 30 BHEDRO C=C(C)CC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000834882200 587769330 /nfs/dbraw/zinc/76/93/30/587769330.db2.gz LDYYGTDINUAZEQ-HNNXBMFYSA-N 1 0 215.340 3.538 20 30 BHEDRO C=C(C)CC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000834882201 587769348 /nfs/dbraw/zinc/76/93/48/587769348.db2.gz LDYYGTDINUAZEQ-OAHLLOKOSA-N 1 0 215.340 3.538 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834882536 587769452 /nfs/dbraw/zinc/76/94/52/587769452.db2.gz RMCUUONEDMGNNT-JTQLQIEISA-N 1 0 239.746 3.662 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834882538 587769263 /nfs/dbraw/zinc/76/92/63/587769263.db2.gz RMCUUONEDMGNNT-SNVBAGLBSA-N 1 0 239.746 3.662 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000834882607 587769248 /nfs/dbraw/zinc/76/92/48/587769248.db2.gz MMZKCRICPNRFFV-AWEZNQCLSA-N 1 0 233.355 3.708 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000834882609 587769273 /nfs/dbraw/zinc/76/92/73/587769273.db2.gz MMZKCRICPNRFFV-CQSZACIVSA-N 1 0 233.355 3.708 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000834883016 587769409 /nfs/dbraw/zinc/76/94/09/587769409.db2.gz GNFUGSIRVCOVLE-JTQLQIEISA-N 1 0 238.762 3.598 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000834883018 587769240 /nfs/dbraw/zinc/76/92/40/587769240.db2.gz GNFUGSIRVCOVLE-SNVBAGLBSA-N 1 0 238.762 3.598 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000834883375 587769212 /nfs/dbraw/zinc/76/92/12/587769212.db2.gz QJZHBVSJEXKUFH-GFCCVEGCSA-N 1 0 221.319 3.751 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000834883380 587769440 /nfs/dbraw/zinc/76/94/40/587769440.db2.gz QJZHBVSJEXKUFH-LBPRGKRZSA-N 1 0 221.319 3.751 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000834883717 587769224 /nfs/dbraw/zinc/76/92/24/587769224.db2.gz PGDQCLUCQUHIDM-JTQLQIEISA-N 1 0 238.762 3.598 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000834883718 587769398 /nfs/dbraw/zinc/76/93/98/587769398.db2.gz PGDQCLUCQUHIDM-SNVBAGLBSA-N 1 0 238.762 3.598 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000834883954 587769241 /nfs/dbraw/zinc/76/92/41/587769241.db2.gz VHEGJAWVNBTZPI-CYBMUJFWSA-N 1 0 233.355 3.626 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000834883956 587769373 /nfs/dbraw/zinc/76/93/73/587769373.db2.gz VHEGJAWVNBTZPI-ZDUSSCGKSA-N 1 0 233.355 3.626 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000834884260 587769341 /nfs/dbraw/zinc/76/93/41/587769341.db2.gz XOCDZMJQJJDUQJ-CYBMUJFWSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000834884263 587769454 /nfs/dbraw/zinc/76/94/54/587769454.db2.gz XOCDZMJQJJDUQJ-ZDUSSCGKSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834884431 587769266 /nfs/dbraw/zinc/76/92/66/587769266.db2.gz ZHDXJOBFDHOSOA-CYBMUJFWSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834884433 587769389 /nfs/dbraw/zinc/76/93/89/587769389.db2.gz ZHDXJOBFDHOSOA-ZDUSSCGKSA-N 1 0 247.382 3.872 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000834884440 587769381 /nfs/dbraw/zinc/76/93/81/587769381.db2.gz ZJAWSVHBYOEVEG-JTQLQIEISA-N 1 0 238.762 3.598 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccnc1Cl ZINC000834884441 587769399 /nfs/dbraw/zinc/76/93/99/587769399.db2.gz ZJAWSVHBYOEVEG-SNVBAGLBSA-N 1 0 238.762 3.598 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834901600 587769906 /nfs/dbraw/zinc/76/99/06/587769906.db2.gz ADBIODIEQRMPFB-CMPLNLGQSA-N 1 0 249.329 3.635 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834901602 587769871 /nfs/dbraw/zinc/76/98/71/587769871.db2.gz ADBIODIEQRMPFB-JQWIXIFHSA-N 1 0 249.329 3.635 20 30 BHEDRO C=C(CC)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834901606 587769854 /nfs/dbraw/zinc/76/98/54/587769854.db2.gz ADBIODIEQRMPFB-PWSUYJOCSA-N 1 0 249.329 3.635 20 30 BHEDRO C=C(CC)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834901608 587769928 /nfs/dbraw/zinc/76/99/28/587769928.db2.gz ADBIODIEQRMPFB-ZYHUDNBSSA-N 1 0 249.329 3.635 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000834902549 587769805 /nfs/dbraw/zinc/76/98/05/587769805.db2.gz JAXJJQHESJBLQL-AWEZNQCLSA-N 1 0 233.355 3.708 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000834902550 587770132 /nfs/dbraw/zinc/77/01/32/587770132.db2.gz JAXJJQHESJBLQL-CQSZACIVSA-N 1 0 233.355 3.708 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834903011 587769950 /nfs/dbraw/zinc/76/99/50/587769950.db2.gz NIXHAIOAYNQWFP-CYBMUJFWSA-N 1 0 233.355 3.626 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834903012 587769799 /nfs/dbraw/zinc/76/97/99/587769799.db2.gz NIXHAIOAYNQWFP-ZDUSSCGKSA-N 1 0 233.355 3.626 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000834903032 587769842 /nfs/dbraw/zinc/76/98/42/587769842.db2.gz NXJQGCCLTWJPNN-CYBMUJFWSA-N 1 0 233.355 3.626 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000834903033 587769948 /nfs/dbraw/zinc/76/99/48/587769948.db2.gz NXJQGCCLTWJPNN-ZDUSSCGKSA-N 1 0 233.355 3.626 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834903469 587770067 /nfs/dbraw/zinc/77/00/67/587770067.db2.gz PQUOPDCSTHXGOU-JTQLQIEISA-N 1 0 239.746 3.662 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834903471 587769858 /nfs/dbraw/zinc/76/98/58/587769858.db2.gz PQUOPDCSTHXGOU-SNVBAGLBSA-N 1 0 239.746 3.662 20 30 BHEDRO Cc1c(Cl)cccc1N[NH2+]C=C1CC1(F)F ZINC000834940515 641742484 /nfs/dbraw/zinc/74/24/84/641742484.db2.gz HGEOAIMTSIJDJS-MRVPVSSYSA-N 1 0 244.672 3.701 20 30 BHEDRO Cc1c(Cl)cccc1N[NH2+]C=C1CC1(F)F ZINC000834940527 641742448 /nfs/dbraw/zinc/74/24/48/641742448.db2.gz HGEOAIMTSIJDJS-QMMMGPOBSA-N 1 0 244.672 3.701 20 30 BHEDRO CCc1cccc(C)c1N[NH2+]C=C1CC1(F)F ZINC000834976595 584916478 /nfs/dbraw/zinc/91/64/78/584916478.db2.gz MXMSPODTIOOUQE-LLVKDONJSA-N 1 0 238.281 3.610 20 30 BHEDRO CCc1cccc(C)c1N[NH2+]C=C1CC1(F)F ZINC000834976596 584916353 /nfs/dbraw/zinc/91/63/53/584916353.db2.gz MXMSPODTIOOUQE-NSHDSACASA-N 1 0 238.281 3.610 20 30 BHEDRO C#CC[C@H]([NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000838983571 585084463 /nfs/dbraw/zinc/08/44/63/585084463.db2.gz WKIJZFCTSZUKCH-INIZCTEOSA-N 1 0 239.362 3.673 20 30 BHEDRO C#CC[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000838983576 585084409 /nfs/dbraw/zinc/08/44/09/585084409.db2.gz WKIJZFCTSZUKCH-MRXNPFEDSA-N 1 0 239.362 3.673 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1cc(C)on1 ZINC000839109225 585091717 /nfs/dbraw/zinc/09/17/17/585091717.db2.gz SJHLNBBQVJKIDB-UHFFFAOYSA-N 1 0 236.359 3.599 20 30 BHEDRO C#CCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839127556 585093357 /nfs/dbraw/zinc/09/33/57/585093357.db2.gz UUWADDPZEQFXHE-INIZCTEOSA-N 1 0 239.362 3.627 20 30 BHEDRO C#CCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000839127558 585093340 /nfs/dbraw/zinc/09/33/40/585093340.db2.gz UUWADDPZEQFXHE-MRXNPFEDSA-N 1 0 239.362 3.627 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000839163419 585098116 /nfs/dbraw/zinc/09/81/16/585098116.db2.gz MBOCVDXTUNJBJK-QLFBSQMISA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000839163429 585098034 /nfs/dbraw/zinc/09/80/34/585098034.db2.gz MBOCVDXTUNJBJK-RBSFLKMASA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000839163431 585098299 /nfs/dbraw/zinc/09/82/99/585098299.db2.gz MBOCVDXTUNJBJK-RRFJBIMHSA-N 1 0 248.414 3.875 20 30 BHEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000839163432 585098271 /nfs/dbraw/zinc/09/82/71/585098271.db2.gz MBOCVDXTUNJBJK-SOUVJXGZSA-N 1 0 248.414 3.875 20 30 BHEDRO CCCCCC[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000839163502 585098074 /nfs/dbraw/zinc/09/80/74/585098074.db2.gz NLTYDMGLNVHFKC-CYBMUJFWSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCCC[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000839163503 585098204 /nfs/dbraw/zinc/09/82/04/585098204.db2.gz NLTYDMGLNVHFKC-ZDUSSCGKSA-N 1 0 224.392 3.875 20 30 BHEDRO CC(C)(CC#N)C[NH2+]C1CCCCCCC1 ZINC000839163518 585098045 /nfs/dbraw/zinc/09/80/45/585098045.db2.gz OCDYEJZEEDBTFQ-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC000839170601 585096282 /nfs/dbraw/zinc/09/62/82/585096282.db2.gz OUUOHEYGYWMECX-GFCCVEGCSA-N 1 0 236.359 3.598 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC000839170602 585096382 /nfs/dbraw/zinc/09/63/82/585096382.db2.gz OUUOHEYGYWMECX-LBPRGKRZSA-N 1 0 236.359 3.598 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839172058 585096371 /nfs/dbraw/zinc/09/63/71/585096371.db2.gz BHLQVSXNAJYPCM-DLBZAZTESA-N 1 0 241.378 3.668 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839172059 585096486 /nfs/dbraw/zinc/09/64/86/585096486.db2.gz BHLQVSXNAJYPCM-IAGOWNOFSA-N 1 0 241.378 3.668 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000839172060 585096444 /nfs/dbraw/zinc/09/64/44/585096444.db2.gz BHLQVSXNAJYPCM-IRXDYDNUSA-N 1 0 241.378 3.668 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839172061 585096480 /nfs/dbraw/zinc/09/64/80/585096480.db2.gz BHLQVSXNAJYPCM-SJORKVTESA-N 1 0 241.378 3.668 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000839193083 585097760 /nfs/dbraw/zinc/09/77/60/585097760.db2.gz YKTFBWBQETYAHF-KBPBESRZSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000839193085 585097849 /nfs/dbraw/zinc/09/78/49/585097849.db2.gz YKTFBWBQETYAHF-KGLIPLIRSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000839193087 585097896 /nfs/dbraw/zinc/09/78/96/585097896.db2.gz YKTFBWBQETYAHF-UONOGXRCSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000839193088 585097835 /nfs/dbraw/zinc/09/78/35/585097835.db2.gz YKTFBWBQETYAHF-ZIAGYGMSSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CC[N@@H+](CCC1(C#N)CCCCC1)C(C)C ZINC000839467386 585104835 /nfs/dbraw/zinc/10/48/35/585104835.db2.gz STPILPQDOLTDBA-UHFFFAOYSA-N 1 0 234.387 3.747 20 30 BHEDRO C=C(Cl)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000839513143 585105597 /nfs/dbraw/zinc/10/55/97/585105597.db2.gz OCVOKKOCTJFJAJ-UHFFFAOYSA-N 1 0 239.721 3.547 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000839608564 585331773 /nfs/dbraw/zinc/33/17/73/585331773.db2.gz VSNWUYXGLUGEMD-AWEZNQCLSA-N 1 0 248.757 3.764 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000839608570 585331823 /nfs/dbraw/zinc/33/18/23/585331823.db2.gz VSNWUYXGLUGEMD-CQSZACIVSA-N 1 0 248.757 3.764 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](CC)[C@H]1C[C@H]1C)c1ccncc1 ZINC000840723187 587918234 /nfs/dbraw/zinc/91/82/34/587918234.db2.gz OBLFORBVVHARBW-BVUBDWEXSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](CC)[C@H]1C[C@@H]1C)c1ccncc1 ZINC000840723188 587917963 /nfs/dbraw/zinc/91/79/63/587917963.db2.gz OBLFORBVVHARBW-HNKHHVNMSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](CC)[C@@H]1C[C@H]1C)c1ccncc1 ZINC000840723189 587918208 /nfs/dbraw/zinc/91/82/08/587918208.db2.gz OBLFORBVVHARBW-MIGQKNRLSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H]([NH2+][C@H](CC)[C@@H]1C[C@@H]1C)c1ccncc1 ZINC000840723190 583922469 /nfs/dbraw/zinc/92/24/69/583922469.db2.gz OBLFORBVVHARBW-XZDPQHSOSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000840750861 587919512 /nfs/dbraw/zinc/91/95/12/587919512.db2.gz BPKKXRVLOWEVJJ-AWEZNQCLSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000840750863 587919704 /nfs/dbraw/zinc/91/97/04/587919704.db2.gz BPKKXRVLOWEVJJ-CQSZACIVSA-N 1 0 249.402 3.597 20 30 BHEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC(C)(C)CC#N ZINC000840785548 585030161 /nfs/dbraw/zinc/03/01/61/585030161.db2.gz INCPZENZNWFEQO-HNNXBMFYSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC(C)(C)CC#N ZINC000840785553 585030159 /nfs/dbraw/zinc/03/01/59/585030159.db2.gz INCPZENZNWFEQO-OAHLLOKOSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000840788122 585032054 /nfs/dbraw/zinc/03/20/54/585032054.db2.gz WAGSDJHUBRBGPE-GFCCVEGCSA-N 1 0 248.345 3.725 20 30 BHEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000840788123 585031832 /nfs/dbraw/zinc/03/18/32/585031832.db2.gz WAGSDJHUBRBGPE-LBPRGKRZSA-N 1 0 248.345 3.725 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccn(CC)n1 ZINC000840840267 587924681 /nfs/dbraw/zinc/92/46/81/587924681.db2.gz BWDRAJHMFZHREE-AWEZNQCLSA-N 1 0 249.402 3.518 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccn(CC)n1 ZINC000840840268 587924667 /nfs/dbraw/zinc/92/46/67/587924667.db2.gz BWDRAJHMFZHREE-CQSZACIVSA-N 1 0 249.402 3.518 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C ZINC000840888033 587928202 /nfs/dbraw/zinc/92/82/02/587928202.db2.gz VHUJHSAIMUYUTG-BMFZPTHFSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1C ZINC000840888034 587928172 /nfs/dbraw/zinc/92/81/72/587928172.db2.gz VHUJHSAIMUYUTG-FVQBIDKESA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C ZINC000840888035 587927894 /nfs/dbraw/zinc/92/78/94/587927894.db2.gz VHUJHSAIMUYUTG-IMJJTQAJSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000840888036 587927969 /nfs/dbraw/zinc/92/79/69/587927969.db2.gz VHUJHSAIMUYUTG-NUEKZKHPSA-N 1 0 229.367 3.562 20 30 BHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000840971897 587932956 /nfs/dbraw/zinc/93/29/56/587932956.db2.gz UNFHEQVZNARXCC-INIZCTEOSA-N 1 0 241.334 3.557 20 30 BHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000840971898 587932921 /nfs/dbraw/zinc/93/29/21/587932921.db2.gz UNFHEQVZNARXCC-MRXNPFEDSA-N 1 0 241.334 3.557 20 30 BHEDRO CC([NH2+]Nc1cccc(Cl)c1)=C1CC1(F)F ZINC000841603688 645220738 /nfs/dbraw/zinc/22/07/38/645220738.db2.gz DRIDUWRINQXGTC-JTQLQIEISA-N 1 0 244.672 3.783 20 30 BHEDRO CC([NH2+]Nc1cccc(Cl)c1)=C1CC1(F)F ZINC000841603691 645220799 /nfs/dbraw/zinc/22/07/99/645220799.db2.gz DRIDUWRINQXGTC-SNVBAGLBSA-N 1 0 244.672 3.783 20 30 BHEDRO CC([NH2+]Nc1ccc(Cl)cc1)=C1CC1(F)F ZINC000841605300 645221554 /nfs/dbraw/zinc/22/15/54/645221554.db2.gz VGFBVQKMXCAXSH-JTQLQIEISA-N 1 0 244.672 3.783 20 30 BHEDRO CC([NH2+]Nc1ccc(Cl)cc1)=C1CC1(F)F ZINC000841605305 645223057 /nfs/dbraw/zinc/22/30/57/645223057.db2.gz VGFBVQKMXCAXSH-SNVBAGLBSA-N 1 0 244.672 3.783 20 30 BHEDRO CC([NH2+]Nc1cc(C)ccc1C)=C1CC1(F)F ZINC000841612584 587959742 /nfs/dbraw/zinc/95/97/42/587959742.db2.gz MGLCWVUSVOTWLE-LLVKDONJSA-N 1 0 238.281 3.746 20 30 BHEDRO CC([NH2+]Nc1cc(C)ccc1C)=C1CC1(F)F ZINC000841612586 642417174 /nfs/dbraw/zinc/41/71/74/642417174.db2.gz MGLCWVUSVOTWLE-NSHDSACASA-N 1 0 238.281 3.746 20 30 BHEDRO CC([NH2+]Nc1cc(C)cc(C)c1)=C1CC1(F)F ZINC000841613223 587959535 /nfs/dbraw/zinc/95/95/35/587959535.db2.gz XJUONWAYSKPTGO-GFCCVEGCSA-N 1 0 238.281 3.746 20 30 BHEDRO CC([NH2+]Nc1cc(C)cc(C)c1)=C1CC1(F)F ZINC000841613225 587959642 /nfs/dbraw/zinc/95/96/42/587959642.db2.gz XJUONWAYSKPTGO-LBPRGKRZSA-N 1 0 238.281 3.746 20 30 BHEDRO CCc1ccccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841617137 587960048 /nfs/dbraw/zinc/96/00/48/587960048.db2.gz FHTNDEJUZYNKOG-LLVKDONJSA-N 1 0 238.281 3.692 20 30 BHEDRO CCc1ccccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841617138 587960269 /nfs/dbraw/zinc/96/02/69/587960269.db2.gz FHTNDEJUZYNKOG-NSHDSACASA-N 1 0 238.281 3.692 20 30 BHEDRO CC([NH2+]Nc1ccc(F)cc1C)=C1CC1(F)F ZINC000841633972 587963424 /nfs/dbraw/zinc/96/34/24/587963424.db2.gz TXLODIOFWAPLCR-JTQLQIEISA-N 1 0 242.244 3.577 20 30 BHEDRO CC([NH2+]Nc1ccc(F)cc1C)=C1CC1(F)F ZINC000841633973 587963369 /nfs/dbraw/zinc/96/33/69/587963369.db2.gz TXLODIOFWAPLCR-SNVBAGLBSA-N 1 0 242.244 3.577 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841746855 587973889 /nfs/dbraw/zinc/97/38/89/587973889.db2.gz BYHXLJASFUAMOW-GARJFASQSA-N 1 0 241.787 3.582 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841746858 587973610 /nfs/dbraw/zinc/97/36/10/587973610.db2.gz BYHXLJASFUAMOW-OUAUKWLOSA-N 1 0 241.787 3.582 20 30 BHEDRO C#CCCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841748138 587973979 /nfs/dbraw/zinc/97/39/79/587973979.db2.gz HLRNENFQNNPFEF-HZSPNIEDSA-N 1 0 247.407 3.633 20 30 BHEDRO C#CCCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841748139 587973743 /nfs/dbraw/zinc/97/37/43/587973743.db2.gz HLRNENFQNNPFEF-MELADBBJSA-N 1 0 247.407 3.633 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841758842 587974212 /nfs/dbraw/zinc/97/42/12/587974212.db2.gz VJQRTCUDFGKBCX-JTQLQIEISA-N 1 0 239.746 3.662 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841758846 587974546 /nfs/dbraw/zinc/97/45/46/587974546.db2.gz VJQRTCUDFGKBCX-SNVBAGLBSA-N 1 0 239.746 3.662 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 ZINC000841897970 587982512 /nfs/dbraw/zinc/98/25/12/587982512.db2.gz JPUYKMKXJWVVOV-QLFBSQMISA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1 ZINC000841897979 587982825 /nfs/dbraw/zinc/98/28/25/587982825.db2.gz JPUYKMKXJWVVOV-RBSFLKMASA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 ZINC000841897982 587983045 /nfs/dbraw/zinc/98/30/45/587983045.db2.gz JPUYKMKXJWVVOV-RRFJBIMHSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 ZINC000841897985 587982877 /nfs/dbraw/zinc/98/28/77/587982877.db2.gz JPUYKMKXJWVVOV-SOUVJXGZSA-N 1 0 246.398 3.629 20 30 BHEDRO CCCCCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000841898268 587982490 /nfs/dbraw/zinc/98/24/90/587982490.db2.gz LIYXCMWHOGOGJN-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000841898269 587982927 /nfs/dbraw/zinc/98/29/27/587982927.db2.gz LIYXCMWHOGOGJN-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000841898951 583777791 /nfs/dbraw/zinc/77/77/91/583777791.db2.gz RCKPSDOZUQOBRO-AWEZNQCLSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000841898952 583777850 /nfs/dbraw/zinc/77/78/50/583777850.db2.gz RCKPSDOZUQOBRO-CQSZACIVSA-N 1 0 234.387 3.795 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000842851014 585065260 /nfs/dbraw/zinc/06/52/60/585065260.db2.gz ADYHXHRORXEECD-INIZCTEOSA-N 1 0 244.382 3.562 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000842851017 585065938 /nfs/dbraw/zinc/06/59/38/585065938.db2.gz ADYHXHRORXEECD-MRXNPFEDSA-N 1 0 244.382 3.562 20 30 BHEDRO C=C(Cl)C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000842851639 588069969 /nfs/dbraw/zinc/06/99/69/588069969.db2.gz BIKRMWVUAASKLO-CYBMUJFWSA-N 1 0 238.762 3.511 20 30 BHEDRO C=C(Cl)C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000842851642 588070177 /nfs/dbraw/zinc/07/01/77/588070177.db2.gz BIKRMWVUAASKLO-ZDUSSCGKSA-N 1 0 238.762 3.511 20 30 BHEDRO C#CCCC[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC000844360049 645320622 /nfs/dbraw/zinc/32/06/22/645320622.db2.gz MKQDDIYRVWCWNU-AWEZNQCLSA-N 1 0 247.407 3.512 20 30 BHEDRO C#CCCC[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC000844360050 588186883 /nfs/dbraw/zinc/18/68/83/588186883.db2.gz MKQDDIYRVWCWNU-CQSZACIVSA-N 1 0 247.407 3.512 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441747 588193582 /nfs/dbraw/zinc/19/35/82/588193582.db2.gz RWPVKAKCJBLVGM-CYBMUJFWSA-N 1 0 243.341 3.854 20 30 BHEDRO C=CCCCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441748 588194034 /nfs/dbraw/zinc/19/40/34/588194034.db2.gz RWPVKAKCJBLVGM-ZDUSSCGKSA-N 1 0 243.341 3.854 20 30 BHEDRO CCCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448450 588194529 /nfs/dbraw/zinc/19/45/29/588194529.db2.gz ALFFWVBPNMUTGC-TXEJJXNPSA-N 1 0 231.330 3.544 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844470453 588196597 /nfs/dbraw/zinc/19/65/97/588196597.db2.gz IIMWNDXHOZRZJG-GFCCVEGCSA-N 1 0 231.330 3.688 20 30 BHEDRO CCCCCCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844470454 588196703 /nfs/dbraw/zinc/19/67/03/588196703.db2.gz IIMWNDXHOZRZJG-LBPRGKRZSA-N 1 0 231.330 3.688 20 30 BHEDRO CCCCCCC[NH2+]Cc1cc2cnccc2o1 ZINC000845919738 588250504 /nfs/dbraw/zinc/25/05/04/588250504.db2.gz OLXFBNFAABAMKP-UHFFFAOYSA-N 1 0 246.354 3.888 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC000845921999 588250606 /nfs/dbraw/zinc/25/06/06/588250606.db2.gz TWRNFACQYSUVNL-BFHYXJOUSA-N 1 0 233.355 3.545 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2ccco2)C1 ZINC000845922001 588250612 /nfs/dbraw/zinc/25/06/12/588250612.db2.gz TWRNFACQYSUVNL-MCIONIFRSA-N 1 0 233.355 3.545 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccco2)C1 ZINC000845922003 588250551 /nfs/dbraw/zinc/25/05/51/588250551.db2.gz TWRNFACQYSUVNL-MGPQQGTHSA-N 1 0 233.355 3.545 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC000845922005 588250430 /nfs/dbraw/zinc/25/04/30/588250430.db2.gz TWRNFACQYSUVNL-MJBXVCDLSA-N 1 0 233.355 3.545 20 30 BHEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000845924829 645387212 /nfs/dbraw/zinc/38/72/12/645387212.db2.gz PDYUIZYACSNIFP-CVEARBPZSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000845924834 645387724 /nfs/dbraw/zinc/38/77/24/645387724.db2.gz PDYUIZYACSNIFP-HOTGVXAUSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000845924837 645387424 /nfs/dbraw/zinc/38/74/24/645387424.db2.gz PDYUIZYACSNIFP-HZPDHXFCSA-N 1 0 242.366 3.617 20 30 BHEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000845924838 645388571 /nfs/dbraw/zinc/38/85/71/645388571.db2.gz PDYUIZYACSNIFP-JKSUJKDBSA-N 1 0 242.366 3.617 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000845924865 645387626 /nfs/dbraw/zinc/38/76/26/645387626.db2.gz ATFDZDDUDQFOKG-JHJVBQTASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000845924874 645388195 /nfs/dbraw/zinc/38/81/95/645388195.db2.gz ATFDZDDUDQFOKG-UPJWGTAASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000845924877 645388671 /nfs/dbraw/zinc/38/86/71/645388671.db2.gz ATFDZDDUDQFOKG-XQQFMLRXSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000845924879 645387845 /nfs/dbraw/zinc/38/78/45/645387845.db2.gz ATFDZDDUDQFOKG-YNEHKIRRSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](SC)C2)C1 ZINC000845944941 645388471 /nfs/dbraw/zinc/38/84/71/645388471.db2.gz VYNGMKAPGACTTD-RFGFWPKPSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](SC)C2)C1 ZINC000845944956 645389929 /nfs/dbraw/zinc/38/99/29/645389929.db2.gz VYNGMKAPGACTTD-RQJABVFESA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](SC)C2)C1 ZINC000845944958 645390005 /nfs/dbraw/zinc/39/00/05/645390005.db2.gz VYNGMKAPGACTTD-XJFOESAGSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](SC)C2)C1 ZINC000845944960 588250868 /nfs/dbraw/zinc/25/08/68/588250868.db2.gz VYNGMKAPGACTTD-ZOBORPQBSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000845969482 588252155 /nfs/dbraw/zinc/25/21/55/588252155.db2.gz FBFRMCCIUWSEDI-AGIUHOORSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000845969484 588252024 /nfs/dbraw/zinc/25/20/24/588252024.db2.gz FBFRMCCIUWSEDI-FRRDWIJNSA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000845969486 588252136 /nfs/dbraw/zinc/25/21/36/588252136.db2.gz FBFRMCCIUWSEDI-JHJVBQTASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000845969488 588251919 /nfs/dbraw/zinc/25/19/19/588251919.db2.gz FBFRMCCIUWSEDI-UPJWGTAASA-N 1 0 207.361 3.509 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846033807 588254247 /nfs/dbraw/zinc/25/42/47/588254247.db2.gz QACOMFILIIGBBT-QJPTWQEYSA-N 1 0 233.758 3.635 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846033808 588254303 /nfs/dbraw/zinc/25/43/03/588254303.db2.gz QACOMFILIIGBBT-SDDRHHMPSA-N 1 0 233.758 3.635 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846033809 588254142 /nfs/dbraw/zinc/25/41/42/588254142.db2.gz QACOMFILIIGBBT-SRVKXCTJSA-N 1 0 233.758 3.635 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846033810 588254131 /nfs/dbraw/zinc/25/41/31/588254131.db2.gz QACOMFILIIGBBT-TUAOUCFPSA-N 1 0 233.758 3.635 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846034701 582643119 /nfs/dbraw/zinc/64/31/19/582643119.db2.gz FRVPOAOMYBZQFT-CYDGBPFRSA-N 1 0 247.785 3.881 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846034708 582642786 /nfs/dbraw/zinc/64/27/86/582642786.db2.gz FRVPOAOMYBZQFT-RVMXOQNASA-N 1 0 247.785 3.881 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846034715 582643384 /nfs/dbraw/zinc/64/33/84/582643384.db2.gz FRVPOAOMYBZQFT-WUHRBBMRSA-N 1 0 247.785 3.881 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846034730 582642953 /nfs/dbraw/zinc/64/29/53/582642953.db2.gz FRVPOAOMYBZQFT-ZDEQEGDKSA-N 1 0 247.785 3.881 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)c1cncnc1C ZINC000848533126 588393694 /nfs/dbraw/zinc/39/36/94/588393694.db2.gz OEXHCXBEABNRNA-CYBMUJFWSA-N 1 0 249.402 3.796 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)c1cncnc1C ZINC000848533128 588393814 /nfs/dbraw/zinc/39/38/14/588393814.db2.gz OEXHCXBEABNRNA-ZDUSSCGKSA-N 1 0 249.402 3.796 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000848534147 588393618 /nfs/dbraw/zinc/39/36/18/588393618.db2.gz YAVZUPTUAWJBGG-AWEZNQCLSA-N 1 0 249.402 3.668 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000848534148 582798683 /nfs/dbraw/zinc/79/86/83/582798683.db2.gz YAVZUPTUAWJBGG-CQSZACIVSA-N 1 0 249.402 3.668 20 30 BHEDRO CC(C)c1ccccc1C[NH2+]CCCCC#N ZINC000848534605 588394087 /nfs/dbraw/zinc/39/40/87/588394087.db2.gz SMDLTIQAQAUBKY-UHFFFAOYSA-N 1 0 230.355 3.593 20 30 BHEDRO CC(C)c1ccccc1C[NH2+]CC1(CC#N)CC1 ZINC000848550040 588395861 /nfs/dbraw/zinc/39/58/61/588395861.db2.gz AWCOGOPTZCMRKE-UHFFFAOYSA-N 1 0 242.366 3.593 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cncnc1C ZINC000848550234 588396101 /nfs/dbraw/zinc/39/61/01/588396101.db2.gz GXQVFRJAFOPVQU-CYBMUJFWSA-N 1 0 247.386 3.572 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1cncnc1C ZINC000848550235 588395936 /nfs/dbraw/zinc/39/59/36/588395936.db2.gz GXQVFRJAFOPVQU-ZDUSSCGKSA-N 1 0 247.386 3.572 20 30 BHEDRO CC(C)c1ccccc1C[NH2+]CC(C)(C)CC#N ZINC000848556156 588396848 /nfs/dbraw/zinc/39/68/48/588396848.db2.gz OHOSFGARGPATDQ-UHFFFAOYSA-N 1 0 244.382 3.839 20 30 BHEDRO CC(C)c1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000848558868 588397074 /nfs/dbraw/zinc/39/70/74/588397074.db2.gz OYZPTLLZZNRZEE-DZGCQCFKSA-N 1 0 242.366 3.592 20 30 BHEDRO C=CCCCCC[NH2+]Cc1ccc(Cl)nc1 ZINC000848562127 588397471 /nfs/dbraw/zinc/39/74/71/588397471.db2.gz HFPBPXTUHZCGOV-UHFFFAOYSA-N 1 0 238.762 3.571 20 30 BHEDRO C=CCCCCC[NH2+]Cc1cc(C)ccc1O ZINC000848562678 588397483 /nfs/dbraw/zinc/39/74/83/588397483.db2.gz LAHLTODODXCOBK-UHFFFAOYSA-N 1 0 233.355 3.537 20 30 BHEDRO C=CCCCCC[NH2+]Cc1cccnc1Cl ZINC000848563882 588397681 /nfs/dbraw/zinc/39/76/81/588397681.db2.gz YLHIOTFOWAVQIM-UHFFFAOYSA-N 1 0 238.762 3.571 20 30 BHEDRO CC(C)c1ccccc1C[NH+]1CCC(C#N)CC1 ZINC000848885779 588417195 /nfs/dbraw/zinc/41/71/95/588417195.db2.gz RTCYEJRSFZTXPX-UHFFFAOYSA-N 1 0 242.366 3.546 20 30 BHEDRO CC[C@@H](CC#N)NCc1ccccc1C(C)C ZINC000848903352 588418288 /nfs/dbraw/zinc/41/82/88/588418288.db2.gz QJOSJXJFTATJLX-AWEZNQCLSA-N 1 0 230.355 3.592 20 30 BHEDRO CC[C@H](CC#N)NCc1ccccc1C(C)C ZINC000848903353 588418946 /nfs/dbraw/zinc/41/89/46/588418946.db2.gz QJOSJXJFTATJLX-CQSZACIVSA-N 1 0 230.355 3.592 20 30 BHEDRO CC(C)c1ccccc1C[NH2+]CC1(C#N)CCC1 ZINC000848918230 588420616 /nfs/dbraw/zinc/42/06/16/588420616.db2.gz SSUVALLVXBTPKV-UHFFFAOYSA-N 1 0 242.366 3.593 20 30 BHEDRO C=CCCCCC[NH2+]Cc1cccc(C)c1O ZINC000848923804 712610452 /nfs/dbraw/zinc/61/04/52/712610452.db2.gz QCRLFIMRVCIZGD-UHFFFAOYSA-N 1 0 233.355 3.537 20 30 BHEDRO CCCCCCCCCNC(=[NH2+])N[C@H](C)CC ZINC000849009807 588434394 /nfs/dbraw/zinc/43/43/94/588434394.db2.gz REZLSOSQYOXWFW-CYBMUJFWSA-N 1 0 241.423 3.649 20 30 BHEDRO CCCCCCCCCNC(=[NH2+])N[C@@H](C)CC ZINC000849009808 588434398 /nfs/dbraw/zinc/43/43/98/588434398.db2.gz REZLSOSQYOXWFW-ZDUSSCGKSA-N 1 0 241.423 3.649 20 30 BHEDRO C=CCCCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000849019723 588438003 /nfs/dbraw/zinc/43/80/03/588438003.db2.gz FRLXNFPFYHOCBC-UHFFFAOYSA-N 1 0 245.370 3.596 20 30 BHEDRO C=CCCCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000849019757 588438059 /nfs/dbraw/zinc/43/80/59/588438059.db2.gz KLZDOSKSFHOKIN-UHFFFAOYSA-N 1 0 245.370 3.596 20 30 BHEDRO C=CCCCCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849019768 588438575 /nfs/dbraw/zinc/43/85/75/588438575.db2.gz MTEFJSZINGQAET-UHFFFAOYSA-N 1 0 245.370 3.542 20 30 BHEDRO C=CCCCCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000849019779 588438442 /nfs/dbraw/zinc/43/84/42/588438442.db2.gz NXGSSKSHDZQCDA-UHFFFAOYSA-N 1 0 245.370 3.542 20 30 BHEDRO C=C(C)CNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849020399 588438540 /nfs/dbraw/zinc/43/85/40/588438540.db2.gz GWXDJIIUDPSMBL-GFCCVEGCSA-N 1 0 245.370 3.712 20 30 BHEDRO C=C(C)CNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849020400 588438554 /nfs/dbraw/zinc/43/85/54/588438554.db2.gz GWXDJIIUDPSMBL-LBPRGKRZSA-N 1 0 245.370 3.712 20 30 BHEDRO C=CCCCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000849023746 582829714 /nfs/dbraw/zinc/82/97/14/582829714.db2.gz CPYZHEBXMKAVTK-UHFFFAOYSA-N 1 0 245.370 3.712 20 30 BHEDRO C=CCC(C)(C)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000849031167 588442564 /nfs/dbraw/zinc/44/25/64/588442564.db2.gz XFICEEAIFRFCAR-UHFFFAOYSA-N 1 0 245.370 3.534 20 30 BHEDRO C=C(C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000849036299 588444996 /nfs/dbraw/zinc/44/49/96/588444996.db2.gz NCBVKYFXDPIRCI-UHFFFAOYSA-N 1 0 245.370 3.712 20 30 BHEDRO C=C(CC)CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000849038906 588446604 /nfs/dbraw/zinc/44/66/04/588446604.db2.gz XKQLBNZQMGYKDY-UHFFFAOYSA-N 1 0 245.370 3.712 20 30 BHEDRO C=CCCCCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000849048952 588451468 /nfs/dbraw/zinc/45/14/68/588451468.db2.gz JPCNVLLTGBBXAT-UHFFFAOYSA-N 1 0 245.370 3.678 20 30 BHEDRO CCCCCCCCCNC(=[NH2+])NC(C)(C)C ZINC000849053169 588451654 /nfs/dbraw/zinc/45/16/54/588451654.db2.gz IDOMYXONVXADLU-UHFFFAOYSA-N 1 0 241.423 3.649 20 30 BHEDRO CCCCCCCCCNC(=[NH2+])NCC(C)C ZINC000849053273 588451844 /nfs/dbraw/zinc/45/18/44/588451844.db2.gz SAFOQPMHIJDJOC-UHFFFAOYSA-N 1 0 241.423 3.507 20 30 BHEDRO CCCCCCCCNC(=[NH2+])NCCC(C)C ZINC000849054587 588451868 /nfs/dbraw/zinc/45/18/68/588451868.db2.gz GRDAHBOTGPZCHM-UHFFFAOYSA-N 1 0 241.423 3.507 20 30 BHEDRO CCCCCCCCNC(=[NH2+])NCC(C)(C)C ZINC000849057288 588451954 /nfs/dbraw/zinc/45/19/54/588451954.db2.gz LTGSMCIMPIECIV-UHFFFAOYSA-N 1 0 241.423 3.507 20 30 BHEDRO CCCCCCC[C@@H](C)CNC(=[NH2+])NC(C)C ZINC000849065255 588452331 /nfs/dbraw/zinc/45/23/31/588452331.db2.gz GRRLQILBNTUOJE-CYBMUJFWSA-N 1 0 241.423 3.505 20 30 BHEDRO CCCCCCC[C@H](C)CNC(=[NH2+])NC(C)C ZINC000849065256 588452145 /nfs/dbraw/zinc/45/21/45/588452145.db2.gz GRRLQILBNTUOJE-ZDUSSCGKSA-N 1 0 241.423 3.505 20 30 BHEDRO CCCCCCC[C@@H](C)CNC(=[NH2+])NCCC ZINC000849065774 588452419 /nfs/dbraw/zinc/45/24/19/588452419.db2.gz YHWAMRHOEOGEBA-CYBMUJFWSA-N 1 0 241.423 3.507 20 30 BHEDRO CCCCCCC[C@H](C)CNC(=[NH2+])NCCC ZINC000849065775 588452198 /nfs/dbraw/zinc/45/21/98/588452198.db2.gz YHWAMRHOEOGEBA-ZDUSSCGKSA-N 1 0 241.423 3.507 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1nc(C)c[nH]1 ZINC000850013435 588514378 /nfs/dbraw/zinc/51/43/78/588514378.db2.gz CHDICNMCYKRJQU-UHFFFAOYSA-N 1 0 237.391 3.558 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000850303068 588535679 /nfs/dbraw/zinc/53/56/79/588535679.db2.gz RIXVAEVEXZMFBF-UHFFFAOYSA-N 1 0 249.402 3.643 20 30 BHEDRO C=CCC[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000850354690 588538642 /nfs/dbraw/zinc/53/86/42/588538642.db2.gz UMEKFQBQAVPKBM-UHFFFAOYSA-N 1 0 243.322 3.667 20 30 BHEDRO C=CCC1([NH2+]Cc2coc(C3CC3)n2)CCCC1 ZINC000850388893 588543384 /nfs/dbraw/zinc/54/33/84/588543384.db2.gz OPWSUIDLSPFMFB-UHFFFAOYSA-N 1 0 246.354 3.531 20 30 BHEDRO C=CCC1([NH2+]Cc2ccc(F)nc2C)CCCC1 ZINC000850389138 588543044 /nfs/dbraw/zinc/54/30/44/588543044.db2.gz UPCOUIOIDZPKHL-UHFFFAOYSA-N 1 0 248.345 3.508 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(Cl)nc1 ZINC000850417150 588544964 /nfs/dbraw/zinc/54/49/64/588544964.db2.gz MWKVRDRNEVSFGG-UHFFFAOYSA-N 1 0 238.762 3.569 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cccnc1Cl ZINC000850417169 588544960 /nfs/dbraw/zinc/54/49/60/588544960.db2.gz NTWHVPYAVFJJOC-UHFFFAOYSA-N 1 0 238.762 3.569 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1cc(C)oc1C ZINC000850417203 588544760 /nfs/dbraw/zinc/54/47/60/588544760.db2.gz PLAWUGMRDSGEFE-UHFFFAOYSA-N 1 0 221.344 3.731 20 30 BHEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000850417429 588544981 /nfs/dbraw/zinc/54/49/81/588544981.db2.gz XDAHDTHDMHHMTC-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000850417430 588545004 /nfs/dbraw/zinc/54/50/04/588545004.db2.gz XDAHDTHDMHHMTC-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000850417431 588544800 /nfs/dbraw/zinc/54/48/00/588544800.db2.gz XDAHDTHDMHHMTC-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000850417432 588544921 /nfs/dbraw/zinc/54/49/21/588544921.db2.gz XDAHDTHDMHHMTC-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO CCCCCCCC[NH2+][C@H]1CCCn2nccc21 ZINC000850442303 588547011 /nfs/dbraw/zinc/54/70/11/588547011.db2.gz LGUIVJJRGAPEBP-AWEZNQCLSA-N 1 0 249.402 3.668 20 30 BHEDRO CCCCCCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000850442304 588547174 /nfs/dbraw/zinc/54/71/74/588547174.db2.gz LGUIVJJRGAPEBP-CQSZACIVSA-N 1 0 249.402 3.668 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCC[C@H]1CC=C ZINC000850444765 588547157 /nfs/dbraw/zinc/54/71/57/588547157.db2.gz LKPZKIVVZIYVGK-CABCVRRESA-N 1 0 219.372 3.514 20 30 BHEDRO C#CCCCC[NH2+][C@H]1CCCC[C@@H]1CC=C ZINC000850444766 588546998 /nfs/dbraw/zinc/54/69/98/588546998.db2.gz LKPZKIVVZIYVGK-GJZGRUSLSA-N 1 0 219.372 3.514 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@H]1CC=C ZINC000850444767 588547062 /nfs/dbraw/zinc/54/70/62/588547062.db2.gz LKPZKIVVZIYVGK-HUUCEWRRSA-N 1 0 219.372 3.514 20 30 BHEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@@H]1CC=C ZINC000850444768 588546994 /nfs/dbraw/zinc/54/69/94/588546994.db2.gz LKPZKIVVZIYVGK-LSDHHAIUSA-N 1 0 219.372 3.514 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850444856 588547166 /nfs/dbraw/zinc/54/71/66/588547166.db2.gz WGDVHNUFTWCPLJ-CHWSQXEVSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850444857 588546974 /nfs/dbraw/zinc/54/69/74/588546974.db2.gz WGDVHNUFTWCPLJ-OLZOCXBDSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850444858 588547025 /nfs/dbraw/zinc/54/70/25/588547025.db2.gz WGDVHNUFTWCPLJ-QWHCGFSZSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850444859 588546986 /nfs/dbraw/zinc/54/69/86/588546986.db2.gz WGDVHNUFTWCPLJ-STQMWFEESA-N 1 0 245.366 3.627 20 30 BHEDRO CCCCCCC[NH2+]C1CC(CF)(CF)C1 ZINC000850447367 588547363 /nfs/dbraw/zinc/54/73/63/588547363.db2.gz FOESQPANUHBEAQ-UHFFFAOYSA-N 1 0 233.346 3.634 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850465766 588548571 /nfs/dbraw/zinc/54/85/71/588548571.db2.gz IUZRTQHEJLOZPP-CYBMUJFWSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850465767 588548473 /nfs/dbraw/zinc/54/84/73/588548473.db2.gz IUZRTQHEJLOZPP-ZDUSSCGKSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCCCCCC[NH2+]C1CC(CF)(CF)C1 ZINC000850468683 588548843 /nfs/dbraw/zinc/54/88/43/588548843.db2.gz FEQAOIBNRDVVPW-UHFFFAOYSA-N 1 0 245.357 3.800 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850472517 588549272 /nfs/dbraw/zinc/54/92/72/588549272.db2.gz IZMCKXFOPKNHAH-CYBMUJFWSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850472518 588548886 /nfs/dbraw/zinc/54/88/86/588548886.db2.gz IZMCKXFOPKNHAH-ZDUSSCGKSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850473392 588548803 /nfs/dbraw/zinc/54/88/03/588548803.db2.gz YAOJALJUTJTYMG-CYBMUJFWSA-N 1 0 245.366 3.628 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850473393 588548897 /nfs/dbraw/zinc/54/88/97/588548897.db2.gz YAOJALJUTJTYMG-ZDUSSCGKSA-N 1 0 245.366 3.628 20 30 BHEDRO CCCCC[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000850485523 588551820 /nfs/dbraw/zinc/55/18/20/588551820.db2.gz KRPJLSIYZKTUDO-AWEZNQCLSA-N 1 0 244.382 3.659 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000850485524 588551519 /nfs/dbraw/zinc/55/15/19/588551519.db2.gz KRPJLSIYZKTUDO-CQSZACIVSA-N 1 0 244.382 3.659 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]CCc1ccc(C#N)cc1 ZINC000850489948 588552199 /nfs/dbraw/zinc/55/21/99/588552199.db2.gz YPWOEVONALHHFL-CYBMUJFWSA-N 1 0 244.382 3.515 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]CCc1ccc(C#N)cc1 ZINC000850489949 588551997 /nfs/dbraw/zinc/55/19/97/588551997.db2.gz YPWOEVONALHHFL-ZDUSSCGKSA-N 1 0 244.382 3.515 20 30 BHEDRO C=CCCC1(C[NH2+][C@H](C)c2ncc[nH]2)CCCC1 ZINC000850499564 588552149 /nfs/dbraw/zinc/55/21/49/588552149.db2.gz RTZADCYILPGGNJ-CYBMUJFWSA-N 1 0 247.386 3.587 20 30 BHEDRO C=CCCC1(C[NH2+][C@@H](C)c2ncc[nH]2)CCCC1 ZINC000850499565 588552070 /nfs/dbraw/zinc/55/20/70/588552070.db2.gz RTZADCYILPGGNJ-ZDUSSCGKSA-N 1 0 247.386 3.587 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000850501356 588552326 /nfs/dbraw/zinc/55/23/26/588552326.db2.gz APLDXVNQDPDICZ-GFCCVEGCSA-N 1 0 239.746 3.662 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000850501357 588551933 /nfs/dbraw/zinc/55/19/33/588551933.db2.gz APLDXVNQDPDICZ-LBPRGKRZSA-N 1 0 239.746 3.662 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000850501483 588552814 /nfs/dbraw/zinc/55/28/14/588552814.db2.gz DJUOKPKWOOLAGV-JTQLQIEISA-N 1 0 239.746 3.581 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000850501485 588552700 /nfs/dbraw/zinc/55/27/00/588552700.db2.gz DJUOKPKWOOLAGV-SNVBAGLBSA-N 1 0 239.746 3.581 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000850502098 588552789 /nfs/dbraw/zinc/55/27/89/588552789.db2.gz KLYLPNOHPWMSFG-CYBMUJFWSA-N 1 0 233.355 3.539 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000850502099 588552742 /nfs/dbraw/zinc/55/27/42/588552742.db2.gz KLYLPNOHPWMSFG-ZDUSSCGKSA-N 1 0 233.355 3.539 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000850502911 588552825 /nfs/dbraw/zinc/55/28/25/588552825.db2.gz WLNGFJKUVVAAPE-JTQLQIEISA-N 1 0 239.746 3.575 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000850502912 588552546 /nfs/dbraw/zinc/55/25/46/588552546.db2.gz WLNGFJKUVVAAPE-SNVBAGLBSA-N 1 0 239.746 3.575 20 30 BHEDRO C=CCC[NH2+][C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000850503001 588552600 /nfs/dbraw/zinc/55/26/00/588552600.db2.gz YWMUOLLNALKPDU-HNNXBMFYSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCC[NH2+][C@H](CC)c1ccc2c(c1)CCCO2 ZINC000850503002 588552744 /nfs/dbraw/zinc/55/27/44/588552744.db2.gz YWMUOLLNALKPDU-OAHLLOKOSA-N 1 0 245.366 3.628 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccco1 ZINC000850510862 588555162 /nfs/dbraw/zinc/55/51/62/588555162.db2.gz WVONHETZATWMGZ-CHWSQXEVSA-N 1 0 217.312 3.595 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1C=CCC1)c1ccco1 ZINC000850510863 588555530 /nfs/dbraw/zinc/55/55/30/588555530.db2.gz WVONHETZATWMGZ-OLZOCXBDSA-N 1 0 217.312 3.595 20 30 BHEDRO C=CCC[C@@H]([NH2+][C@H]1C=CCC1)c1ccco1 ZINC000850510864 588555277 /nfs/dbraw/zinc/55/52/77/588555277.db2.gz WVONHETZATWMGZ-QWHCGFSZSA-N 1 0 217.312 3.595 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1C=CCC1)c1ccco1 ZINC000850510865 588555211 /nfs/dbraw/zinc/55/52/11/588555211.db2.gz WVONHETZATWMGZ-STQMWFEESA-N 1 0 217.312 3.595 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]CC1(C#N)CCCCC1 ZINC000850549606 588559506 /nfs/dbraw/zinc/55/95/06/588559506.db2.gz HPNVFFISEPERRH-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]CC1(C#N)CCCCC1 ZINC000850549607 588559673 /nfs/dbraw/zinc/55/96/73/588559673.db2.gz HPNVFFISEPERRH-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]CC1SCCS1 ZINC000850561049 588560758 /nfs/dbraw/zinc/56/07/58/588560758.db2.gz QDDJVUJOKRZKSM-LLVKDONJSA-N 1 0 245.457 3.517 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]CC1SCCS1 ZINC000850561071 588559868 /nfs/dbraw/zinc/55/98/68/588559868.db2.gz QDDJVUJOKRZKSM-NSHDSACASA-N 1 0 245.457 3.517 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]CC1SCCS1 ZINC000850562781 588560401 /nfs/dbraw/zinc/56/04/01/588560401.db2.gz YUTRNATUERPHJS-LLVKDONJSA-N 1 0 245.457 3.517 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]CC1SCCS1 ZINC000850562782 588560463 /nfs/dbraw/zinc/56/04/63/588560463.db2.gz YUTRNATUERPHJS-NSHDSACASA-N 1 0 245.457 3.517 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CCC1SCCS1 ZINC000850570012 588561392 /nfs/dbraw/zinc/56/13/92/588561392.db2.gz DFGVOCYHRQGNPY-LLVKDONJSA-N 1 0 245.457 3.517 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CCC1SCCS1 ZINC000850570013 588561353 /nfs/dbraw/zinc/56/13/53/588561353.db2.gz DFGVOCYHRQGNPY-NSHDSACASA-N 1 0 245.457 3.517 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000850573376 588561434 /nfs/dbraw/zinc/56/14/34/588561434.db2.gz YVRFVXZIHNICGO-KBPBESRZSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000850573377 588561251 /nfs/dbraw/zinc/56/12/51/588561251.db2.gz YVRFVXZIHNICGO-KGLIPLIRSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000850573378 588561172 /nfs/dbraw/zinc/56/11/72/588561172.db2.gz YVRFVXZIHNICGO-UONOGXRCSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000850573379 588560967 /nfs/dbraw/zinc/56/09/67/588560967.db2.gz YVRFVXZIHNICGO-ZIAGYGMSSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CC[N@@H+](C[C@H](CC)CC(F)F)C(C)C ZINC000851731493 588619570 /nfs/dbraw/zinc/61/95/70/588619570.db2.gz RXRBDHHVTASKPI-LLVKDONJSA-N 1 0 219.319 3.564 20 30 BHEDRO C=CC[N@@H+](C[C@@H](CC)CC(F)F)C(C)C ZINC000851731494 588619559 /nfs/dbraw/zinc/61/95/59/588619559.db2.gz RXRBDHHVTASKPI-NSHDSACASA-N 1 0 219.319 3.564 20 30 BHEDRO CC(C)c1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC000851739996 588621182 /nfs/dbraw/zinc/62/11/82/588621182.db2.gz KARQJECJYOOWBA-UHFFFAOYSA-N 1 0 242.366 3.546 20 30 BHEDRO C#CC[N@@H+](C[C@H](CC)CC(F)F)C1CCCC1 ZINC000851809348 582968709 /nfs/dbraw/zinc/96/87/09/582968709.db2.gz UEHITZPUZOGHLB-GFCCVEGCSA-N 1 0 243.341 3.546 20 30 BHEDRO C#CC[N@@H+](C[C@@H](CC)CC(F)F)C1CCCC1 ZINC000851809349 582968845 /nfs/dbraw/zinc/96/88/45/582968845.db2.gz UEHITZPUZOGHLB-LBPRGKRZSA-N 1 0 243.341 3.546 20 30 BHEDRO C#CC[C@H]([NH2+]CCC=C(C)C)c1ccccc1 ZINC000851902413 588641803 /nfs/dbraw/zinc/64/18/03/588641803.db2.gz QNKZFGSTPUGSOT-INIZCTEOSA-N 1 0 227.351 3.697 20 30 BHEDRO C#CC[C@@H]([NH2+]CCC=C(C)C)c1ccccc1 ZINC000851902414 588642237 /nfs/dbraw/zinc/64/22/37/588642237.db2.gz QNKZFGSTPUGSOT-MRXNPFEDSA-N 1 0 227.351 3.697 20 30 BHEDRO C#CC[C@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000851903769 588642073 /nfs/dbraw/zinc/64/20/73/588642073.db2.gz ZOIYQOHRZGVRHG-INIZCTEOSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CC[C@@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000851903770 588642072 /nfs/dbraw/zinc/64/20/72/588642072.db2.gz ZOIYQOHRZGVRHG-MRXNPFEDSA-N 1 0 227.351 3.531 20 30 BHEDRO C#CCCC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000852312069 588678181 /nfs/dbraw/zinc/67/81/81/588678181.db2.gz UEEZEZKGCIGXKL-UHFFFAOYSA-N 1 0 235.396 3.762 20 30 BHEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC000852408788 588681131 /nfs/dbraw/zinc/68/11/31/588681131.db2.gz AUOCZZJADHLMTH-CYBMUJFWSA-N 1 0 248.370 3.586 20 30 BHEDRO C=CC[C@H]1CCC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC000852408789 588681136 /nfs/dbraw/zinc/68/11/36/588681136.db2.gz AUOCZZJADHLMTH-ZDUSSCGKSA-N 1 0 248.370 3.586 20 30 BHEDRO C#CCCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427382 645478844 /nfs/dbraw/zinc/47/88/44/645478844.db2.gz XFHZKAJOEMSQFE-HNNXBMFYSA-N 1 0 243.350 3.610 20 30 BHEDRO C#CCCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852427383 645480568 /nfs/dbraw/zinc/48/05/68/645480568.db2.gz XFHZKAJOEMSQFE-OAHLLOKOSA-N 1 0 243.350 3.610 20 30 BHEDRO C#CCCC[NH2+][C@H](c1ccccc1F)C(C)C ZINC000852447959 588682845 /nfs/dbraw/zinc/68/28/45/588682845.db2.gz INJUVLYEIJNVAM-HNNXBMFYSA-N 1 0 233.330 3.526 20 30 BHEDRO C#CCCC[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000852447960 588682523 /nfs/dbraw/zinc/68/25/23/588682523.db2.gz INJUVLYEIJNVAM-OAHLLOKOSA-N 1 0 233.330 3.526 20 30 BHEDRO CCCCCCCC[N@H+](C)CC1=CCCOC1 ZINC000852518833 588687724 /nfs/dbraw/zinc/68/77/24/588687724.db2.gz PPNXJNHEZCSEOT-UHFFFAOYSA-N 1 0 239.403 3.625 20 30 BHEDRO C=CC[N@H+](Cc1ccc(Cl)nc1)C(C)(C)C ZINC000852553921 588689636 /nfs/dbraw/zinc/68/96/36/588689636.db2.gz VYDFWMVTJFBJNY-UHFFFAOYSA-N 1 0 238.762 3.522 20 30 BHEDRO C=CC[N@H+](Cc1cccc(Cl)n1)C(C)(C)C ZINC000852554109 588689768 /nfs/dbraw/zinc/68/97/68/588689768.db2.gz CISHPVRXHTWBNW-UHFFFAOYSA-N 1 0 238.762 3.522 20 30 BHEDRO C=CCN(C/C(Cl)=C/Cl)C(C)(C)C ZINC000852554123 588689801 /nfs/dbraw/zinc/68/98/01/588689801.db2.gz CXDJXYCXRVJFAE-CLFYSBASSA-N 1 0 222.159 3.592 20 30 BHEDRO C=CCN(C/C(Cl)=C\Cl)C(C)(C)C ZINC000852554124 588689502 /nfs/dbraw/zinc/68/95/02/588689502.db2.gz CXDJXYCXRVJFAE-VQHVLOKHSA-N 1 0 222.159 3.592 20 30 BHEDRO C=CC[N@@H+](CCc1cccs1)C(C)(C)C ZINC000852554176 588689040 /nfs/dbraw/zinc/68/90/40/588689040.db2.gz FKDREKYMXXYVLO-UHFFFAOYSA-N 1 0 223.385 3.577 20 30 BHEDRO C=CC[N@H+](Cc1ccnc(Cl)c1)C(C)(C)C ZINC000852554361 588689474 /nfs/dbraw/zinc/68/94/74/588689474.db2.gz KFFOJZHILUXFAO-UHFFFAOYSA-N 1 0 238.762 3.522 20 30 BHEDRO C=CCN(CC=C(Cl)Cl)C(C)(C)C ZINC000852554391 588689660 /nfs/dbraw/zinc/68/96/60/588689660.db2.gz LIDZSZIZAABQMN-UHFFFAOYSA-N 1 0 222.159 3.592 20 30 BHEDRO C=CC[N@H+](Cc1cnc(Cl)s1)C(C)(C)C ZINC000852554434 588689464 /nfs/dbraw/zinc/68/94/64/588689464.db2.gz MNEUDXKDDZMYNB-UHFFFAOYSA-N 1 0 244.791 3.583 20 30 BHEDRO C=CCN(Cc1cccnc1Cl)C(C)(C)C ZINC000852554483 588689697 /nfs/dbraw/zinc/68/96/97/588689697.db2.gz OLBWQKXPDRFVQM-UHFFFAOYSA-N 1 0 238.762 3.522 20 30 BHEDRO C=CCN(Cc1ncc(C(C)C)o1)C(C)(C)C ZINC000852554797 588689759 /nfs/dbraw/zinc/68/97/59/588689759.db2.gz WOACJZZIVHVMLK-UHFFFAOYSA-N 1 0 236.359 3.585 20 30 BHEDRO C=CCN(Cc1csc(Cl)n1)C(C)(C)C ZINC000852554810 588689615 /nfs/dbraw/zinc/68/96/15/588689615.db2.gz WUXKCNNDVMFVNL-UHFFFAOYSA-N 1 0 244.791 3.583 20 30 BHEDRO C=CC[N@H+](Cc1ccc2c(c1)COC2)C(C)(C)C ZINC000852554906 583014461 /nfs/dbraw/zinc/01/44/61/583014461.db2.gz YKMVIIMSYXMDOF-UHFFFAOYSA-N 1 0 245.366 3.503 20 30 BHEDRO C=CCC1([NH2+]Cc2ncc(C(C)C)o2)CCCC1 ZINC000852588173 588692361 /nfs/dbraw/zinc/69/23/61/588692361.db2.gz PDGYLMBCPQILAJ-UHFFFAOYSA-N 1 0 248.370 3.777 20 30 BHEDRO C=CCC1([NH2+]C[C@@H]2CC2(Cl)Cl)CCCC1 ZINC000852589385 588692448 /nfs/dbraw/zinc/69/24/48/588692448.db2.gz OSPOGAQIOYEAJK-JTQLQIEISA-N 1 0 248.197 3.659 20 30 BHEDRO C=CCC1([NH2+]C[C@H]2CC2(Cl)Cl)CCCC1 ZINC000852589388 588692445 /nfs/dbraw/zinc/69/24/45/588692445.db2.gz OSPOGAQIOYEAJK-SNVBAGLBSA-N 1 0 248.197 3.659 20 30 BHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC(OC(C)(C)C)C1 ZINC000852687655 588696302 /nfs/dbraw/zinc/69/63/02/588696302.db2.gz MNHOREGRUGIVEV-DGKWVBSXSA-N 1 0 249.398 3.516 20 30 BHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(CF)cc1 ZINC000852688688 588696422 /nfs/dbraw/zinc/69/64/22/588696422.db2.gz XRJLNSUMXHVEER-IYBDPMFKSA-N 1 0 245.341 3.839 20 30 BHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCSC(C)(C)C ZINC000852688749 588696386 /nfs/dbraw/zinc/69/63/86/588696386.db2.gz ZUUAWBNAAJNQOR-BETUJISGSA-N 1 0 239.428 3.701 20 30 BHEDRO CCCCCCC[N@H+](C)CC1=CCSC1 ZINC000852747639 588699378 /nfs/dbraw/zinc/69/93/78/588699378.db2.gz QZXQMXDBFWKWBS-UHFFFAOYSA-N 1 0 227.417 3.562 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccnn1CC ZINC000853239121 588728383 /nfs/dbraw/zinc/72/83/83/588728383.db2.gz AJVJZASOFUDWHE-AWEZNQCLSA-N 1 0 249.402 3.518 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccnn1CC ZINC000853239122 588728396 /nfs/dbraw/zinc/72/83/96/588728396.db2.gz AJVJZASOFUDWHE-CQSZACIVSA-N 1 0 249.402 3.518 20 30 BHEDRO CC([NH2+]Nc1cc(F)ccc1C)=C1CC1(F)F ZINC000853393267 588740427 /nfs/dbraw/zinc/74/04/27/588740427.db2.gz ABVBFTDGQSLVAR-JTQLQIEISA-N 1 0 242.244 3.577 20 30 BHEDRO CC([NH2+]Nc1cc(F)ccc1C)=C1CC1(F)F ZINC000853393268 588740467 /nfs/dbraw/zinc/74/04/67/588740467.db2.gz ABVBFTDGQSLVAR-SNVBAGLBSA-N 1 0 242.244 3.577 20 30 BHEDRO CC([NH2+]Nc1ccc(C)c(F)c1)=C1CC1(F)F ZINC000853438170 588742512 /nfs/dbraw/zinc/74/25/12/588742512.db2.gz QOJYOPJVMULJDU-JTQLQIEISA-N 1 0 242.244 3.577 20 30 BHEDRO CC([NH2+]Nc1ccc(C)c(F)c1)=C1CC1(F)F ZINC000853438171 588742453 /nfs/dbraw/zinc/74/24/53/588742453.db2.gz QOJYOPJVMULJDU-SNVBAGLBSA-N 1 0 242.244 3.577 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cccc(N)c1 ZINC000854216111 588779815 /nfs/dbraw/zinc/77/98/15/588779815.db2.gz VBHCUHIBABDZKW-AWEZNQCLSA-N 1 0 246.398 3.883 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cccc(N)c1 ZINC000854216112 588779806 /nfs/dbraw/zinc/77/98/06/588779806.db2.gz VBHCUHIBABDZKW-CQSZACIVSA-N 1 0 246.398 3.883 20 30 BHEDRO C#CCCCC[NH2+]Cc1ccc(CCC)s1 ZINC000856773258 588877080 /nfs/dbraw/zinc/87/70/80/588877080.db2.gz UQHQIIOZWVVLPO-UHFFFAOYSA-N 1 0 235.396 3.594 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857065621 588885086 /nfs/dbraw/zinc/88/50/86/588885086.db2.gz RQGOCOZQCHJOGD-NXEZZACHSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857065622 588885225 /nfs/dbraw/zinc/88/52/25/588885225.db2.gz RQGOCOZQCHJOGD-UWVGGRQHSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857065623 588885123 /nfs/dbraw/zinc/88/51/23/588885123.db2.gz RQGOCOZQCHJOGD-VHSXEESVSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857065624 588885304 /nfs/dbraw/zinc/88/53/04/588885304.db2.gz RQGOCOZQCHJOGD-ZJUUUORDSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCCCCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857866956 588915436 /nfs/dbraw/zinc/91/54/36/588915436.db2.gz VXDUIJJIKDIXLE-AWEZNQCLSA-N 1 0 247.386 3.513 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857866957 588915690 /nfs/dbraw/zinc/91/56/90/588915690.db2.gz VXDUIJJIKDIXLE-CQSZACIVSA-N 1 0 247.386 3.513 20 30 BHEDRO CCCCCCC[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000857877743 588919086 /nfs/dbraw/zinc/91/90/86/588919086.db2.gz HKKIBZUOCONOIL-CYBMUJFWSA-N 1 0 249.402 3.517 20 30 BHEDRO CCCCCCC[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000857877744 588918951 /nfs/dbraw/zinc/91/89/51/588918951.db2.gz HKKIBZUOCONOIL-ZDUSSCGKSA-N 1 0 249.402 3.517 20 30 BHEDRO CCCCCCCC[NH2+]Cc1ccnc(F)c1 ZINC000858088638 588931652 /nfs/dbraw/zinc/93/16/52/588931652.db2.gz MSFUTAOVJXJGSL-UHFFFAOYSA-N 1 0 238.350 3.671 20 30 BHEDRO C=CCC1([NH2+]Cc2ccnc(F)c2)CCCCC1 ZINC000858172389 588936832 /nfs/dbraw/zinc/93/68/32/588936832.db2.gz SORSYZHSJPCNNT-UHFFFAOYSA-N 1 0 248.345 3.589 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000858239289 588940040 /nfs/dbraw/zinc/94/00/40/588940040.db2.gz LCIPLSJAAZDFCL-DZGCQCFKSA-N 1 0 245.366 3.535 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000858239290 588940196 /nfs/dbraw/zinc/94/01/96/588940196.db2.gz LCIPLSJAAZDFCL-HIFRSBDPSA-N 1 0 245.366 3.535 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000858239291 588940480 /nfs/dbraw/zinc/94/04/80/588940480.db2.gz LCIPLSJAAZDFCL-UKRRQHHQSA-N 1 0 245.366 3.535 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000858239292 588940258 /nfs/dbraw/zinc/94/02/58/588940258.db2.gz LCIPLSJAAZDFCL-ZFWWWQNUSA-N 1 0 245.366 3.535 20 30 BHEDRO CC1(C)CCC(C)([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000858276334 588941766 /nfs/dbraw/zinc/94/17/66/588941766.db2.gz NJXLVHWJDKPISA-UHFFFAOYSA-N 1 0 246.354 3.600 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccns1 ZINC000858576897 588968246 /nfs/dbraw/zinc/96/82/46/588968246.db2.gz GUTYDDMJHZNEHY-GHMZBOCLSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccns1 ZINC000858576899 588968490 /nfs/dbraw/zinc/96/84/90/588968490.db2.gz GUTYDDMJHZNEHY-MNOVXSKESA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccns1 ZINC000858576900 588968349 /nfs/dbraw/zinc/96/83/49/588968349.db2.gz GUTYDDMJHZNEHY-QWRGUYRKSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccns1 ZINC000858576902 588968492 /nfs/dbraw/zinc/96/84/92/588968492.db2.gz GUTYDDMJHZNEHY-WDEREUQCSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccns2)C1 ZINC000858577185 588968065 /nfs/dbraw/zinc/96/80/65/588968065.db2.gz QHOFSFGBZXNYFY-IJLUTSLNSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccns2)C1 ZINC000858577186 588968360 /nfs/dbraw/zinc/96/83/60/588968360.db2.gz QHOFSFGBZXNYFY-QJPTWQEYSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccns2)C1 ZINC000858577188 582468288 /nfs/dbraw/zinc/46/82/88/582468288.db2.gz QHOFSFGBZXNYFY-TUAOUCFPSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccns2)C1 ZINC000858577194 582468262 /nfs/dbraw/zinc/46/82/62/582468262.db2.gz QHOFSFGBZXNYFY-UTUOFQBUSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccns1 ZINC000858577794 588968364 /nfs/dbraw/zinc/96/83/64/588968364.db2.gz MCYMQJQDPFJXSK-NEPJUHHUSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccns1 ZINC000858577798 588968241 /nfs/dbraw/zinc/96/82/41/588968241.db2.gz MCYMQJQDPFJXSK-NWDGAFQWSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccns1 ZINC000858577800 588968237 /nfs/dbraw/zinc/96/82/37/588968237.db2.gz MCYMQJQDPFJXSK-RYUDHWBXSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccns1 ZINC000858577804 588968226 /nfs/dbraw/zinc/96/82/26/588968226.db2.gz MCYMQJQDPFJXSK-VXGBXAGGSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000858578135 588968347 /nfs/dbraw/zinc/96/83/47/588968347.db2.gz XNVPTSPNNRVXBX-NEPJUHHUSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000858578137 588968503 /nfs/dbraw/zinc/96/85/03/588968503.db2.gz XNVPTSPNNRVXBX-NWDGAFQWSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000858578139 588968476 /nfs/dbraw/zinc/96/84/76/588968476.db2.gz XNVPTSPNNRVXBX-RYUDHWBXSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000858578237 588968362 /nfs/dbraw/zinc/96/83/62/588968362.db2.gz XNVPTSPNNRVXBX-VXGBXAGGSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000858593318 588970262 /nfs/dbraw/zinc/97/02/62/588970262.db2.gz ZPELTFVVVLIPBD-KFWWJZLASA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000858593319 588970015 /nfs/dbraw/zinc/97/00/15/588970015.db2.gz ZPELTFVVVLIPBD-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO CCCCCCCCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000859305201 589029188 /nfs/dbraw/zinc/02/91/88/589029188.db2.gz CWEBBXVOMLFNAM-UHFFFAOYSA-N 1 0 249.402 3.518 20 30 BHEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000859446324 589037443 /nfs/dbraw/zinc/03/74/43/589037443.db2.gz XLMQZXBQYMRNSD-AWEZNQCLSA-N 1 0 233.330 3.554 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000859446325 589037910 /nfs/dbraw/zinc/03/79/10/589037910.db2.gz XLMQZXBQYMRNSD-CQSZACIVSA-N 1 0 233.330 3.554 20 30 BHEDRO CCCCCCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859478641 589039783 /nfs/dbraw/zinc/03/97/83/589039783.db2.gz HAJAGVCFADEGLX-UHFFFAOYSA-N 1 0 233.355 3.678 20 30 BHEDRO C=CCC1([NH2+]CC(=C)Cl)CCCCC1 ZINC000859744785 589058242 /nfs/dbraw/zinc/05/82/42/589058242.db2.gz IRNBFYGAVPPPJY-UHFFFAOYSA-N 1 0 213.752 3.608 20 30 BHEDRO C=CCC1([NH2+]CC2CC(F)(F)C2)CCCCC1 ZINC000859744825 589058207 /nfs/dbraw/zinc/05/82/07/589058207.db2.gz JTLKNTWWTUAWDE-UHFFFAOYSA-N 1 0 243.341 3.900 20 30 BHEDRO C=CCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC000859745608 589056613 /nfs/dbraw/zinc/05/66/13/589056613.db2.gz MVZITWOPTXZTEW-POHAHGRESA-N 1 0 213.752 3.608 20 30 BHEDRO C=CCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC000859745609 589056370 /nfs/dbraw/zinc/05/63/70/589056370.db2.gz MVZITWOPTXZTEW-UXBLZVDNSA-N 1 0 213.752 3.608 20 30 BHEDRO C=CCC1([NH2+]Cc2cccc(F)n2)CCCCC1 ZINC000859746222 589058096 /nfs/dbraw/zinc/05/80/96/589058096.db2.gz ZAHUDHLHGPVPMP-UHFFFAOYSA-N 1 0 248.345 3.589 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000860059348 589078140 /nfs/dbraw/zinc/07/81/40/589078140.db2.gz ZJLOGBMGFOHACX-GHMZBOCLSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000860059349 589078171 /nfs/dbraw/zinc/07/81/71/589078171.db2.gz ZJLOGBMGFOHACX-MNOVXSKESA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000860059350 589078079 /nfs/dbraw/zinc/07/80/79/589078079.db2.gz ZJLOGBMGFOHACX-QWRGUYRKSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000860059351 589077770 /nfs/dbraw/zinc/07/77/70/589077770.db2.gz ZJLOGBMGFOHACX-WDEREUQCSA-N 1 0 224.373 3.539 20 30 BHEDRO C#CCC[NH2+]C(C)(C)c1ccc2ccccc2c1 ZINC000860074912 589079496 /nfs/dbraw/zinc/07/94/96/589079496.db2.gz IFVGCJPZQBBCTI-UHFFFAOYSA-N 1 0 237.346 3.688 20 30 BHEDRO C=CC[N@H+](Cc1ccc2cc[nH]c2c1)C(C)C ZINC000862224367 589195602 /nfs/dbraw/zinc/19/56/02/589195602.db2.gz PWGIUCUFUZUZFD-UHFFFAOYSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[N@H+](Cc1ccc2[nH]ccc2c1)C(C)C ZINC000862224749 589195498 /nfs/dbraw/zinc/19/54/98/589195498.db2.gz TUIGUHRDGFZTTM-UHFFFAOYSA-N 1 0 228.339 3.564 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862264143 589197531 /nfs/dbraw/zinc/19/75/31/589197531.db2.gz GLJIXDGBCCYNFJ-LLVKDONJSA-N 1 0 233.346 3.980 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862264144 589197225 /nfs/dbraw/zinc/19/72/25/589197225.db2.gz GLJIXDGBCCYNFJ-NSHDSACASA-N 1 0 233.346 3.980 20 30 BHEDRO CCCCCCC[NH2+]Cc1ccnc(F)c1C ZINC000862264339 589197949 /nfs/dbraw/zinc/19/79/49/589197949.db2.gz NLKIBSHDFZEBAL-UHFFFAOYSA-N 1 0 238.350 3.589 20 30 BHEDRO CCCCCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000862264621 589198117 /nfs/dbraw/zinc/19/81/17/589198117.db2.gz YPTJAMIORCJJTK-UHFFFAOYSA-N 1 0 236.359 3.612 20 30 BHEDRO N#CCC[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000862349611 589201824 /nfs/dbraw/zinc/20/18/24/589201824.db2.gz JABWTQVEVNRVAW-CVEARBPZSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCC[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000862349612 589201685 /nfs/dbraw/zinc/20/16/85/589201685.db2.gz JABWTQVEVNRVAW-HOTGVXAUSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000862349613 589201809 /nfs/dbraw/zinc/20/18/09/589201809.db2.gz JABWTQVEVNRVAW-HZPDHXFCSA-N 1 0 242.366 3.606 20 30 BHEDRO N#CCC[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000862349614 589201624 /nfs/dbraw/zinc/20/16/24/589201624.db2.gz JABWTQVEVNRVAW-JKSUJKDBSA-N 1 0 242.366 3.606 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000862365539 589204563 /nfs/dbraw/zinc/20/45/63/589204563.db2.gz BGVQIESNKGEBAW-UHFFFAOYSA-N 1 0 248.370 3.778 20 30 BHEDRO C=CCC1([NH2+]Cc2ccnc(F)c2C)CCCC1 ZINC000862416271 589211426 /nfs/dbraw/zinc/21/14/26/589211426.db2.gz NWMMDVNGPWVQGS-UHFFFAOYSA-N 1 0 248.345 3.508 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(C)ccc1O ZINC000862475990 589216436 /nfs/dbraw/zinc/21/64/36/589216436.db2.gz DPKJBGGMOZFTEV-AWEZNQCLSA-N 1 0 233.355 3.535 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(C)ccc1O ZINC000862475991 589216412 /nfs/dbraw/zinc/21/64/12/589216412.db2.gz DPKJBGGMOZFTEV-CQSZACIVSA-N 1 0 233.355 3.535 20 30 BHEDRO CC([NH2+]Nc1ccc(C)cc1)=C1CC(F)(F)C1 ZINC000863064069 589253641 /nfs/dbraw/zinc/25/36/41/589253641.db2.gz DOLRLZHVJDLWCK-UHFFFAOYSA-N 1 0 238.281 3.828 20 30 BHEDRO CC([NH2+]Nc1cccc(C)c1)=C1CC(F)(F)C1 ZINC000863065163 589253309 /nfs/dbraw/zinc/25/33/09/589253309.db2.gz XYZDAWWVLAVZIH-UHFFFAOYSA-N 1 0 238.281 3.828 20 30 BHEDRO CC(C)CCCC=[NH+]n1cnc2ccccc21 ZINC000863077311 589254678 /nfs/dbraw/zinc/25/46/78/589254678.db2.gz HNWXADSLOXAIIW-UHFFFAOYSA-N 1 0 229.327 3.697 20 30 BHEDRO CC1(C#N)CCC([NH2+]CCCCC2CC2)CC1 ZINC000865786505 589461929 /nfs/dbraw/zinc/46/19/29/589461929.db2.gz OSOUYHVWSQHYST-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000866305240 589485446 /nfs/dbraw/zinc/48/54/46/589485446.db2.gz PEDSLIDXCZTKDD-HNNXBMFYSA-N 1 0 244.382 3.624 20 30 BHEDRO C#CCCCC[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000866305241 589485377 /nfs/dbraw/zinc/48/53/77/589485377.db2.gz PEDSLIDXCZTKDD-OAHLLOKOSA-N 1 0 244.382 3.624 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866315216 589486035 /nfs/dbraw/zinc/48/60/35/589486035.db2.gz RHZPTECOYOCHNH-CABCVRRESA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866315218 589486047 /nfs/dbraw/zinc/48/60/47/589486047.db2.gz RHZPTECOYOCHNH-GJZGRUSLSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866315220 589485953 /nfs/dbraw/zinc/48/59/53/589485953.db2.gz RHZPTECOYOCHNH-HUUCEWRRSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866315222 589486046 /nfs/dbraw/zinc/48/60/46/589486046.db2.gz RHZPTECOYOCHNH-LSDHHAIUSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CCc1cccnc1 ZINC000866365283 589488150 /nfs/dbraw/zinc/48/81/50/589488150.db2.gz UTQVZALKVYXJRJ-AWEZNQCLSA-N 1 0 246.398 3.595 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)CCc1cccnc1 ZINC000866365285 589488313 /nfs/dbraw/zinc/48/83/13/589488313.db2.gz UTQVZALKVYXJRJ-CQSZACIVSA-N 1 0 246.398 3.595 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](c1ccccn1)C(C)C ZINC000866367326 589488323 /nfs/dbraw/zinc/48/83/23/589488323.db2.gz HUEVCQJTFIWGNZ-AWEZNQCLSA-N 1 0 232.371 3.581 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866367327 589488348 /nfs/dbraw/zinc/48/83/48/589488348.db2.gz HUEVCQJTFIWGNZ-CQSZACIVSA-N 1 0 232.371 3.581 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866384273 589489010 /nfs/dbraw/zinc/48/90/10/589489010.db2.gz JICZGCOIRIVPSP-HNNXBMFYSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)CCc1cccnc1 ZINC000866384274 589488970 /nfs/dbraw/zinc/48/89/70/589488970.db2.gz JICZGCOIRIVPSP-OAHLLOKOSA-N 1 0 246.398 3.739 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866396324 589490005 /nfs/dbraw/zinc/49/00/05/589490005.db2.gz RYIKGODTOBAHSP-AWEZNQCLSA-N 1 0 246.398 3.595 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)CCc1cccnc1 ZINC000866396325 589490127 /nfs/dbraw/zinc/49/01/27/589490127.db2.gz RYIKGODTOBAHSP-CQSZACIVSA-N 1 0 246.398 3.595 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@]12C[C@H]1CCCC2 ZINC000866456712 589494646 /nfs/dbraw/zinc/49/46/46/589494646.db2.gz ZKLDRIZYENJSFT-RBZJEDDUSA-N 1 0 246.398 3.627 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@]12C[C@@H]1CCCC2 ZINC000866456713 589494661 /nfs/dbraw/zinc/49/46/61/589494661.db2.gz ZKLDRIZYENJSFT-RFBLXINOSA-N 1 0 246.398 3.627 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000866476232 589495618 /nfs/dbraw/zinc/49/56/18/589495618.db2.gz PSCPOVJEHSJYKI-CABCVRRESA-N 1 0 246.398 3.629 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000866476233 589495355 /nfs/dbraw/zinc/49/53/55/589495355.db2.gz PSCPOVJEHSJYKI-GJZGRUSLSA-N 1 0 246.398 3.629 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000866476234 589495537 /nfs/dbraw/zinc/49/55/37/589495537.db2.gz PSCPOVJEHSJYKI-HUUCEWRRSA-N 1 0 246.398 3.629 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000866476235 589495388 /nfs/dbraw/zinc/49/53/88/589495388.db2.gz PSCPOVJEHSJYKI-LSDHHAIUSA-N 1 0 246.398 3.629 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000866543333 589500000 /nfs/dbraw/zinc/50/00/00/589500000.db2.gz UWGRMAICMMJREB-GHMZBOCLSA-N 1 0 233.346 3.858 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000866543334 589500039 /nfs/dbraw/zinc/50/00/39/589500039.db2.gz UWGRMAICMMJREB-MNOVXSKESA-N 1 0 233.346 3.858 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000866543336 589500041 /nfs/dbraw/zinc/50/00/41/589500041.db2.gz UWGRMAICMMJREB-QWRGUYRKSA-N 1 0 233.346 3.858 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000866543338 589499891 /nfs/dbraw/zinc/49/98/91/589499891.db2.gz UWGRMAICMMJREB-WDEREUQCSA-N 1 0 233.346 3.858 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866609028 589504479 /nfs/dbraw/zinc/50/44/79/589504479.db2.gz KIDFLGCFBVDMCN-IJLUTSLNSA-N 1 0 247.304 3.828 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866609030 589504484 /nfs/dbraw/zinc/50/44/84/589504484.db2.gz KIDFLGCFBVDMCN-QJPTWQEYSA-N 1 0 247.304 3.828 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000866614176 589505039 /nfs/dbraw/zinc/50/50/39/589505039.db2.gz LLPPWTXFNMLBMB-KBPBESRZSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000866614178 589504858 /nfs/dbraw/zinc/50/48/58/589504858.db2.gz LLPPWTXFNMLBMB-KGLIPLIRSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000866614179 589504902 /nfs/dbraw/zinc/50/49/02/589504902.db2.gz LLPPWTXFNMLBMB-UONOGXRCSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000866614181 589505045 /nfs/dbraw/zinc/50/50/45/589505045.db2.gz LLPPWTXFNMLBMB-ZIAGYGMSSA-N 1 0 249.402 3.596 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866619070 589505516 /nfs/dbraw/zinc/50/55/16/589505516.db2.gz CPWDMCZKMOHXKV-NEPJUHHUSA-N 1 0 244.338 3.833 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000866619071 589505589 /nfs/dbraw/zinc/50/55/89/589505589.db2.gz CPWDMCZKMOHXKV-NWDGAFQWSA-N 1 0 244.338 3.833 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866619072 589505316 /nfs/dbraw/zinc/50/53/16/589505316.db2.gz CPWDMCZKMOHXKV-RYUDHWBXSA-N 1 0 244.338 3.833 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000866619073 589505384 /nfs/dbraw/zinc/50/53/84/589505384.db2.gz CPWDMCZKMOHXKV-VXGBXAGGSA-N 1 0 244.338 3.833 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1ccncc1 ZINC000871929804 589833745 /nfs/dbraw/zinc/83/37/45/589833745.db2.gz ARFKEBSBDSNYMB-CYBMUJFWSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ccncc1 ZINC000871929805 589834259 /nfs/dbraw/zinc/83/42/59/589834259.db2.gz ARFKEBSBDSNYMB-ZDUSSCGKSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cccnc1 ZINC000871930964 589833668 /nfs/dbraw/zinc/83/36/68/589833668.db2.gz YDJBQWMJGGBSMS-CYBMUJFWSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cccnc1 ZINC000871930965 589834290 /nfs/dbraw/zinc/83/42/90/589834290.db2.gz YDJBQWMJGGBSMS-ZDUSSCGKSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)CCC(F)(F)F ZINC000872044370 589859848 /nfs/dbraw/zinc/85/98/48/589859848.db2.gz AMZPOWKFUNARBN-NXEZZACHSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872044381 589859839 /nfs/dbraw/zinc/85/98/39/589859839.db2.gz AMZPOWKFUNARBN-UWVGGRQHSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)CCC(F)(F)F ZINC000872044382 589859732 /nfs/dbraw/zinc/85/97/32/589859732.db2.gz AMZPOWKFUNARBN-VHSXEESVSA-N 1 0 223.282 3.662 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872044384 589859743 /nfs/dbraw/zinc/85/97/43/589859743.db2.gz AMZPOWKFUNARBN-ZJUUUORDSA-N 1 0 223.282 3.662 20 30 BHEDRO C#CCCCC[NH2+][C@H](CC)CCC(F)(F)F ZINC000872049890 589860761 /nfs/dbraw/zinc/86/07/61/589860761.db2.gz WTFAXJLJMMXRPM-LLVKDONJSA-N 1 0 235.293 3.501 20 30 BHEDRO C#CCCCC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872049891 589860713 /nfs/dbraw/zinc/86/07/13/589860713.db2.gz WTFAXJLJMMXRPM-NSHDSACASA-N 1 0 235.293 3.501 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872053425 589861251 /nfs/dbraw/zinc/86/12/51/589861251.db2.gz KCQISBJFIBAZJH-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872053426 589861497 /nfs/dbraw/zinc/86/14/97/589861497.db2.gz KCQISBJFIBAZJH-RRFJBIMHSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872053427 589861413 /nfs/dbraw/zinc/86/14/13/589861413.db2.gz KCQISBJFIBAZJH-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872053428 589861144 /nfs/dbraw/zinc/86/11/44/589861144.db2.gz KCQISBJFIBAZJH-ZNMIVQPWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872067662 589863660 /nfs/dbraw/zinc/86/36/60/589863660.db2.gz RKFZYWFVIWMFIG-JTQLQIEISA-N 1 0 223.282 3.663 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)CCC(F)(F)F ZINC000872067663 589863546 /nfs/dbraw/zinc/86/35/46/589863546.db2.gz RKFZYWFVIWMFIG-SNVBAGLBSA-N 1 0 223.282 3.663 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(O)c1F ZINC000872068405 589863350 /nfs/dbraw/zinc/86/33/50/589863350.db2.gz HGDRTBOCNAONRX-GHMZBOCLSA-N 1 0 237.318 3.537 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(O)c1F ZINC000872068407 589863140 /nfs/dbraw/zinc/86/31/40/589863140.db2.gz HGDRTBOCNAONRX-MNOVXSKESA-N 1 0 237.318 3.537 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872068409 589863651 /nfs/dbraw/zinc/86/36/51/589863651.db2.gz HGDRTBOCNAONRX-QWRGUYRKSA-N 1 0 237.318 3.537 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872068411 589863841 /nfs/dbraw/zinc/86/38/41/589863841.db2.gz HGDRTBOCNAONRX-WDEREUQCSA-N 1 0 237.318 3.537 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)CC ZINC000872074496 589864802 /nfs/dbraw/zinc/86/48/02/589864802.db2.gz FGICLADRYTUOSA-IHRRRGAJSA-N 1 0 236.403 3.873 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)CC ZINC000872074509 589864906 /nfs/dbraw/zinc/86/49/06/589864906.db2.gz FGICLADRYTUOSA-MELADBBJSA-N 1 0 236.403 3.873 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872075094 589864761 /nfs/dbraw/zinc/86/47/61/589864761.db2.gz NZLNVWBHWSRGNR-JTQLQIEISA-N 1 0 223.282 3.663 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)CCC(F)(F)F ZINC000872075095 589864837 /nfs/dbraw/zinc/86/48/37/589864837.db2.gz NZLNVWBHWSRGNR-SNVBAGLBSA-N 1 0 223.282 3.663 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872076551 589865708 /nfs/dbraw/zinc/86/57/08/589865708.db2.gz MZPRDNRTSINYML-JTQLQIEISA-N 1 0 237.309 3.909 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](CC)CCC(F)(F)F ZINC000872076552 589865484 /nfs/dbraw/zinc/86/54/84/589865484.db2.gz MZPRDNRTSINYML-SNVBAGLBSA-N 1 0 237.309 3.909 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872077481 589865672 /nfs/dbraw/zinc/86/56/72/589865672.db2.gz JFCHNOQHYDXQDJ-JTQLQIEISA-N 1 0 223.282 3.663 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)CCC(F)(F)F ZINC000872077482 589860025 /nfs/dbraw/zinc/86/00/25/589860025.db2.gz JFCHNOQHYDXQDJ-SNVBAGLBSA-N 1 0 223.282 3.663 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]C1CCC(OC)CC1 ZINC000872099165 589869196 /nfs/dbraw/zinc/86/91/96/589869196.db2.gz AMHAUJXLTIGKHQ-UHFFFAOYSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1nccn1CC ZINC000872099220 589869064 /nfs/dbraw/zinc/86/90/64/589869064.db2.gz AYGOMBSWYSIPHY-CYBMUJFWSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1nccn1CC ZINC000872099221 589869120 /nfs/dbraw/zinc/86/91/20/589869120.db2.gz AYGOMBSWYSIPHY-ZDUSSCGKSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cncs1 ZINC000872099498 589869143 /nfs/dbraw/zinc/86/91/43/589869143.db2.gz CCDDEGVJJPOPCL-LLVKDONJSA-N 1 0 238.400 3.786 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cncs1 ZINC000872099499 589869524 /nfs/dbraw/zinc/86/95/24/589869524.db2.gz CCDDEGVJJPOPCL-NSHDSACASA-N 1 0 238.400 3.786 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cc(C)on1 ZINC000872099572 589869604 /nfs/dbraw/zinc/86/96/04/589869604.db2.gz CWFNJHAUKSACNV-GFCCVEGCSA-N 1 0 236.359 3.626 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000872099573 589869307 /nfs/dbraw/zinc/86/93/07/589869307.db2.gz CWFNJHAUKSACNV-LBPRGKRZSA-N 1 0 236.359 3.626 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000872099580 589869130 /nfs/dbraw/zinc/86/91/30/589869130.db2.gz CZHOMYRJKDGLAC-BTTYYORXSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000872099581 589869150 /nfs/dbraw/zinc/86/91/50/589869150.db2.gz CZHOMYRJKDGLAC-WDNDVIMCSA-N 1 0 239.403 3.524 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1nccs1 ZINC000872100142 589870070 /nfs/dbraw/zinc/87/00/70/589870070.db2.gz HLXWPZLPTHFFQG-LLVKDONJSA-N 1 0 238.400 3.786 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1nccs1 ZINC000872100143 589870340 /nfs/dbraw/zinc/87/03/40/589870340.db2.gz HLXWPZLPTHFFQG-NSHDSACASA-N 1 0 238.400 3.786 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872100847 589870031 /nfs/dbraw/zinc/87/00/31/589870031.db2.gz KOAXRHIQXWIEBE-CYBMUJFWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872100848 589870544 /nfs/dbraw/zinc/87/05/44/589870544.db2.gz KOAXRHIQXWIEBE-ZDUSSCGKSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1ccccn1 ZINC000872101708 589869874 /nfs/dbraw/zinc/86/98/74/589869874.db2.gz NDHRRTFLCCMSLJ-CYBMUJFWSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ccccn1 ZINC000872101709 636564567 /nfs/dbraw/zinc/56/45/67/636564567.db2.gz NDHRRTFLCCMSLJ-ZDUSSCGKSA-N 1 0 232.371 3.725 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000872101896 589870528 /nfs/dbraw/zinc/87/05/28/589870528.db2.gz OVWFIDHMQWQHDF-KBPBESRZSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000872102071 589869936 /nfs/dbraw/zinc/86/99/36/589869936.db2.gz OVWFIDHMQWQHDF-KGLIPLIRSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000872102073 589870334 /nfs/dbraw/zinc/87/03/34/589870334.db2.gz OVWFIDHMQWQHDF-UONOGXRCSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000872102075 589870563 /nfs/dbraw/zinc/87/05/63/589870563.db2.gz OVWFIDHMQWQHDF-ZIAGYGMSSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000872102721 589871164 /nfs/dbraw/zinc/87/11/64/589871164.db2.gz SJEFILITNHNIRO-CYBMUJFWSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000872102722 589871642 /nfs/dbraw/zinc/87/16/42/589871642.db2.gz SJEFILITNHNIRO-ZDUSSCGKSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cscn1 ZINC000872102751 589871105 /nfs/dbraw/zinc/87/11/05/589871105.db2.gz SWXBLDMHVTXOLY-LLVKDONJSA-N 1 0 238.400 3.786 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cscn1 ZINC000872102752 589870981 /nfs/dbraw/zinc/87/09/81/589870981.db2.gz SWXBLDMHVTXOLY-NSHDSACASA-N 1 0 238.400 3.786 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000872103371 589870837 /nfs/dbraw/zinc/87/08/37/589870837.db2.gz ZBZRRNVTUQEHIH-KBPBESRZSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000872103372 589871587 /nfs/dbraw/zinc/87/15/87/589871587.db2.gz ZBZRRNVTUQEHIH-KGLIPLIRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000872103373 589871025 /nfs/dbraw/zinc/87/10/25/589871025.db2.gz ZBZRRNVTUQEHIH-UONOGXRCSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000872103374 589870975 /nfs/dbraw/zinc/87/09/75/589870975.db2.gz ZBZRRNVTUQEHIH-ZIAGYGMSSA-N 1 0 239.403 3.526 20 30 BHEDRO CC1(C#N)CCC([NH2+]CCC[C@H]2C=CCC2)CC1 ZINC000872106318 589872570 /nfs/dbraw/zinc/87/25/70/589872570.db2.gz ILZBEBHXFRCLQA-FHERZECASA-N 1 0 246.398 3.795 20 30 BHEDRO CC1(C#N)CCC([NH2+]CCC[C@@H]2C=CCC2)CC1 ZINC000872106319 589872943 /nfs/dbraw/zinc/87/29/43/589872943.db2.gz ILZBEBHXFRCLQA-QQFBHYJXSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1ncc(Cl)s1 ZINC000872115109 589874932 /nfs/dbraw/zinc/87/49/32/589874932.db2.gz HLEDJSYWNVLZNV-SECBINFHSA-N 1 0 244.791 3.631 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1ncc(Cl)s1 ZINC000872115111 589874979 /nfs/dbraw/zinc/87/49/79/589874979.db2.gz HLEDJSYWNVLZNV-VIFPVBQESA-N 1 0 244.791 3.631 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128085 589877748 /nfs/dbraw/zinc/87/77/48/589877748.db2.gz BTBIRIRLDBAKJE-NEPJUHHUSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128086 589877213 /nfs/dbraw/zinc/87/72/13/589877213.db2.gz BTBIRIRLDBAKJE-RYUDHWBXSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129487 589877670 /nfs/dbraw/zinc/87/76/70/589877670.db2.gz BTBIRIRLDBAKJE-NWDGAFQWSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129488 589877788 /nfs/dbraw/zinc/87/77/88/589877788.db2.gz BTBIRIRLDBAKJE-VXGBXAGGSA-N 1 0 248.326 3.600 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1nccnc1C ZINC000872133081 589878263 /nfs/dbraw/zinc/87/82/63/589878263.db2.gz JYHUPUCFXIECGM-KBPBESRZSA-N 1 0 247.386 3.571 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1nccnc1C ZINC000872133082 589878234 /nfs/dbraw/zinc/87/82/34/589878234.db2.gz JYHUPUCFXIECGM-KGLIPLIRSA-N 1 0 247.386 3.571 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1nccnc1C ZINC000872133097 589877960 /nfs/dbraw/zinc/87/79/60/589877960.db2.gz JYHUPUCFXIECGM-UONOGXRCSA-N 1 0 247.386 3.571 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1nccnc1C ZINC000872133098 589878177 /nfs/dbraw/zinc/87/81/77/589878177.db2.gz JYHUPUCFXIECGM-ZIAGYGMSSA-N 1 0 247.386 3.571 20 30 BHEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000872140348 589880988 /nfs/dbraw/zinc/88/09/88/589880988.db2.gz KGFDONWKKUCQPE-OBJOEFQTSA-N 1 0 233.380 3.591 20 30 BHEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccsc2)CC1 ZINC000872140349 589880938 /nfs/dbraw/zinc/88/09/38/589880938.db2.gz KGFDONWKKUCQPE-YRGRVCCFSA-N 1 0 233.380 3.591 20 30 BHEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccs2)CC1 ZINC000872140403 589881073 /nfs/dbraw/zinc/88/10/73/589881073.db2.gz MFNPGSJSRAIWQL-AVGNSLFASA-N 1 0 233.380 3.591 20 30 BHEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cccs2)CC1 ZINC000872140404 589880925 /nfs/dbraw/zinc/88/09/25/589880925.db2.gz MFNPGSJSRAIWQL-JHJVBQTASA-N 1 0 233.380 3.591 20 30 BHEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1C1CC1 ZINC000872603460 589956140 /nfs/dbraw/zinc/95/61/40/589956140.db2.gz XICDQCUPXQJGTK-OKILXGFUSA-N 1 0 240.350 3.646 20 30 BHEDRO C=CC[C@H](CC)[NH2+]Cc1cccc2ncccc12 ZINC000873120781 589985110 /nfs/dbraw/zinc/98/51/10/589985110.db2.gz ZWEXFCXXQCZCJZ-AWEZNQCLSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc2ncccc12 ZINC000873120782 589984739 /nfs/dbraw/zinc/98/47/39/589984739.db2.gz ZWEXFCXXQCZCJZ-CQSZACIVSA-N 1 0 240.350 3.679 20 30 BHEDRO C=CC(C)(C)C[NH2+]Cc1cccc2ncccc12 ZINC000873131579 589985291 /nfs/dbraw/zinc/98/52/91/589985291.db2.gz PNQPOZBRSFEYHX-UHFFFAOYSA-N 1 0 240.350 3.537 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1cncn1C(C)C ZINC000873151339 589986803 /nfs/dbraw/zinc/98/68/03/589986803.db2.gz FVKVJRBWQOMRMO-UHFFFAOYSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1csc(C)n1 ZINC000873151446 589987022 /nfs/dbraw/zinc/98/70/22/589987022.db2.gz KBOAHODCLJDYLI-UHFFFAOYSA-N 1 0 238.400 3.534 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1nccn1C(C)C ZINC000873151551 589987086 /nfs/dbraw/zinc/98/70/86/589987086.db2.gz KYYHRWCQWWZNFV-UHFFFAOYSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1scnc1C ZINC000873151575 589987083 /nfs/dbraw/zinc/98/70/83/589987083.db2.gz LTGGUOSQTHLQGT-UHFFFAOYSA-N 1 0 238.400 3.534 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1ccnn1C(C)C ZINC000873151830 589987016 /nfs/dbraw/zinc/98/70/16/589987016.db2.gz QCTNAZADJLUYLZ-UHFFFAOYSA-N 1 0 249.402 3.546 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1ncc(C)s1 ZINC000873151936 589987148 /nfs/dbraw/zinc/98/71/48/589987148.db2.gz SVICHVGIQMVPQY-UHFFFAOYSA-N 1 0 238.400 3.534 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1nc(C)cs1 ZINC000873151973 589987091 /nfs/dbraw/zinc/98/70/91/589987091.db2.gz UEFQWKJETUPVIB-UHFFFAOYSA-N 1 0 238.400 3.534 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1cnc(C)s1 ZINC000873152011 589984769 /nfs/dbraw/zinc/98/47/69/589984769.db2.gz VYUOPDYMMARTJA-UHFFFAOYSA-N 1 0 238.400 3.534 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]CC(C)(C)CCC#N ZINC000873152022 589986732 /nfs/dbraw/zinc/98/67/32/589986732.db2.gz WGMVZQPAYFDONP-UHFFFAOYSA-N 1 0 236.403 3.898 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000873152082 589987044 /nfs/dbraw/zinc/98/70/44/589987044.db2.gz XLVHLBAIECJKBY-UHFFFAOYSA-N 1 0 249.402 3.546 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CCC[C@H]1C=CCC1 ZINC000873154029 589987864 /nfs/dbraw/zinc/98/78/64/589987864.db2.gz PAVMJSCYDAJTQR-AWEZNQCLSA-N 1 0 234.387 3.652 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CCC[C@@H]1C=CCC1 ZINC000873154030 589987744 /nfs/dbraw/zinc/98/77/44/589987744.db2.gz PAVMJSCYDAJTQR-CQSZACIVSA-N 1 0 234.387 3.652 20 30 BHEDRO C#CCCCCCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000876513324 590206075 /nfs/dbraw/zinc/20/60/75/590206075.db2.gz KMQVALCSKCBCKY-INIZCTEOSA-N 1 0 244.382 3.735 20 30 BHEDRO C#CCCCCCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000876513325 590205908 /nfs/dbraw/zinc/20/59/08/590205908.db2.gz KMQVALCSKCBCKY-MRXNPFEDSA-N 1 0 244.382 3.735 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000876544222 590212489 /nfs/dbraw/zinc/21/24/89/590212489.db2.gz RABCPMUORLFDLO-KBPBESRZSA-N 1 0 242.366 3.546 20 30 BHEDRO C[C@H](CCC#N)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000876544223 590212572 /nfs/dbraw/zinc/21/25/72/590212572.db2.gz RABCPMUORLFDLO-KGLIPLIRSA-N 1 0 242.366 3.546 20 30 BHEDRO C[C@@H](CCC#N)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000876544224 590212887 /nfs/dbraw/zinc/21/28/87/590212887.db2.gz RABCPMUORLFDLO-UONOGXRCSA-N 1 0 242.366 3.546 20 30 BHEDRO C[C@H](CCC#N)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000876544225 590212494 /nfs/dbraw/zinc/21/24/94/590212494.db2.gz RABCPMUORLFDLO-ZIAGYGMSSA-N 1 0 242.366 3.546 20 30 BHEDRO C=CC[N@H+](Cc1cccc2ncccc12)C(C)C ZINC000876600472 590220957 /nfs/dbraw/zinc/22/09/57/590220957.db2.gz RMPJNMGEDHPGHF-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO C[C@@H](CCC#N)C[NH+]1CCC2(CCCC2)CC1 ZINC000876689233 590230585 /nfs/dbraw/zinc/23/05/85/590230585.db2.gz ATWHOZXEARIJGJ-AWEZNQCLSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@H](CCC#N)C[NH+]1CCC2(CCCC2)CC1 ZINC000876689241 590229936 /nfs/dbraw/zinc/22/99/36/590229936.db2.gz ATWHOZXEARIJGJ-CQSZACIVSA-N 1 0 234.387 3.582 20 30 BHEDRO C#CCCCCCC[NH+]1CCC(C(F)F)CC1 ZINC000876743960 590235890 /nfs/dbraw/zinc/23/58/90/590235890.db2.gz ODCUDKMWOCVMRW-UHFFFAOYSA-N 1 0 243.341 3.547 20 30 BHEDRO N#CC1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000876884580 590253371 /nfs/dbraw/zinc/25/33/71/590253371.db2.gz DVJRTPZYBMPITE-UHFFFAOYSA-N 1 0 234.387 3.771 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C1CCCCCCC1 ZINC000876886474 590253809 /nfs/dbraw/zinc/25/38/09/590253809.db2.gz WJICFTOBPBVVQH-CYBMUJFWSA-N 1 0 222.376 3.629 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C1CCCCCCC1 ZINC000876886483 590253413 /nfs/dbraw/zinc/25/34/13/590253413.db2.gz WJICFTOBPBVVQH-ZDUSSCGKSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000876897300 590255162 /nfs/dbraw/zinc/25/51/62/590255162.db2.gz IRVWRZKZKLXXMX-GHMZBOCLSA-N 1 0 219.319 3.590 20 30 BHEDRO CCCCCCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000876897308 590255058 /nfs/dbraw/zinc/25/50/58/590255058.db2.gz IRVWRZKZKLXXMX-MNOVXSKESA-N 1 0 219.319 3.590 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000876897310 590255070 /nfs/dbraw/zinc/25/50/70/590255070.db2.gz IRVWRZKZKLXXMX-QWRGUYRKSA-N 1 0 219.319 3.590 20 30 BHEDRO CCCCCCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000876897312 590255027 /nfs/dbraw/zinc/25/50/27/590255027.db2.gz IRVWRZKZKLXXMX-WDEREUQCSA-N 1 0 219.319 3.590 20 30 BHEDRO CCCCCCCC[NH2+]C1CC(n2cccn2)C1 ZINC000876898223 590255523 /nfs/dbraw/zinc/25/55/23/590255523.db2.gz PQXNUOUSULMVLQ-UHFFFAOYSA-N 1 0 249.402 3.537 20 30 BHEDRO CCCCCCC[NH2+]C1CCC(C#N)CC1 ZINC000876898519 590255496 /nfs/dbraw/zinc/25/54/96/590255496.db2.gz SHWBRKFHVZEWIO-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO CCCCCCC[NH2+]Cc1cc(C2CC2)no1 ZINC000876898609 590255543 /nfs/dbraw/zinc/25/55/43/590255543.db2.gz VJJSJFCLHGRZRI-UHFFFAOYSA-N 1 0 236.359 3.612 20 30 BHEDRO CCCCCC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000876905676 590256161 /nfs/dbraw/zinc/25/61/61/590256161.db2.gz WNAAADVJAGCWRW-KBPBESRZSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCCC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000876905677 590256187 /nfs/dbraw/zinc/25/61/87/590256187.db2.gz WNAAADVJAGCWRW-KGLIPLIRSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCCC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000876905678 590255859 /nfs/dbraw/zinc/25/58/59/590255859.db2.gz WNAAADVJAGCWRW-UONOGXRCSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCCC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000876905679 590256014 /nfs/dbraw/zinc/25/60/14/590256014.db2.gz WNAAADVJAGCWRW-ZIAGYGMSSA-N 1 0 224.392 3.875 20 30 BHEDRO CCCCC[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000876906391 590255861 /nfs/dbraw/zinc/25/58/61/590255861.db2.gz YIUXTFFLCABDLN-HSBZDZAISA-N 1 0 222.376 3.627 20 30 BHEDRO CCCCC[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000876906392 590256035 /nfs/dbraw/zinc/25/60/35/590256035.db2.gz YIUXTFFLCABDLN-IYXRBSQSSA-N 1 0 222.376 3.627 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C#N)CC2)s1 ZINC000876964574 590261843 /nfs/dbraw/zinc/26/18/43/590261843.db2.gz KDEOFLOSSGNJCD-HIFPTAJRSA-N 1 0 248.395 3.790 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C#N)CC2)s1 ZINC000876964575 590262007 /nfs/dbraw/zinc/26/20/07/590262007.db2.gz KDEOFLOSSGNJCD-PNESKVBLSA-N 1 0 248.395 3.790 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)s1 ZINC000876964647 590262039 /nfs/dbraw/zinc/26/20/39/590262039.db2.gz LXRKFCGELBNUHB-CMPLNLGQSA-N 1 0 236.384 3.647 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CCC#N)s1 ZINC000876964648 590261949 /nfs/dbraw/zinc/26/19/49/590261949.db2.gz LXRKFCGELBNUHB-JQWIXIFHSA-N 1 0 236.384 3.647 20 30 BHEDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CCC#N)s1 ZINC000876964649 590262130 /nfs/dbraw/zinc/26/21/30/590262130.db2.gz LXRKFCGELBNUHB-PWSUYJOCSA-N 1 0 236.384 3.647 20 30 BHEDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CCC#N)s1 ZINC000876964650 590262106 /nfs/dbraw/zinc/26/21/06/590262106.db2.gz LXRKFCGELBNUHB-ZYHUDNBSSA-N 1 0 236.384 3.647 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000877007337 590268481 /nfs/dbraw/zinc/26/84/81/590268481.db2.gz MGBAVLRATJAYKR-GFCCVEGCSA-N 1 0 248.345 3.590 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000877007338 590268298 /nfs/dbraw/zinc/26/82/98/590268298.db2.gz MGBAVLRATJAYKR-LBPRGKRZSA-N 1 0 248.345 3.590 20 30 BHEDRO C#CCCCCCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000877020934 590270068 /nfs/dbraw/zinc/27/00/68/590270068.db2.gz JDTXCBMMKXQOMP-AWEZNQCLSA-N 1 0 245.366 3.627 20 30 BHEDRO C#CCCCCCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000877020935 590269725 /nfs/dbraw/zinc/26/97/25/590269725.db2.gz JDTXCBMMKXQOMP-CQSZACIVSA-N 1 0 245.366 3.627 20 30 BHEDRO C#CCCCCCC[NH2+][C@H](C)c1c(C)noc1C ZINC000877046464 590274052 /nfs/dbraw/zinc/27/40/52/590274052.db2.gz MCKIIICPEPALIP-GFCCVEGCSA-N 1 0 248.370 3.526 20 30 BHEDRO C#CCCCCCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000877046466 590274073 /nfs/dbraw/zinc/27/40/73/590274073.db2.gz MCKIIICPEPALIP-LBPRGKRZSA-N 1 0 248.370 3.526 20 30 BHEDRO CC[C@@](C)([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000877046524 590273869 /nfs/dbraw/zinc/27/38/69/590273869.db2.gz OUXGHHMIAGCJDT-GDBMZVCRSA-N 1 0 244.382 3.841 20 30 BHEDRO CC[C@@](C)([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000877046525 590273917 /nfs/dbraw/zinc/27/39/17/590273917.db2.gz OUXGHHMIAGCJDT-GOEBONIOSA-N 1 0 244.382 3.841 20 30 BHEDRO CC[C@](C)([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000877046526 590274079 /nfs/dbraw/zinc/27/40/79/590274079.db2.gz OUXGHHMIAGCJDT-HOCLYGCPSA-N 1 0 244.382 3.841 20 30 BHEDRO CC[C@](C)([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000877046527 590274040 /nfs/dbraw/zinc/27/40/40/590274040.db2.gz OUXGHHMIAGCJDT-ZBFHGGJFSA-N 1 0 244.382 3.841 20 30 BHEDRO C#CCCCCCC[NH2+][C@@H](CC)c1ccncc1 ZINC000877058753 584889432 /nfs/dbraw/zinc/88/94/32/584889432.db2.gz LYFPQOKOVBOCAX-INIZCTEOSA-N 1 0 244.382 3.706 20 30 BHEDRO C#CCCCCCC[NH2+][C@H](CC)c1ccncc1 ZINC000877058754 584889360 /nfs/dbraw/zinc/88/93/60/584889360.db2.gz LYFPQOKOVBOCAX-MRXNPFEDSA-N 1 0 244.382 3.706 20 30 BHEDRO C#CCCCCCC[NH2+]CCCC(F)(F)F ZINC000877062659 590276706 /nfs/dbraw/zinc/27/67/06/590276706.db2.gz BJXHAYFUASWZSY-UHFFFAOYSA-N 1 0 235.293 3.502 20 30 BHEDRO C#CCCCCCC[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000877088379 590280793 /nfs/dbraw/zinc/28/07/93/590280793.db2.gz DYJUPJVEGGDMAK-CYBMUJFWSA-N 1 0 243.341 3.738 20 30 BHEDRO C#CCCCCCC[NH2+][C@H]1CCCC(F)(F)C1 ZINC000877088380 590281077 /nfs/dbraw/zinc/28/10/77/590281077.db2.gz DYJUPJVEGGDMAK-ZDUSSCGKSA-N 1 0 243.341 3.738 20 30 BHEDRO C#CCCCCCC[NH2+]C1CCC(F)(F)CC1 ZINC000877125570 590290078 /nfs/dbraw/zinc/29/00/78/590290078.db2.gz PJQFZKUAMSXQDM-UHFFFAOYSA-N 1 0 243.341 3.738 20 30 BHEDRO C#CCCCCCC[NH2+][C@@H](C)c1cnccc1C ZINC000877135837 590291157 /nfs/dbraw/zinc/29/11/57/590291157.db2.gz NUWJNEXHVYVAPW-HNNXBMFYSA-N 1 0 244.382 3.624 20 30 BHEDRO C#CCCCCCC[NH2+][C@H](C)c1cnccc1C ZINC000877135838 590291016 /nfs/dbraw/zinc/29/10/16/590291016.db2.gz NUWJNEXHVYVAPW-OAHLLOKOSA-N 1 0 244.382 3.624 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000877136042 590291091 /nfs/dbraw/zinc/29/10/91/590291091.db2.gz WHEJNJIPFQACHZ-GFCCVEGCSA-N 1 0 248.370 3.777 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000877136043 590291233 /nfs/dbraw/zinc/29/12/33/590291233.db2.gz WHEJNJIPFQACHZ-LBPRGKRZSA-N 1 0 248.370 3.777 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877136442 590291231 /nfs/dbraw/zinc/29/12/31/590291231.db2.gz HKCJFDAAPQIDGY-NXEZZACHSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877136443 590291121 /nfs/dbraw/zinc/29/11/21/590291121.db2.gz HKCJFDAAPQIDGY-UWVGGRQHSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877136444 590291232 /nfs/dbraw/zinc/29/12/32/590291232.db2.gz HKCJFDAAPQIDGY-VHSXEESVSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877136445 590290964 /nfs/dbraw/zinc/29/09/64/590290964.db2.gz HKCJFDAAPQIDGY-ZJUUUORDSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877137533 590290852 /nfs/dbraw/zinc/29/08/52/590290852.db2.gz XGMJKPMRQDULIW-SECBINFHSA-N 1 0 244.791 3.631 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877137534 590291197 /nfs/dbraw/zinc/29/11/97/590291197.db2.gz XGMJKPMRQDULIW-VIFPVBQESA-N 1 0 244.791 3.631 20 30 BHEDRO C#CCCCCCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000877316946 590314341 /nfs/dbraw/zinc/31/43/41/590314341.db2.gz DNCARFNLIQTEFA-HNNXBMFYSA-N 1 0 244.382 3.658 20 30 BHEDRO C#CCCCCCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000877317046 590314104 /nfs/dbraw/zinc/31/41/04/590314104.db2.gz DNCARFNLIQTEFA-OAHLLOKOSA-N 1 0 244.382 3.658 20 30 BHEDRO C#CCCCCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000877317419 590314352 /nfs/dbraw/zinc/31/43/52/590314352.db2.gz NBXBKGCVVLRMKS-HNNXBMFYSA-N 1 0 244.382 3.658 20 30 BHEDRO C#CCCCCCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000877317420 590314371 /nfs/dbraw/zinc/31/43/71/590314371.db2.gz NBXBKGCVVLRMKS-OAHLLOKOSA-N 1 0 244.382 3.658 20 30 BHEDRO C#CCCCCCC[NH2+][C@H](CC)CC(F)(F)F ZINC000877353772 590319049 /nfs/dbraw/zinc/31/90/49/590319049.db2.gz VAYOKCORIBTHOI-GFCCVEGCSA-N 1 0 249.320 3.891 20 30 BHEDRO C#CCCCCCC[NH2+][C@@H](CC)CC(F)(F)F ZINC000877353773 590318887 /nfs/dbraw/zinc/31/88/87/590318887.db2.gz VAYOKCORIBTHOI-LBPRGKRZSA-N 1 0 249.320 3.891 20 30 BHEDRO C#CCCCCCC[NH2+][C@H](C)CC(F)(F)F ZINC000877384260 590320642 /nfs/dbraw/zinc/32/06/42/590320642.db2.gz XGROOXCAFHNNOO-LLVKDONJSA-N 1 0 235.293 3.501 20 30 BHEDRO C#CCCCCCC[NH2+][C@@H](C)CC(F)(F)F ZINC000877384266 590320863 /nfs/dbraw/zinc/32/08/63/590320863.db2.gz XGROOXCAFHNNOO-NSHDSACASA-N 1 0 235.293 3.501 20 30 BHEDRO C#CCCCCCC[NH2+]C(C)(C)CC(F)(F)F ZINC000877461005 590331437 /nfs/dbraw/zinc/33/14/37/590331437.db2.gz VWBSCSCEHOVKMR-UHFFFAOYSA-N 1 0 249.320 3.891 20 30 BHEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000877462171 590332921 /nfs/dbraw/zinc/33/29/21/590332921.db2.gz LKNQHIJDCPQGFR-AWEZNQCLSA-N 1 0 234.387 3.582 20 30 BHEDRO C[C@H](CCC#N)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000877462173 590332246 /nfs/dbraw/zinc/33/22/46/590332246.db2.gz LKNQHIJDCPQGFR-CQSZACIVSA-N 1 0 234.387 3.582 20 30 BHEDRO C#CCCCCCC[NH2+]CC(C)(C)C(F)(F)F ZINC000877502709 590342454 /nfs/dbraw/zinc/34/24/54/590342454.db2.gz QOJNVXTYPVRLKF-UHFFFAOYSA-N 1 0 249.320 3.748 20 30 BHEDRO C#CCCCCCC[NH2+]CC1(C(F)(F)F)CC1 ZINC000877520449 590346191 /nfs/dbraw/zinc/34/61/91/590346191.db2.gz XMROFCHJSVLTIW-UHFFFAOYSA-N 1 0 247.304 3.502 20 30 BHEDRO C=CCCCCCC[NH2+]C1CCC(C#N)CC1 ZINC000877521686 590345746 /nfs/dbraw/zinc/34/57/46/590345746.db2.gz HBTRFOPMAAVQCP-UHFFFAOYSA-N 1 0 234.387 3.795 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000877522109 590346899 /nfs/dbraw/zinc/34/68/99/590346899.db2.gz MWJRIIJBGKGWAK-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000877522113 590347022 /nfs/dbraw/zinc/34/70/22/590347022.db2.gz MWJRIIJBGKGWAK-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000877522115 590346384 /nfs/dbraw/zinc/34/63/84/590346384.db2.gz MWJRIIJBGKGWAK-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000877522117 590347294 /nfs/dbraw/zinc/34/72/94/590347294.db2.gz MWJRIIJBGKGWAK-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCCCC[NH2+]Cc1cc(C2CC2)no1 ZINC000877522705 590347192 /nfs/dbraw/zinc/34/71/92/590347192.db2.gz QEKJFLHXIHNIEG-UHFFFAOYSA-N 1 0 248.370 3.778 20 30 BHEDRO C#CCCCCCCN[C@H](C1CC1)C(F)(F)F ZINC000877535003 590349589 /nfs/dbraw/zinc/34/95/89/590349589.db2.gz JGERMRSOXRQPRU-GFCCVEGCSA-N 1 0 247.304 3.501 20 30 BHEDRO C#CCCCCCCN[C@@H](C1CC1)C(F)(F)F ZINC000877535004 590350166 /nfs/dbraw/zinc/35/01/66/590350166.db2.gz JGERMRSOXRQPRU-LBPRGKRZSA-N 1 0 247.304 3.501 20 30 BHEDRO C#CCCCCCC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000877539371 590350536 /nfs/dbraw/zinc/35/05/36/590350536.db2.gz LBDGWNWVNWQRPN-CYBMUJFWSA-N 1 0 243.341 3.547 20 30 BHEDRO C#CCCCCCC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000877539372 590351097 /nfs/dbraw/zinc/35/10/97/590351097.db2.gz LBDGWNWVNWQRPN-ZDUSSCGKSA-N 1 0 243.341 3.547 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1ncc(C)o1 ZINC000877539968 590351309 /nfs/dbraw/zinc/35/13/09/590351309.db2.gz RKMKSESLHASFLY-UHFFFAOYSA-N 1 0 236.359 3.599 20 30 BHEDRO C#CCCCCCC[NH2+]CCCC(C)(F)F ZINC000877557505 590357288 /nfs/dbraw/zinc/35/72/88/590357288.db2.gz MXAZMWMAFSJSCL-UHFFFAOYSA-N 1 0 231.330 3.595 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1conc1C ZINC000877563046 590360278 /nfs/dbraw/zinc/36/02/78/590360278.db2.gz FQNBGJASPVDNIE-GFCCVEGCSA-N 1 0 236.359 3.598 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]Cc1conc1C ZINC000877563049 590359798 /nfs/dbraw/zinc/35/97/98/590359798.db2.gz FQNBGJASPVDNIE-LBPRGKRZSA-N 1 0 236.359 3.598 20 30 BHEDRO C#CCCCCCC[NH2+]C[C@H]1CCCC1(F)F ZINC000877565648 590361019 /nfs/dbraw/zinc/36/10/19/590361019.db2.gz LVIAQMSXDFHVDI-CYBMUJFWSA-N 1 0 243.341 3.595 20 30 BHEDRO C#CCCCCCC[NH2+]C[C@@H]1CCCC1(F)F ZINC000877565649 590361207 /nfs/dbraw/zinc/36/12/07/590361207.db2.gz LVIAQMSXDFHVDI-ZDUSSCGKSA-N 1 0 243.341 3.595 20 30 BHEDRO C[C@@H](CCC#N)C[NH+]1CCCCCCCC1 ZINC000877569176 590361717 /nfs/dbraw/zinc/36/17/17/590361717.db2.gz IUNSOPFSWRXVOV-AWEZNQCLSA-N 1 0 222.376 3.582 20 30 BHEDRO C[C@H](CCC#N)C[NH+]1CCCCCCCC1 ZINC000877569177 590361472 /nfs/dbraw/zinc/36/14/72/590361472.db2.gz IUNSOPFSWRXVOV-CQSZACIVSA-N 1 0 222.376 3.582 20 30 BHEDRO C#CCCCCCC[NH2+]CCC1CC(F)(F)C1 ZINC000877577746 590363756 /nfs/dbraw/zinc/36/37/56/590363756.db2.gz IGPYAPUDQDHYGP-UHFFFAOYSA-N 1 0 243.341 3.595 20 30 BHEDRO C#CCCCCCC[NH2+]C[C@H](C)CC(F)(F)F ZINC000877589742 590369006 /nfs/dbraw/zinc/36/90/06/590369006.db2.gz QSTKLCNTBFWJON-GFCCVEGCSA-N 1 0 249.320 3.748 20 30 BHEDRO C#CCCCCCC[NH2+]C[C@@H](C)CC(F)(F)F ZINC000877589743 590369131 /nfs/dbraw/zinc/36/91/31/590369131.db2.gz QSTKLCNTBFWJON-LBPRGKRZSA-N 1 0 249.320 3.748 20 30 BHEDRO C=CCCCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877617944 590375814 /nfs/dbraw/zinc/37/58/14/590375814.db2.gz AENQFPGLPPCYLU-JTQLQIEISA-N 1 0 236.186 3.516 20 30 BHEDRO C=CCCCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877617945 590376035 /nfs/dbraw/zinc/37/60/35/590376035.db2.gz AENQFPGLPPCYLU-SNVBAGLBSA-N 1 0 236.186 3.516 20 30 BHEDRO C=CCCCCC[NH2+]Cc1nc(Cl)cs1 ZINC000877618578 590375935 /nfs/dbraw/zinc/37/59/35/590375935.db2.gz ZQTDVCUJXCEISM-UHFFFAOYSA-N 1 0 244.791 3.633 20 30 BHEDRO C#CCCCCCC[NH2+]CC[C@]1(C)CC1(F)F ZINC000877630822 590378447 /nfs/dbraw/zinc/37/84/47/590378447.db2.gz NJUPKFXQQJFKPB-CYBMUJFWSA-N 1 0 243.341 3.595 20 30 BHEDRO C#CCCCCCC[NH2+]CC[C@@]1(C)CC1(F)F ZINC000877630823 590378341 /nfs/dbraw/zinc/37/83/41/590378341.db2.gz NJUPKFXQQJFKPB-ZDUSSCGKSA-N 1 0 243.341 3.595 20 30 BHEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877640658 590381820 /nfs/dbraw/zinc/38/18/20/590381820.db2.gz CMZQFKTYHCVBED-SECBINFHSA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCCC(C)(C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877640659 590381249 /nfs/dbraw/zinc/38/12/49/590381249.db2.gz CMZQFKTYHCVBED-VIFPVBQESA-N 1 0 236.186 3.515 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1nc(Cl)cs1 ZINC000877641362 590382328 /nfs/dbraw/zinc/38/23/28/590382328.db2.gz SDIAMHFLRNWMAA-UHFFFAOYSA-N 1 0 244.791 3.631 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C1(C)CCC(C)(C)CC1 ZINC000877655818 590385469 /nfs/dbraw/zinc/38/54/69/590385469.db2.gz LUXBYVSTJVBQSB-CYBMUJFWSA-N 1 0 236.403 3.875 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C1(C)CCC(C)(C)CC1 ZINC000877655819 590385773 /nfs/dbraw/zinc/38/57/73/590385773.db2.gz LUXBYVSTJVBQSB-ZDUSSCGKSA-N 1 0 236.403 3.875 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]C1CC(C(F)F)C1 ZINC000877673727 590390263 /nfs/dbraw/zinc/39/02/63/590390263.db2.gz KNTNMRSLNADBQV-UHFFFAOYSA-N 1 0 231.330 3.612 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000877686811 590392049 /nfs/dbraw/zinc/39/20/49/590392049.db2.gz YQVPJILUONIFHV-PHXIIHMKSA-N 1 0 246.398 3.627 20 30 BHEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@]12C[C@H]1CCCC2 ZINC000877686813 590392036 /nfs/dbraw/zinc/39/20/36/590392036.db2.gz YQVPJILUONIFHV-UHEATSNUSA-N 1 0 246.398 3.627 20 30 BHEDRO N#CC1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000877697862 590393723 /nfs/dbraw/zinc/39/37/23/590393723.db2.gz OMDPULCETKUZQD-UHFFFAOYSA-N 1 0 246.398 3.629 20 30 BHEDRO C#CCCCCCC[NH2+]CC(C)(C)C(C)(F)F ZINC000877730658 590403672 /nfs/dbraw/zinc/40/36/72/590403672.db2.gz CLBOCHYQSCBFPT-UHFFFAOYSA-N 1 0 245.357 3.841 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000877735413 590403844 /nfs/dbraw/zinc/40/38/44/590403844.db2.gz TURLELYBQXIPSG-GFCCVEGCSA-N 1 0 248.370 3.607 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000877735415 590403618 /nfs/dbraw/zinc/40/36/18/590403618.db2.gz TURLELYBQXIPSG-LBPRGKRZSA-N 1 0 248.370 3.607 20 30 BHEDRO C#CCCCCCC[NH2+][C@H](C)c1ccccc1O ZINC000877755398 583345614 /nfs/dbraw/zinc/34/56/14/583345614.db2.gz AHQBFRYQYXAQGZ-CQSZACIVSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877756271 590417922 /nfs/dbraw/zinc/41/79/22/590417922.db2.gz DVWRFHUWEWWICL-FRRDWIJNSA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877756272 590417909 /nfs/dbraw/zinc/41/79/09/590417909.db2.gz DVWRFHUWEWWICL-JHJVBQTASA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877756273 590417897 /nfs/dbraw/zinc/41/78/97/590417897.db2.gz DVWRFHUWEWWICL-RWMBFGLXSA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877756274 590417778 /nfs/dbraw/zinc/41/77/78/590417778.db2.gz DVWRFHUWEWWICL-YNEHKIRRSA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877757065 590417665 /nfs/dbraw/zinc/41/76/65/590417665.db2.gz DVWRFHUWEWWICL-AGIUHOORSA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877757066 590418153 /nfs/dbraw/zinc/41/81/53/590418153.db2.gz DVWRFHUWEWWICL-AVGNSLFASA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877757067 590417723 /nfs/dbraw/zinc/41/77/23/590417723.db2.gz DVWRFHUWEWWICL-UPJWGTAASA-N 1 0 233.355 3.644 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877757068 590417826 /nfs/dbraw/zinc/41/78/26/590417826.db2.gz DVWRFHUWEWWICL-XQQFMLRXSA-N 1 0 233.355 3.644 20 30 BHEDRO C#CCCCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000877757948 583345998 /nfs/dbraw/zinc/34/59/98/583345998.db2.gz AHQBFRYQYXAQGZ-AWEZNQCLSA-N 1 0 245.366 3.627 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]C1CC(C(F)F)C1 ZINC000877804022 590425162 /nfs/dbraw/zinc/42/51/62/590425162.db2.gz MCWYBXYEEMLUTL-UHFFFAOYSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(C2CC2)no1 ZINC000877804086 590424961 /nfs/dbraw/zinc/42/49/61/590424961.db2.gz NMUGYICHKIMAEE-UHFFFAOYSA-N 1 0 248.370 3.634 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]C[C@H](C)CCC#N ZINC000877804163 590424818 /nfs/dbraw/zinc/42/48/18/590424818.db2.gz PCCXUHPHGZMREP-CYBMUJFWSA-N 1 0 222.376 3.508 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]C[C@@H](C)CCC#N ZINC000877804164 590424634 /nfs/dbraw/zinc/42/46/34/590424634.db2.gz PCCXUHPHGZMREP-ZDUSSCGKSA-N 1 0 222.376 3.508 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000877804284 590425292 /nfs/dbraw/zinc/42/52/92/590425292.db2.gz RVFFHGIBBNCQPG-GHMZBOCLSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000877804285 590425346 /nfs/dbraw/zinc/42/53/46/590425346.db2.gz RVFFHGIBBNCQPG-MNOVXSKESA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000877804286 590424597 /nfs/dbraw/zinc/42/45/97/590424597.db2.gz RVFFHGIBBNCQPG-QWRGUYRKSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000877804287 590425337 /nfs/dbraw/zinc/42/53/37/590425337.db2.gz RVFFHGIBBNCQPG-WDEREUQCSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]C1CCC(C#N)CC1 ZINC000877804405 590424618 /nfs/dbraw/zinc/42/46/18/590424618.db2.gz VPSAGSYRKDQADY-UHFFFAOYSA-N 1 0 234.387 3.651 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000877804539 590425784 /nfs/dbraw/zinc/42/57/84/590425784.db2.gz ZNKYYXJXROYGQP-UHFFFAOYSA-N 1 0 248.370 3.634 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834006 590430686 /nfs/dbraw/zinc/43/06/86/590430686.db2.gz NTECYVIBLXTFQY-LLVKDONJSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834007 590430515 /nfs/dbraw/zinc/43/05/15/590430515.db2.gz NTECYVIBLXTFQY-NSHDSACASA-N 1 0 231.330 3.899 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC000877834275 590430626 /nfs/dbraw/zinc/43/06/26/590430626.db2.gz PLBIYVRGPQZXRA-GHMZBOCLSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC000877834277 590430402 /nfs/dbraw/zinc/43/04/02/590430402.db2.gz PLBIYVRGPQZXRA-MNOVXSKESA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC000877834279 590430935 /nfs/dbraw/zinc/43/09/35/590430935.db2.gz PLBIYVRGPQZXRA-QWRGUYRKSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC000877834280 590430395 /nfs/dbraw/zinc/43/03/95/590430395.db2.gz PLBIYVRGPQZXRA-WDEREUQCSA-N 1 0 229.314 3.509 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834386 590430837 /nfs/dbraw/zinc/43/08/37/590430837.db2.gz QQZCLGIDPWHMNO-JTQLQIEISA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834388 590430615 /nfs/dbraw/zinc/43/06/15/590430615.db2.gz QQZCLGIDPWHMNO-SNVBAGLBSA-N 1 0 217.303 3.509 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834450 590430623 /nfs/dbraw/zinc/43/06/23/590430623.db2.gz SELFCXITTWNHBG-LLVKDONJSA-N 1 0 231.330 3.899 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]C1(C)CC(F)(F)C1 ZINC000877834451 590430689 /nfs/dbraw/zinc/43/06/89/590430689.db2.gz SELFCXITTWNHBG-NSHDSACASA-N 1 0 231.330 3.899 20 30 BHEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000877902719 590443894 /nfs/dbraw/zinc/44/38/94/590443894.db2.gz FRTVJYLXBJRUTM-NEPJUHHUSA-N 1 0 221.369 3.850 20 30 BHEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000877902720 590443453 /nfs/dbraw/zinc/44/34/53/590443453.db2.gz FRTVJYLXBJRUTM-NWDGAFQWSA-N 1 0 221.369 3.850 20 30 BHEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000877902721 590443043 /nfs/dbraw/zinc/44/30/43/590443043.db2.gz FRTVJYLXBJRUTM-RYUDHWBXSA-N 1 0 221.369 3.850 20 30 BHEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000877902722 590443376 /nfs/dbraw/zinc/44/33/76/590443376.db2.gz FRTVJYLXBJRUTM-VXGBXAGGSA-N 1 0 221.369 3.850 20 30 BHEDRO C=CC[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000877940362 590452733 /nfs/dbraw/zinc/45/27/33/590452733.db2.gz ACSVWWULYSGBRM-LLVKDONJSA-N 1 0 246.379 3.693 20 30 BHEDRO C=CC[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000877940363 590453380 /nfs/dbraw/zinc/45/33/80/590453380.db2.gz ACSVWWULYSGBRM-NSHDSACASA-N 1 0 246.379 3.693 20 30 BHEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000877961941 583355164 /nfs/dbraw/zinc/35/51/64/583355164.db2.gz ZTLLZUOETRHBLE-AAEUAGOBSA-N 1 0 221.369 3.850 20 30 BHEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000877961942 583355539 /nfs/dbraw/zinc/35/55/39/583355539.db2.gz ZTLLZUOETRHBLE-DGCLKSJQSA-N 1 0 221.369 3.850 20 30 BHEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000877961943 583355038 /nfs/dbraw/zinc/35/50/38/583355038.db2.gz ZTLLZUOETRHBLE-WCQYABFASA-N 1 0 221.369 3.850 20 30 BHEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000877961944 583355822 /nfs/dbraw/zinc/35/58/22/583355822.db2.gz ZTLLZUOETRHBLE-YPMHNXCESA-N 1 0 221.369 3.850 20 30 BHEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000878166019 590512893 /nfs/dbraw/zinc/51/28/93/590512893.db2.gz JPSDWVADPBEPBF-BXUZGUMPSA-N 1 0 219.303 3.537 20 30 BHEDRO C=CC[C@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000878166020 590513149 /nfs/dbraw/zinc/51/31/49/590513149.db2.gz JPSDWVADPBEPBF-FZMZJTMJSA-N 1 0 219.303 3.537 20 30 BHEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000878166021 590512727 /nfs/dbraw/zinc/51/27/27/590512727.db2.gz JPSDWVADPBEPBF-RISCZKNCSA-N 1 0 219.303 3.537 20 30 BHEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000878166022 590513203 /nfs/dbraw/zinc/51/32/03/590513203.db2.gz JPSDWVADPBEPBF-SMDDNHRTSA-N 1 0 219.303 3.537 20 30 BHEDRO C#CCCCCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000878242258 590528478 /nfs/dbraw/zinc/52/84/78/590528478.db2.gz IUJBDNSIVWMROP-AWEZNQCLSA-N 1 0 245.366 3.579 20 30 BHEDRO C#CCCCCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000878242259 590528132 /nfs/dbraw/zinc/52/81/32/590528132.db2.gz IUJBDNSIVWMROP-CQSZACIVSA-N 1 0 245.366 3.579 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000878247570 590528216 /nfs/dbraw/zinc/52/82/16/590528216.db2.gz AZZQKYWSHPTDHK-KBPBESRZSA-N 1 0 232.371 3.641 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000878247571 590528152 /nfs/dbraw/zinc/52/81/52/590528152.db2.gz AZZQKYWSHPTDHK-KGLIPLIRSA-N 1 0 232.371 3.641 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000878247572 590528839 /nfs/dbraw/zinc/52/88/39/590528839.db2.gz AZZQKYWSHPTDHK-UONOGXRCSA-N 1 0 232.371 3.641 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000878247573 590528017 /nfs/dbraw/zinc/52/80/17/590528017.db2.gz AZZQKYWSHPTDHK-ZIAGYGMSSA-N 1 0 232.371 3.641 20 30 BHEDRO C#CCCCCC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000878315806 590541769 /nfs/dbraw/zinc/54/17/69/590541769.db2.gz CCZFQEGMUOFRKU-INIZCTEOSA-N 1 0 244.382 3.658 20 30 BHEDRO C#CCCCCC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000878315807 590541866 /nfs/dbraw/zinc/54/18/66/590541866.db2.gz CCZFQEGMUOFRKU-MRXNPFEDSA-N 1 0 244.382 3.658 20 30 BHEDRO CC[C@](C)([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000878361917 590554624 /nfs/dbraw/zinc/55/46/24/590554624.db2.gz IUVWCRIFRYCKEQ-HNNXBMFYSA-N 1 0 242.366 3.595 20 30 BHEDRO CC[C@@](C)([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000878361919 590554719 /nfs/dbraw/zinc/55/47/19/590554719.db2.gz IUVWCRIFRYCKEQ-OAHLLOKOSA-N 1 0 242.366 3.595 20 30 BHEDRO C=CC[C@H](C)[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000878401793 590560667 /nfs/dbraw/zinc/56/06/67/590560667.db2.gz XBORJNPESJWSEZ-AWEZNQCLSA-N 1 0 244.382 3.534 20 30 BHEDRO C=CC[C@@H](C)[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000878401794 590560974 /nfs/dbraw/zinc/56/09/74/590560974.db2.gz XBORJNPESJWSEZ-CQSZACIVSA-N 1 0 244.382 3.534 20 30 BHEDRO C#CCCCCC[NH2+][C@@H](CC)c1c(C)noc1C ZINC000878412981 590562865 /nfs/dbraw/zinc/56/28/65/590562865.db2.gz CQKRZZDRHIFHPB-AWEZNQCLSA-N 1 0 248.370 3.526 20 30 BHEDRO C#CCCCCC[NH2+][C@H](CC)c1c(C)noc1C ZINC000878412982 590562714 /nfs/dbraw/zinc/56/27/14/590562714.db2.gz CQKRZZDRHIFHPB-CQSZACIVSA-N 1 0 248.370 3.526 20 30 BHEDRO C=CC[C@H](C)[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000878440063 590568889 /nfs/dbraw/zinc/56/88/89/590568889.db2.gz BMKZLZWTBUEPJR-GXTWGEPZSA-N 1 0 249.354 3.528 20 30 BHEDRO C=CC[C@H](C)[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000878440064 590568916 /nfs/dbraw/zinc/56/89/16/590568916.db2.gz BMKZLZWTBUEPJR-JSGCOSHPSA-N 1 0 249.354 3.528 20 30 BHEDRO C=CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000878440065 590568578 /nfs/dbraw/zinc/56/85/78/590568578.db2.gz BMKZLZWTBUEPJR-OCCSQVGLSA-N 1 0 249.354 3.528 20 30 BHEDRO C=CC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000878440066 590568189 /nfs/dbraw/zinc/56/81/89/590568189.db2.gz BMKZLZWTBUEPJR-TZMCWYRMSA-N 1 0 249.354 3.528 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000878456332 583375671 /nfs/dbraw/zinc/37/56/71/583375671.db2.gz AQWCPSXJAPBCOR-GHMZBOCLSA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000878456335 583375953 /nfs/dbraw/zinc/37/59/53/583375953.db2.gz AQWCPSXJAPBCOR-MNOVXSKESA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000878456337 583373237 /nfs/dbraw/zinc/37/32/37/583373237.db2.gz AQWCPSXJAPBCOR-QWRGUYRKSA-N 1 0 246.379 3.912 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000878456346 583373476 /nfs/dbraw/zinc/37/34/76/583373476.db2.gz AQWCPSXJAPBCOR-WDEREUQCSA-N 1 0 246.379 3.912 20 30 BHEDRO C#CCCCCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000878480732 590576183 /nfs/dbraw/zinc/57/61/83/590576183.db2.gz HYEPBKNHDSSNCH-GFCCVEGCSA-N 1 0 249.320 3.747 20 30 BHEDRO C#CCCCCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000878480733 590576669 /nfs/dbraw/zinc/57/66/69/590576669.db2.gz HYEPBKNHDSSNCH-LBPRGKRZSA-N 1 0 249.320 3.747 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2nocc2C)CCCC1(C)C ZINC000878516841 590585414 /nfs/dbraw/zinc/58/54/14/590585414.db2.gz WOHAEDJIQIFVBA-AWEZNQCLSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2nocc2C)CCCC1(C)C ZINC000878516842 590585127 /nfs/dbraw/zinc/58/51/27/590585127.db2.gz WOHAEDJIQIFVBA-CQSZACIVSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@H](C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000878572897 645818579 /nfs/dbraw/zinc/81/85/79/645818579.db2.gz GUXUSHDTVRDDFK-JTQLQIEISA-N 1 0 235.293 3.615 20 30 BHEDRO C=CC[C@@H](C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000878572898 645819464 /nfs/dbraw/zinc/81/94/64/645819464.db2.gz GUXUSHDTVRDDFK-SNVBAGLBSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000878721689 590616268 /nfs/dbraw/zinc/61/62/68/590616268.db2.gz ZHDIUIPRLSTHCO-GHMZBOCLSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000878721695 590615998 /nfs/dbraw/zinc/61/59/98/590615998.db2.gz ZHDIUIPRLSTHCO-MNOVXSKESA-N 1 0 235.293 3.615 20 30 BHEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000878721697 590616199 /nfs/dbraw/zinc/61/61/99/590616199.db2.gz ZHDIUIPRLSTHCO-QWRGUYRKSA-N 1 0 235.293 3.615 20 30 BHEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000878721698 590615860 /nfs/dbraw/zinc/61/58/60/590615860.db2.gz ZHDIUIPRLSTHCO-WDEREUQCSA-N 1 0 235.293 3.615 20 30 BHEDRO C=C/C=C\CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000878728222 590617631 /nfs/dbraw/zinc/61/76/31/590617631.db2.gz KXWHOPSALHIEKK-GEXIGZQTSA-N 1 0 240.350 3.683 20 30 BHEDRO C=C/C=C/CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000878728224 590617695 /nfs/dbraw/zinc/61/76/95/590617695.db2.gz KXWHOPSALHIEKK-GJBLVYBDSA-N 1 0 240.350 3.683 20 30 BHEDRO C=C/C=C\CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000878728225 590617489 /nfs/dbraw/zinc/61/74/89/590617489.db2.gz KXWHOPSALHIEKK-GXMNPTEKSA-N 1 0 240.350 3.683 20 30 BHEDRO C=C/C=C/CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000878728226 590617719 /nfs/dbraw/zinc/61/77/19/590617719.db2.gz KXWHOPSALHIEKK-VBROQKIQSA-N 1 0 240.350 3.683 20 30 BHEDRO C=C/C=C/CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000878889087 590642411 /nfs/dbraw/zinc/64/24/11/590642411.db2.gz VPRWRVSNTJXTDL-AATRIKPKSA-N 1 0 240.350 3.515 20 30 BHEDRO C=C/C=C\CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000878889089 590642053 /nfs/dbraw/zinc/64/20/53/590642053.db2.gz VPRWRVSNTJXTDL-WAYWQWQTSA-N 1 0 240.350 3.515 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000878975174 590664813 /nfs/dbraw/zinc/66/48/13/590664813.db2.gz AMKHHHTUGAOMDD-AWEZNQCLSA-N 1 0 247.386 3.584 20 30 BHEDRO CCCCCCC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000878975175 590664673 /nfs/dbraw/zinc/66/46/73/590664673.db2.gz AMKHHHTUGAOMDD-CQSZACIVSA-N 1 0 247.386 3.584 20 30 BHEDRO C=CC[C@@H](C)[NH+]1CCC2(CCSCC2)CC1 ZINC000879201138 590713157 /nfs/dbraw/zinc/71/31/57/590713157.db2.gz YOMZGCAZTOQNCA-CYBMUJFWSA-N 1 0 239.428 3.560 20 30 BHEDRO C=CC[C@H](C)[NH+]1CCC2(CCSCC2)CC1 ZINC000879201139 590713647 /nfs/dbraw/zinc/71/36/47/590713647.db2.gz YOMZGCAZTOQNCA-ZDUSSCGKSA-N 1 0 239.428 3.560 20 30 BHEDRO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530219 590793369 /nfs/dbraw/zinc/79/33/69/590793369.db2.gz PLILHXCKINEHAM-GASCZTMLSA-N 1 0 246.398 3.604 20 30 BHEDRO C=CCCCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671325 590845702 /nfs/dbraw/zinc/84/57/02/590845702.db2.gz CEQYEONMVUILRY-VXGBXAGGSA-N 1 0 247.304 3.829 20 30 BHEDRO C=C(C)CC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724135 590857142 /nfs/dbraw/zinc/85/71/42/590857142.db2.gz BXSIQBOQVPNBSQ-UHFFFAOYSA-N 1 0 228.339 3.566 20 30 BHEDRO C=CC[C@@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879727525 590856483 /nfs/dbraw/zinc/85/64/83/590856483.db2.gz DRZNKDRLDJZMNU-GFCCVEGCSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879727526 590857223 /nfs/dbraw/zinc/85/72/23/590857223.db2.gz DRZNKDRLDJZMNU-LBPRGKRZSA-N 1 0 228.339 3.564 20 30 BHEDRO C[C@@]1(c2ccccc2)CCC[N@@H+]1CCCCC#N ZINC000880371808 591014415 /nfs/dbraw/zinc/01/44/15/591014415.db2.gz NYKUWURVCJXPJY-INIZCTEOSA-N 1 0 242.366 3.691 20 30 BHEDRO C[C@]1(c2ccccc2)CCC[N@@H+]1CCCCC#N ZINC000880371809 591014591 /nfs/dbraw/zinc/01/45/91/591014591.db2.gz NYKUWURVCJXPJY-MRXNPFEDSA-N 1 0 242.366 3.691 20 30 BHEDRO C=CCCC[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000880389429 591019557 /nfs/dbraw/zinc/01/95/57/591019557.db2.gz UHKBMCLZLFJEOU-INIZCTEOSA-N 1 0 242.366 3.977 20 30 BHEDRO C=CCCC[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000880389430 591020308 /nfs/dbraw/zinc/02/03/08/591020308.db2.gz UHKBMCLZLFJEOU-MRXNPFEDSA-N 1 0 242.366 3.977 20 30 BHEDRO C=CCC1([NH2+]Cc2nc(C(C)C)c[nH]2)CCCC1 ZINC000883175309 591562034 /nfs/dbraw/zinc/56/20/34/591562034.db2.gz DINJPPBGNSAJSS-UHFFFAOYSA-N 1 0 247.386 3.512 20 30 BHEDRO C=CCCC(C)(C)C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883194250 591569666 /nfs/dbraw/zinc/56/96/66/591569666.db2.gz QTFNERGATSSYHR-UHFFFAOYSA-N 1 0 249.402 3.615 20 30 BHEDRO C=CC(C)(C)CCC[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883203220 591571559 /nfs/dbraw/zinc/57/15/59/591571559.db2.gz WQANUOUOSQMKFH-UHFFFAOYSA-N 1 0 249.402 3.615 20 30 BHEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+]CCCF ZINC000883207284 591573132 /nfs/dbraw/zinc/57/31/32/591573132.db2.gz KCKMJOMVJVAWBL-HNNXBMFYSA-N 1 0 235.346 3.513 20 30 BHEDRO C=CCC[C@H](Cc1ccccc1)[NH2+]CCCF ZINC000883207285 591572978 /nfs/dbraw/zinc/57/29/78/591572978.db2.gz KCKMJOMVJVAWBL-OAHLLOKOSA-N 1 0 235.346 3.513 20 30 BHEDRO CC[C@H]([NH2+]CCCC#N)c1sccc1Cl ZINC000883215696 591575963 /nfs/dbraw/zinc/57/59/63/591575963.db2.gz DMIITZPNKZYNLZ-JTQLQIEISA-N 1 0 242.775 3.746 20 30 BHEDRO CC[C@@H]([NH2+]CCCC#N)c1sccc1Cl ZINC000883215697 591574975 /nfs/dbraw/zinc/57/49/75/591574975.db2.gz DMIITZPNKZYNLZ-SNVBAGLBSA-N 1 0 242.775 3.746 20 30 BHEDRO N#CC1CCC(C[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883221154 591576190 /nfs/dbraw/zinc/57/61/90/591576190.db2.gz VIISJTQNYZNIJP-NRXISQOPSA-N 1 0 246.398 3.629 20 30 BHEDRO N#CC1CCC(C[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883221155 591576151 /nfs/dbraw/zinc/57/61/51/591576151.db2.gz VIISJTQNYZNIJP-YMAMQOFZSA-N 1 0 246.398 3.629 20 30 BHEDRO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000883226347 591579306 /nfs/dbraw/zinc/57/93/06/591579306.db2.gz WPPNAMSBWPFBEQ-AJNGGQMLSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000883226348 591578559 /nfs/dbraw/zinc/57/85/59/591578559.db2.gz WPPNAMSBWPFBEQ-CBBWQLFWSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000883226349 591578957 /nfs/dbraw/zinc/57/89/57/591578957.db2.gz WPPNAMSBWPFBEQ-QPSCCSFWSA-N 1 0 248.414 3.873 20 30 BHEDRO C[C@H]1CCC(C)(C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000883226350 591579176 /nfs/dbraw/zinc/57/91/76/591579176.db2.gz WPPNAMSBWPFBEQ-ZQDZILKHSA-N 1 0 248.414 3.873 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000883246057 591587411 /nfs/dbraw/zinc/58/74/11/591587411.db2.gz ZCQPXYKKESZCIK-GDBMZVCRSA-N 1 0 240.350 3.565 20 30 BHEDRO CC[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000883246058 591587001 /nfs/dbraw/zinc/58/70/01/591587001.db2.gz ZCQPXYKKESZCIK-GOEBONIOSA-N 1 0 240.350 3.565 20 30 BHEDRO CC[C@H]([NH2+]C[C@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000883246059 591586692 /nfs/dbraw/zinc/58/66/92/591586692.db2.gz ZCQPXYKKESZCIK-HOCLYGCPSA-N 1 0 240.350 3.565 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000883246060 591586686 /nfs/dbraw/zinc/58/66/86/591586686.db2.gz ZCQPXYKKESZCIK-ZBFHGGJFSA-N 1 0 240.350 3.565 20 30 BHEDRO CC1(C#N)CCC([NH2+]CC2(CC3CC3)CC2)CC1 ZINC000883249139 591589136 /nfs/dbraw/zinc/58/91/36/591589136.db2.gz UUTSMXIVLPGPFH-UHFFFAOYSA-N 1 0 246.398 3.629 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000883250497 591590669 /nfs/dbraw/zinc/59/06/69/591590669.db2.gz BDGRDGYKGYOJRP-NEPJUHHUSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000883250498 591590565 /nfs/dbraw/zinc/59/05/65/591590565.db2.gz BDGRDGYKGYOJRP-NWDGAFQWSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000883250499 591591716 /nfs/dbraw/zinc/59/17/16/591591716.db2.gz BDGRDGYKGYOJRP-RYUDHWBXSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000883250500 591591281 /nfs/dbraw/zinc/59/12/81/591591281.db2.gz BDGRDGYKGYOJRP-VXGBXAGGSA-N 1 0 243.341 3.756 20 30 BHEDRO CCC[C@H](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000883251024 591591507 /nfs/dbraw/zinc/59/15/07/591591507.db2.gz YVCMDEDBADHWLH-NFOMZHRRSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000883251025 591591431 /nfs/dbraw/zinc/59/14/31/591591431.db2.gz YVCMDEDBADHWLH-WLYUNCDWSA-N 1 0 236.403 3.875 20 30 BHEDRO CCC[C@@H](C)CC[NH2+]CC(C)(C)CCC#N ZINC000883251321 591593105 /nfs/dbraw/zinc/59/31/05/591593105.db2.gz KUBGYQULENCHBE-CYBMUJFWSA-N 1 0 224.392 3.732 20 30 BHEDRO CCC[C@H](C)CC[NH2+]CC(C)(C)CCC#N ZINC000883251322 591592953 /nfs/dbraw/zinc/59/29/53/591592953.db2.gz KUBGYQULENCHBE-ZDUSSCGKSA-N 1 0 224.392 3.732 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CC(C)(C)CC(F)F ZINC000883251740 591592988 /nfs/dbraw/zinc/59/29/88/591592988.db2.gz ALURHHSMILWHGF-UHFFFAOYSA-N 1 0 246.345 3.587 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883254786 591594757 /nfs/dbraw/zinc/59/47/57/591594757.db2.gz CIHIIQLFTQRFKP-GHMZBOCLSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883254787 591595039 /nfs/dbraw/zinc/59/50/39/591595039.db2.gz CIHIIQLFTQRFKP-MNOVXSKESA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883254788 591594568 /nfs/dbraw/zinc/59/45/68/591594568.db2.gz CIHIIQLFTQRFKP-QWRGUYRKSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883254789 591594462 /nfs/dbraw/zinc/59/44/62/591594462.db2.gz CIHIIQLFTQRFKP-WDEREUQCSA-N 1 0 231.330 3.612 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255438 591594779 /nfs/dbraw/zinc/59/47/79/591594779.db2.gz VZVZNFJOMVQBEO-LLVKDONJSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255439 591594949 /nfs/dbraw/zinc/59/49/49/591594949.db2.gz VZVZNFJOMVQBEO-NSHDSACASA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H]([NH2+]CC1(C)CC(F)(F)C1)C1CC1 ZINC000883255626 591594910 /nfs/dbraw/zinc/59/49/10/591594910.db2.gz AEXHQADESOHMAS-GFCCVEGCSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@H]([NH2+]CC1(C)CC(F)(F)C1)C1CC1 ZINC000883255627 591594902 /nfs/dbraw/zinc/59/49/02/591594902.db2.gz AEXHQADESOHMAS-LBPRGKRZSA-N 1 0 243.341 3.756 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000883258929 591596157 /nfs/dbraw/zinc/59/61/57/591596157.db2.gz VKRJTTIBLGAYAO-GHMZBOCLSA-N 1 0 233.346 3.858 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000883258930 591596576 /nfs/dbraw/zinc/59/65/76/591596576.db2.gz VKRJTTIBLGAYAO-MNOVXSKESA-N 1 0 233.346 3.858 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000883258931 591595817 /nfs/dbraw/zinc/59/58/17/591595817.db2.gz VKRJTTIBLGAYAO-QWRGUYRKSA-N 1 0 233.346 3.858 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000883258932 591596379 /nfs/dbraw/zinc/59/63/79/591596379.db2.gz VKRJTTIBLGAYAO-WDEREUQCSA-N 1 0 233.346 3.858 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000883259270 591596954 /nfs/dbraw/zinc/59/69/54/591596954.db2.gz IATPDKMQIZAHBI-JTQLQIEISA-N 1 0 219.319 3.612 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000883259271 591597107 /nfs/dbraw/zinc/59/71/07/591597107.db2.gz IATPDKMQIZAHBI-SNVBAGLBSA-N 1 0 219.319 3.612 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883272917 591604836 /nfs/dbraw/zinc/60/48/36/591604836.db2.gz ZPELTFVVVLIPBD-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883272918 591604458 /nfs/dbraw/zinc/60/44/58/591604458.db2.gz ZPELTFVVVLIPBD-RBSFLKMASA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883274419 591605178 /nfs/dbraw/zinc/60/51/78/591605178.db2.gz JSHRDSFWOBIQPJ-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CCCC1(F)F ZINC000883274420 591605195 /nfs/dbraw/zinc/60/51/95/591605195.db2.gz JSHRDSFWOBIQPJ-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883274421 591605834 /nfs/dbraw/zinc/60/58/34/591605834.db2.gz JSHRDSFWOBIQPJ-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CCCC1(F)F ZINC000883274422 591605974 /nfs/dbraw/zinc/60/59/74/591605974.db2.gz JSHRDSFWOBIQPJ-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883319596 591615007 /nfs/dbraw/zinc/61/50/07/591615007.db2.gz JBQOBVJTBQWWPA-KFWWJZLASA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883319597 591613653 /nfs/dbraw/zinc/61/36/53/591613653.db2.gz JBQOBVJTBQWWPA-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000883319692 591614436 /nfs/dbraw/zinc/61/44/36/591614436.db2.gz LWAKEBCVXOWXKE-AKJSJKFASA-N 1 0 246.398 3.627 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000883351894 591625115 /nfs/dbraw/zinc/62/51/15/591625115.db2.gz NYQZLLRCEKZZMS-ILXRZTDVSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000883351895 591624847 /nfs/dbraw/zinc/62/48/47/591624847.db2.gz NYQZLLRCEKZZMS-KKUMJFAQSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000883351896 591625185 /nfs/dbraw/zinc/62/51/85/591625185.db2.gz NYQZLLRCEKZZMS-QLFBSQMISA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000883351897 591624509 /nfs/dbraw/zinc/62/45/09/591624509.db2.gz NYQZLLRCEKZZMS-SOUVJXGZSA-N 1 0 239.403 3.526 20 30 BHEDRO CC(=[NH+]OC1CCCC1)c1c(C)cc(N)cc1C ZINC000884445541 591936808 /nfs/dbraw/zinc/93/68/08/591936808.db2.gz PZALXXXDTDBEGU-UHFFFAOYSA-N 1 0 246.354 3.569 20 30 BHEDRO CCCCCCCC[NH2+][C@H](C)c1ncco1 ZINC000886532011 592248662 /nfs/dbraw/zinc/24/86/62/592248662.db2.gz BSPRBPFYWQOPAO-GFCCVEGCSA-N 1 0 224.348 3.686 20 30 BHEDRO CCCCCCCC[NH2+][C@@H](C)c1ncco1 ZINC000886532012 592249471 /nfs/dbraw/zinc/24/94/71/592249471.db2.gz BSPRBPFYWQOPAO-LBPRGKRZSA-N 1 0 224.348 3.686 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC#N)[C@H]1c1ccccc1 ZINC000886545516 592255051 /nfs/dbraw/zinc/25/50/51/592255051.db2.gz NCHDVXYAQHEIJF-GDBMZVCRSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H]1CC[N@H+](CCCCC#N)[C@H]1c1ccccc1 ZINC000886545517 592255235 /nfs/dbraw/zinc/25/52/35/592255235.db2.gz NCHDVXYAQHEIJF-GOEBONIOSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@H]1CC[N@H+](CCCCC#N)[C@@H]1c1ccccc1 ZINC000886545518 592255400 /nfs/dbraw/zinc/25/54/00/592255400.db2.gz NCHDVXYAQHEIJF-HOCLYGCPSA-N 1 0 242.366 3.763 20 30 BHEDRO C[C@@H]1CC[N@H+](CCCCC#N)[C@@H]1c1ccccc1 ZINC000886545519 592254703 /nfs/dbraw/zinc/25/47/03/592254703.db2.gz NCHDVXYAQHEIJF-ZBFHGGJFSA-N 1 0 242.366 3.763 20 30 BHEDRO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886613704 592275280 /nfs/dbraw/zinc/27/52/80/592275280.db2.gz CAVUPHYQDAEPND-RYUDHWBXSA-N 1 0 247.304 3.617 20 30 BHEDRO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617748 592277304 /nfs/dbraw/zinc/27/73/04/592277304.db2.gz XMCYSVLJZIJPHT-RYUDHWBXSA-N 1 0 247.304 3.617 20 30 BHEDRO C=CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886620903 592276952 /nfs/dbraw/zinc/27/69/52/592276952.db2.gz WCSTUBJQCXSLDU-SRVKXCTJSA-N 1 0 247.304 3.615 20 30 BHEDRO C=CC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886620904 592276972 /nfs/dbraw/zinc/27/69/72/592276972.db2.gz WCSTUBJQCXSLDU-WOPDTQHZSA-N 1 0 247.304 3.615 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCc2cccnc21 ZINC000886650634 592288894 /nfs/dbraw/zinc/28/88/94/592288894.db2.gz ZYUPKGSCUPYTKU-AWEZNQCLSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000886650635 592288800 /nfs/dbraw/zinc/28/88/00/592288800.db2.gz ZYUPKGSCUPYTKU-CQSZACIVSA-N 1 0 244.382 3.651 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cc(C2CC2)no1 ZINC000886683119 592302479 /nfs/dbraw/zinc/30/24/79/592302479.db2.gz XPZOBODQBGAAIK-CYBMUJFWSA-N 1 0 248.370 3.777 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+]Cc1cc(C2CC2)no1 ZINC000886683120 592302713 /nfs/dbraw/zinc/30/27/13/592302713.db2.gz XPZOBODQBGAAIK-ZDUSSCGKSA-N 1 0 248.370 3.777 20 30 BHEDRO CC1(C#N)CCC([NH2+]C2CCC=CCC2)CC1 ZINC000886816255 592336703 /nfs/dbraw/zinc/33/67/03/592336703.db2.gz QBLQEDHAUDRGFR-UHFFFAOYSA-N 1 0 232.371 3.547 20 30 BHEDRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1ccc(C#N)cc1 ZINC000886824563 592346585 /nfs/dbraw/zinc/34/65/85/592346585.db2.gz BPVAFQIXEKRTRI-GFCCVEGCSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1ccc(C#N)cc1 ZINC000886824564 592347807 /nfs/dbraw/zinc/34/78/07/592347807.db2.gz BPVAFQIXEKRTRI-LBPRGKRZSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cccc(C#N)c1 ZINC000886824994 592349076 /nfs/dbraw/zinc/34/90/76/592349076.db2.gz KJICUTIIJFDECI-GFCCVEGCSA-N 1 0 240.350 3.542 20 30 BHEDRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1cccc(C#N)c1 ZINC000886824995 592348439 /nfs/dbraw/zinc/34/84/39/592348439.db2.gz KJICUTIIJFDECI-LBPRGKRZSA-N 1 0 240.350 3.542 20 30 BHEDRO CC[C@H]([NH2+]CCC#N)c1cccc2ccccc21 ZINC000886917498 592395078 /nfs/dbraw/zinc/39/50/78/592395078.db2.gz BRDWVJYLFPYFIP-INIZCTEOSA-N 1 0 238.334 3.794 20 30 BHEDRO CC[C@@H]([NH2+]CCC#N)c1cccc2ccccc21 ZINC000886917499 592395042 /nfs/dbraw/zinc/39/50/42/592395042.db2.gz BRDWVJYLFPYFIP-MRXNPFEDSA-N 1 0 238.334 3.794 20 30 BHEDRO N#CC1(CC[NH2+]C2(C3CC3)CCC2)CCCCC1 ZINC000887148528 645894363 /nfs/dbraw/zinc/89/43/63/645894363.db2.gz HOXWIRRXURGTLO-UHFFFAOYSA-N 1 0 246.398 3.773 20 30 BHEDRO N#Cc1cc(C[N@H+](C2CC2)C2CCCC2)cs1 ZINC000891600136 582700802 /nfs/dbraw/zinc/70/08/02/582700802.db2.gz RSHDHHKYQZLALA-UHFFFAOYSA-N 1 0 246.379 3.527 20 30 BHEDRO Cc1oc(C(C)(C)C)cc1C[NH2+]CCCCC#N ZINC000892930093 583010985 /nfs/dbraw/zinc/01/09/85/583010985.db2.gz QLFHBZDIJIQDJY-UHFFFAOYSA-N 1 0 248.370 3.669 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892952004 583017848 /nfs/dbraw/zinc/01/78/48/583017848.db2.gz WWUMDUHHEXUARQ-SECBINFHSA-N 1 0 243.272 3.818 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892952005 583017445 /nfs/dbraw/zinc/01/74/45/583017445.db2.gz WWUMDUHHEXUARQ-VIFPVBQESA-N 1 0 243.272 3.818 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000893305731 583095805 /nfs/dbraw/zinc/09/58/05/583095805.db2.gz UOMQDHHFEFDVJP-NFOMZHRRSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000893305733 583095877 /nfs/dbraw/zinc/09/58/77/583095877.db2.gz UOMQDHHFEFDVJP-WLYUNCDWSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCC[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000893930198 583250599 /nfs/dbraw/zinc/25/05/99/583250599.db2.gz UJYVDXIDGAWHKV-UHFFFAOYSA-N 1 0 243.272 3.771 20 30 BHEDRO C=CC[N@@H+](Cc1ocnc1C)CC1CCCCC1 ZINC000894021256 583274887 /nfs/dbraw/zinc/27/48/87/583274887.db2.gz QKJYMYUBHCTGQE-UHFFFAOYSA-N 1 0 248.370 3.551 20 30 BHEDRO C=CCCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894121470 583311399 /nfs/dbraw/zinc/31/13/99/583311399.db2.gz UOPOIGKWMHZMDL-UHFFFAOYSA-N 1 0 243.272 3.819 20 30 BHEDRO CC(C)CCCC[NH2+]CC1CCC(C#N)CC1 ZINC000894246125 583389828 /nfs/dbraw/zinc/38/98/28/583389828.db2.gz KDNJMIKZPLGWTJ-UHFFFAOYSA-N 1 0 236.403 3.732 20 30 BHEDRO C=CC[C@H](C)[NH2+]Cc1cc2c(cccc2O)s1 ZINC000894259298 583397697 /nfs/dbraw/zinc/39/76/97/583397697.db2.gz ACJGVZGXWYTJKS-JTQLQIEISA-N 1 0 247.363 3.661 20 30 BHEDRO C=CC[C@@H](C)[NH2+]Cc1cc2c(cccc2O)s1 ZINC000894259299 583397710 /nfs/dbraw/zinc/39/77/10/583397710.db2.gz ACJGVZGXWYTJKS-SNVBAGLBSA-N 1 0 247.363 3.661 20 30 BHEDRO C=CC[C@@H]1[N@H+](Cc2ocnc2C)CCCC1(C)C ZINC000894574033 583486578 /nfs/dbraw/zinc/48/65/78/583486578.db2.gz LHZADOZYRWNZQN-AWEZNQCLSA-N 1 0 248.370 3.550 20 30 BHEDRO C=CC[C@H]1[N@H+](Cc2ocnc2C)CCCC1(C)C ZINC000894574034 583486777 /nfs/dbraw/zinc/48/67/77/583486777.db2.gz LHZADOZYRWNZQN-CQSZACIVSA-N 1 0 248.370 3.550 20 30 BHEDRO N#Cc1cc(C[NH+](C2CCC2)C2CCC2)cs1 ZINC000894592342 583492127 /nfs/dbraw/zinc/49/21/27/583492127.db2.gz LDSXNKOTWTULOI-UHFFFAOYSA-N 1 0 246.379 3.527 20 30 BHEDRO C=C(C)CC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894712785 583511342 /nfs/dbraw/zinc/51/13/42/583511342.db2.gz ULRLNYLOHZOERD-UHFFFAOYSA-N 1 0 243.272 3.819 20 30 BHEDRO C=CCCCCCCC[NH2+]Cc1ocnc1C ZINC000894789686 583519951 /nfs/dbraw/zinc/51/99/51/583519951.db2.gz IZTMLWXWCYIZFG-UHFFFAOYSA-N 1 0 236.359 3.599 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnc(Cl)s1 ZINC000895152559 636093247 /nfs/dbraw/zinc/09/32/47/636093247.db2.gz GEPWBTQHVFBOIR-SECBINFHSA-N 1 0 244.791 3.631 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1cnc(Cl)s1 ZINC000895152567 636093708 /nfs/dbraw/zinc/09/37/08/636093708.db2.gz GEPWBTQHVFBOIR-VIFPVBQESA-N 1 0 244.791 3.631 20 30 BHEDRO C=CCCCCC[NH2+]CC1CCC(OC)CC1 ZINC000895209094 583625915 /nfs/dbraw/zinc/62/59/15/583625915.db2.gz PWXSHWYKDLDLGM-UHFFFAOYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCCC1(C[NH2+]Cc2ocnc2C)CCCC1 ZINC000895231926 583629138 /nfs/dbraw/zinc/62/91/38/583629138.db2.gz WNAYOGVPGPAJLP-UHFFFAOYSA-N 1 0 248.370 3.599 20 30 BHEDRO C=CCC1([NH2+]CCCCC(C)C)CCOCC1 ZINC000895365588 583660279 /nfs/dbraw/zinc/66/02/79/583660279.db2.gz FKCJLIHDFLBMJD-UHFFFAOYSA-N 1 0 239.403 3.528 20 30 BHEDRO C=CCC1([NH2+]Cc2cnc(F)c(C)c2)CCCC1 ZINC000895402244 583665080 /nfs/dbraw/zinc/66/50/80/583665080.db2.gz BPKOVQFNWHDVFS-UHFFFAOYSA-N 1 0 248.345 3.508 20 30 BHEDRO C=CCC1([NH2+]Cc2cnc(F)cc2C)CCCC1 ZINC000895403678 583667153 /nfs/dbraw/zinc/66/71/53/583667153.db2.gz OOLMQAPBOCOYAR-UHFFFAOYSA-N 1 0 248.345 3.508 20 30 BHEDRO C=CCCC(C)(C)[NH2+]CC1CCC(OC)CC1 ZINC000895471208 583678377 /nfs/dbraw/zinc/67/83/77/583678377.db2.gz LAOSRYXFUQCUSY-UHFFFAOYSA-N 1 0 239.403 3.526 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OCC)o1 ZINC000895471754 583680255 /nfs/dbraw/zinc/68/02/55/583680255.db2.gz ZLYNUWHDIPXCAT-UHFFFAOYSA-N 1 0 237.343 3.513 20 30 BHEDRO C#CCCCCCC[NH2+]CC1(C)CC(F)(F)C1 ZINC000895532357 583685629 /nfs/dbraw/zinc/68/56/29/583685629.db2.gz NUPYKDWZPXJHHT-UHFFFAOYSA-N 1 0 243.341 3.595 20 30 BHEDRO C#CCCCCCC[NH2+]CC(C)(C)CC(F)F ZINC000895534485 583686379 /nfs/dbraw/zinc/68/63/79/583686379.db2.gz IYQPRQBZJMUAIG-UHFFFAOYSA-N 1 0 245.357 3.841 20 30 BHEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000896801962 583835116 /nfs/dbraw/zinc/83/51/16/583835116.db2.gz VGROAIAOSDOICZ-DGCLKSJQSA-N 1 0 248.345 3.725 20 30 BHEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000896801963 583834964 /nfs/dbraw/zinc/83/49/64/583834964.db2.gz VGROAIAOSDOICZ-WCQYABFASA-N 1 0 248.345 3.725 20 30 BHEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000896805214 583834516 /nfs/dbraw/zinc/83/45/16/583834516.db2.gz VGROAIAOSDOICZ-AAEUAGOBSA-N 1 0 248.345 3.725 20 30 BHEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000896805215 583834533 /nfs/dbraw/zinc/83/45/33/583834533.db2.gz VGROAIAOSDOICZ-YPMHNXCESA-N 1 0 248.345 3.725 20 30 BHEDRO C=C1CCC(C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000896838934 583838729 /nfs/dbraw/zinc/83/87/29/583838729.db2.gz VNYOSAZXFHNKIJ-LLVKDONJSA-N 1 0 248.197 3.516 20 30 BHEDRO C=C1CCC(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000896838935 583838760 /nfs/dbraw/zinc/83/87/60/583838760.db2.gz VNYOSAZXFHNKIJ-NSHDSACASA-N 1 0 248.197 3.516 20 30 BHEDRO Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)CCC#N ZINC000897624421 584032472 /nfs/dbraw/zinc/03/24/72/584032472.db2.gz JNKZEBHSCOSUJK-CYBMUJFWSA-N 1 0 244.382 3.675 20 30 BHEDRO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C)CCC#N ZINC000897624427 584032410 /nfs/dbraw/zinc/03/24/10/584032410.db2.gz JNKZEBHSCOSUJK-ZDUSSCGKSA-N 1 0 244.382 3.675 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897748839 584043348 /nfs/dbraw/zinc/04/33/48/584043348.db2.gz HTONQSWZTMVDAQ-DUJLVANISA-N 1 0 239.428 3.603 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897748840 584043238 /nfs/dbraw/zinc/04/32/38/584043238.db2.gz HTONQSWZTMVDAQ-PJIALRRASA-N 1 0 239.428 3.603 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897748841 584043520 /nfs/dbraw/zinc/04/35/20/584043520.db2.gz HTONQSWZTMVDAQ-WSOGJNRSSA-N 1 0 239.428 3.603 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897748842 584043601 /nfs/dbraw/zinc/04/36/01/584043601.db2.gz HTONQSWZTMVDAQ-YJBUHQLJSA-N 1 0 239.428 3.603 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897749021 584043779 /nfs/dbraw/zinc/04/37/79/584043779.db2.gz PTVUOVWOZSAGIT-FUDCBSFHSA-N 1 0 239.428 3.747 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897749022 584043556 /nfs/dbraw/zinc/04/35/56/584043556.db2.gz PTVUOVWOZSAGIT-RLAWYHOSSA-N 1 0 239.428 3.747 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000897772436 584045296 /nfs/dbraw/zinc/04/52/96/584045296.db2.gz UPAVXKOAAFTNHF-SHARSMKWSA-N 1 0 246.398 3.771 20 30 BHEDRO CC1(C#N)CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000897772437 584045379 /nfs/dbraw/zinc/04/53/79/584045379.db2.gz UPAVXKOAAFTNHF-SLTAFYQDSA-N 1 0 246.398 3.771 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897793905 584048818 /nfs/dbraw/zinc/04/88/18/584048818.db2.gz CHIKSFNOHYTUHZ-NEPJUHHUSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897793906 584048823 /nfs/dbraw/zinc/04/88/23/584048823.db2.gz CHIKSFNOHYTUHZ-NWDGAFQWSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897793907 584048845 /nfs/dbraw/zinc/04/88/45/584048845.db2.gz CHIKSFNOHYTUHZ-RYUDHWBXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897793908 584048583 /nfs/dbraw/zinc/04/85/83/584048583.db2.gz CHIKSFNOHYTUHZ-VXGBXAGGSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cncs2)C1 ZINC000897930267 584061536 /nfs/dbraw/zinc/06/15/36/584061536.db2.gz LXCFELJGCXEXDY-IJLUTSLNSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cncs2)C1 ZINC000897930268 584061291 /nfs/dbraw/zinc/06/12/91/584061291.db2.gz LXCFELJGCXEXDY-QJPTWQEYSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cncs2)C1 ZINC000897930269 584061687 /nfs/dbraw/zinc/06/16/87/584061687.db2.gz LXCFELJGCXEXDY-TUAOUCFPSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cncs2)C1 ZINC000897930270 584061288 /nfs/dbraw/zinc/06/12/88/584061288.db2.gz LXCFELJGCXEXDY-UTUOFQBUSA-N 1 0 236.384 3.539 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1cncs1 ZINC000897932000 584059062 /nfs/dbraw/zinc/05/90/62/584059062.db2.gz HNNHZJUIVWNXHD-NEPJUHHUSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1cncs1 ZINC000897932001 584059350 /nfs/dbraw/zinc/05/93/50/584059350.db2.gz HNNHZJUIVWNXHD-NWDGAFQWSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1cncs1 ZINC000897932002 584059049 /nfs/dbraw/zinc/05/90/49/584059049.db2.gz HNNHZJUIVWNXHD-RYUDHWBXSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1cncs1 ZINC000897932003 584058943 /nfs/dbraw/zinc/05/89/43/584058943.db2.gz HNNHZJUIVWNXHD-VXGBXAGGSA-N 1 0 238.400 3.929 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cncs1 ZINC000897933168 636846811 /nfs/dbraw/zinc/84/68/11/636846811.db2.gz SSTLSMWVVCTTHG-GHMZBOCLSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1cncs1 ZINC000897933169 636847299 /nfs/dbraw/zinc/84/72/99/636847299.db2.gz SSTLSMWVVCTTHG-MNOVXSKESA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cncs1 ZINC000897933170 636847240 /nfs/dbraw/zinc/84/72/40/636847240.db2.gz SSTLSMWVVCTTHG-QWRGUYRKSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cncs1 ZINC000897933171 636846902 /nfs/dbraw/zinc/84/69/02/636846902.db2.gz SSTLSMWVVCTTHG-WDEREUQCSA-N 1 0 224.373 3.539 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897966821 584069162 /nfs/dbraw/zinc/06/91/62/584069162.db2.gz HJKLHVHMUVSAGF-CABCVRRESA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897966822 584069351 /nfs/dbraw/zinc/06/93/51/584069351.db2.gz HJKLHVHMUVSAGF-GJZGRUSLSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000897966823 584069352 /nfs/dbraw/zinc/06/93/52/584069352.db2.gz HJKLHVHMUVSAGF-HUUCEWRRSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000897966824 584069311 /nfs/dbraw/zinc/06/93/11/584069311.db2.gz HJKLHVHMUVSAGF-LSDHHAIUSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)Cc1cccnc1 ZINC000897971095 584061485 /nfs/dbraw/zinc/06/14/85/584061485.db2.gz WUSMHXWQNDONGP-GDBMZVCRSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897971097 584061457 /nfs/dbraw/zinc/06/14/57/584061457.db2.gz WUSMHXWQNDONGP-GOEBONIOSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897971209 584061497 /nfs/dbraw/zinc/06/14/97/584061497.db2.gz WUSMHXWQNDONGP-HOCLYGCPSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)Cc1cccnc1 ZINC000897971212 584061747 /nfs/dbraw/zinc/06/17/47/584061747.db2.gz WUSMHXWQNDONGP-ZBFHGGJFSA-N 1 0 246.398 3.737 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898018098 584075193 /nfs/dbraw/zinc/07/51/93/584075193.db2.gz ZEDIJSDLWJIYKU-NEPJUHHUSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898018099 584075439 /nfs/dbraw/zinc/07/54/39/584075439.db2.gz ZEDIJSDLWJIYKU-NWDGAFQWSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898018100 584075504 /nfs/dbraw/zinc/07/55/04/584075504.db2.gz ZEDIJSDLWJIYKU-RYUDHWBXSA-N 1 0 231.330 3.756 20 30 BHEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898018101 584075278 /nfs/dbraw/zinc/07/52/78/584075278.db2.gz ZEDIJSDLWJIYKU-VXGBXAGGSA-N 1 0 231.330 3.756 20 30 BHEDRO N#CC1CCC([NH2+]C[C@@H]2CCC=CCCC2)CC1 ZINC000898032326 584078303 /nfs/dbraw/zinc/07/83/03/584078303.db2.gz NFNMGXDWNBNYAC-HWOWSKLDSA-N 1 0 246.398 3.795 20 30 BHEDRO N#CC1CCC([NH2+]C[C@H]2CCC=CCCC2)CC1 ZINC000898032327 584078256 /nfs/dbraw/zinc/07/82/56/584078256.db2.gz NFNMGXDWNBNYAC-PCKAHOCUSA-N 1 0 246.398 3.795 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC=CCCC1 ZINC000898032362 584078277 /nfs/dbraw/zinc/07/82/77/584078277.db2.gz OJBBMCPIKLWWRM-CABCVRRESA-N 1 0 234.387 3.652 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC=CCCC1 ZINC000898032363 584078497 /nfs/dbraw/zinc/07/84/97/584078497.db2.gz OJBBMCPIKLWWRM-GJZGRUSLSA-N 1 0 234.387 3.652 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC=CCCC1 ZINC000898032364 584078563 /nfs/dbraw/zinc/07/85/63/584078563.db2.gz OJBBMCPIKLWWRM-HUUCEWRRSA-N 1 0 234.387 3.652 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC=CCCC1 ZINC000898032365 584078301 /nfs/dbraw/zinc/07/83/01/584078301.db2.gz OJBBMCPIKLWWRM-LSDHHAIUSA-N 1 0 234.387 3.652 20 30 BHEDRO C=C(Cl)C[NH+]1CCC(c2ccccc2)CC1 ZINC000898179605 584093310 /nfs/dbraw/zinc/09/33/10/584093310.db2.gz UADIQOJWHTUOJC-UHFFFAOYSA-N 1 0 235.758 3.619 20 30 BHEDRO C=CCCCN(CC)Cc1nc(Cl)cs1 ZINC000898244362 584099815 /nfs/dbraw/zinc/09/98/15/584099815.db2.gz HWHIQWOYCKHNGQ-UHFFFAOYSA-N 1 0 244.791 3.585 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cc2cccnc2o1 ZINC000898244468 584099992 /nfs/dbraw/zinc/09/99/92/584099992.db2.gz LIAKURQHZOSRSK-UHFFFAOYSA-N 1 0 244.338 3.616 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cc2cnccc2o1 ZINC000898245256 584100804 /nfs/dbraw/zinc/10/08/04/584100804.db2.gz ZCSICRNPJCVDLS-UHFFFAOYSA-N 1 0 244.338 3.616 20 30 BHEDRO C=CCCC[N@@H+](CC)CC(C)(C)CCC#N ZINC000898245385 584100862 /nfs/dbraw/zinc/10/08/62/584100862.db2.gz BPBMWFZXXKDZHT-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO C=C(C)c1cccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000898309302 584110482 /nfs/dbraw/zinc/11/04/82/584110482.db2.gz BBFNWKJZYSDMQB-BBRMVZONSA-N 1 0 244.382 3.614 20 30 BHEDRO C=C(C)c1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000898309303 584110251 /nfs/dbraw/zinc/11/02/51/584110251.db2.gz BBFNWKJZYSDMQB-CJNGLKHVSA-N 1 0 244.382 3.614 20 30 BHEDRO C=C(C)c1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000898309304 584110428 /nfs/dbraw/zinc/11/04/28/584110428.db2.gz BBFNWKJZYSDMQB-CZUORRHYSA-N 1 0 244.382 3.614 20 30 BHEDRO C=C(C)c1cccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000898309305 584110369 /nfs/dbraw/zinc/11/03/69/584110369.db2.gz BBFNWKJZYSDMQB-XJKSGUPXSA-N 1 0 244.382 3.614 20 30 BHEDRO C=C(C)c1cccc(NC2CC[NH+](CC)CC2)c1 ZINC000898310905 584110198 /nfs/dbraw/zinc/11/01/98/584110198.db2.gz NGXZFEIZQZUULJ-UHFFFAOYSA-N 1 0 244.382 3.616 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322407 584107115 /nfs/dbraw/zinc/10/71/15/584107115.db2.gz KUAGTFAZRYAARV-CVEARBPZSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322408 584107014 /nfs/dbraw/zinc/10/70/14/584107014.db2.gz KUAGTFAZRYAARV-HOTGVXAUSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322409 584107004 /nfs/dbraw/zinc/10/70/04/584107004.db2.gz KUAGTFAZRYAARV-HZPDHXFCSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322410 584107240 /nfs/dbraw/zinc/10/72/40/584107240.db2.gz KUAGTFAZRYAARV-JKSUJKDBSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898323107 584107445 /nfs/dbraw/zinc/10/74/45/584107445.db2.gz XPJFPMALGNFBFA-HEHGZKQESA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898323108 584107516 /nfs/dbraw/zinc/10/75/16/584107516.db2.gz XPJFPMALGNFBFA-WOSRLPQWSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898323109 584107398 /nfs/dbraw/zinc/10/73/98/584107398.db2.gz XPJFPMALGNFBFA-XEZPLFJOSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898323110 584107604 /nfs/dbraw/zinc/10/76/04/584107604.db2.gz XPJFPMALGNFBFA-ZENOOKHLSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000898460005 584137464 /nfs/dbraw/zinc/13/74/64/584137464.db2.gz ASYZUEWBOJFXHT-UHFFFAOYSA-N 1 0 225.282 3.678 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000898460557 584138192 /nfs/dbraw/zinc/13/81/92/584138192.db2.gz OFEVTAQHFISJCO-UHFFFAOYSA-N 1 0 228.339 3.531 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1ccc(SC)s1 ZINC000898460612 584137991 /nfs/dbraw/zinc/13/79/91/584137991.db2.gz PUNOEYCJEQJCBB-UHFFFAOYSA-N 1 0 227.398 3.524 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000898460619 584138282 /nfs/dbraw/zinc/13/82/82/584138282.db2.gz PXBFALBONJNZOS-UHFFFAOYSA-N 1 0 242.366 3.542 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000898460850 584138044 /nfs/dbraw/zinc/13/80/44/584138044.db2.gz UTLOQJSHESIXCJ-UHFFFAOYSA-N 1 0 246.379 3.659 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000898461039 584137873 /nfs/dbraw/zinc/13/78/73/584137873.db2.gz YOODNALAPZUAIM-UHFFFAOYSA-N 1 0 228.339 3.531 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000898461057 584138054 /nfs/dbraw/zinc/13/80/54/584138054.db2.gz YXYGHMKJWZSKKF-UHFFFAOYSA-N 1 0 240.350 3.597 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000898461060 584137845 /nfs/dbraw/zinc/13/78/45/584137845.db2.gz YYYXBEBTUNDQHI-UHFFFAOYSA-N 1 0 240.350 3.597 20 30 BHEDRO C[C@H](CCC#N)C[NH2+]C1(C2CCCCC2)CC1 ZINC000898461356 584138037 /nfs/dbraw/zinc/13/80/37/584138037.db2.gz ABJQVFMTTPKLLY-CYBMUJFWSA-N 1 0 234.387 3.629 20 30 BHEDRO C[C@@H](CCC#N)C[NH2+]C1(C2CCCCC2)CC1 ZINC000898461357 584138010 /nfs/dbraw/zinc/13/80/10/584138010.db2.gz ABJQVFMTTPKLLY-ZDUSSCGKSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CC(C)(C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000898463328 584138562 /nfs/dbraw/zinc/13/85/62/584138562.db2.gz XLYBFHLVTMIFKX-UHFFFAOYSA-N 1 0 243.272 3.818 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccccc1NC ZINC000902470432 584616614 /nfs/dbraw/zinc/61/66/14/584616614.db2.gz XFIYCBAVUOUPEZ-CYBMUJFWSA-N 1 0 232.371 3.563 20 30 BHEDRO C=CCCC[C@H](C)[NH2+]Cc1ccccc1NC ZINC000902470433 584616647 /nfs/dbraw/zinc/61/66/47/584616647.db2.gz XFIYCBAVUOUPEZ-ZDUSSCGKSA-N 1 0 232.371 3.563 20 30 BHEDRO C=CCCC(C)(C)[NH2+]Cc1ccccc1NC ZINC000902621716 584645353 /nfs/dbraw/zinc/64/53/53/584645353.db2.gz PPSBDFMCWIKNRE-UHFFFAOYSA-N 1 0 232.371 3.563 20 30 BHEDRO CCCCC[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720139 584659374 /nfs/dbraw/zinc/65/93/74/584659374.db2.gz DKLIVYJBIDESBF-CHWSQXEVSA-N 1 0 245.370 3.573 20 30 BHEDRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720140 584659296 /nfs/dbraw/zinc/65/92/96/584659296.db2.gz DKLIVYJBIDESBF-OLZOCXBDSA-N 1 0 245.370 3.573 20 30 BHEDRO CCCCC[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720141 584659351 /nfs/dbraw/zinc/65/93/51/584659351.db2.gz DKLIVYJBIDESBF-QWHCGFSZSA-N 1 0 245.370 3.573 20 30 BHEDRO CCCCC[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720142 584659221 /nfs/dbraw/zinc/65/92/21/584659221.db2.gz DKLIVYJBIDESBF-STQMWFEESA-N 1 0 245.370 3.573 20 30 BHEDRO CC[C@H]([NH2+]C1CCCC1)c1cccc(C#N)c1 ZINC000902720568 584659832 /nfs/dbraw/zinc/65/98/32/584659832.db2.gz LSJGMFYXWYKVMI-HNNXBMFYSA-N 1 0 228.339 3.542 20 30 BHEDRO CC[C@@H]([NH2+]C1CCCC1)c1cccc(C#N)c1 ZINC000902720569 584660034 /nfs/dbraw/zinc/66/00/34/584660034.db2.gz LSJGMFYXWYKVMI-OAHLLOKOSA-N 1 0 228.339 3.542 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902867156 584683236 /nfs/dbraw/zinc/68/32/36/584683236.db2.gz AHMJHVVMDDIPIR-DOMZBBRYSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902867157 584683146 /nfs/dbraw/zinc/68/31/46/584683146.db2.gz AHMJHVVMDDIPIR-IUODEOHRSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902867158 584683243 /nfs/dbraw/zinc/68/32/43/584683243.db2.gz AHMJHVVMDDIPIR-SWLSCSKDSA-N 1 0 228.339 3.564 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902867159 584683193 /nfs/dbraw/zinc/68/31/93/584683193.db2.gz AHMJHVVMDDIPIR-WFASDCNBSA-N 1 0 228.339 3.564 20 30 BHEDRO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000902872390 584684180 /nfs/dbraw/zinc/68/41/80/584684180.db2.gz ZRFFIPSKGSCYBU-CVEARBPZSA-N 1 0 240.350 3.708 20 30 BHEDRO CC[C@H]([NH2+][C@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000902872391 584683895 /nfs/dbraw/zinc/68/38/95/584683895.db2.gz ZRFFIPSKGSCYBU-HOTGVXAUSA-N 1 0 240.350 3.708 20 30 BHEDRO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000902872392 584684183 /nfs/dbraw/zinc/68/41/83/584684183.db2.gz ZRFFIPSKGSCYBU-HZPDHXFCSA-N 1 0 240.350 3.708 20 30 BHEDRO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000902872393 584684006 /nfs/dbraw/zinc/68/40/06/584684006.db2.gz ZRFFIPSKGSCYBU-JKSUJKDBSA-N 1 0 240.350 3.708 20 30 BHEDRO CC[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(C#N)c1 ZINC000902916072 584691385 /nfs/dbraw/zinc/69/13/85/584691385.db2.gz GFGAHTAZFWAUIL-HNNXBMFYSA-N 1 0 240.350 3.542 20 30 BHEDRO CC[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(C#N)c1 ZINC000902916073 584691477 /nfs/dbraw/zinc/69/14/77/584691477.db2.gz GFGAHTAZFWAUIL-OAHLLOKOSA-N 1 0 240.350 3.542 20 30 BHEDRO C=CCCC[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902976329 584707606 /nfs/dbraw/zinc/70/76/06/584707606.db2.gz OVCHKBMDOAYENT-HNNXBMFYSA-N 1 0 228.339 3.565 20 30 BHEDRO C=CCCC[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902976330 584707464 /nfs/dbraw/zinc/70/74/64/584707464.db2.gz OVCHKBMDOAYENT-OAHLLOKOSA-N 1 0 228.339 3.565 20 30 BHEDRO CC[C@H]([NH2+]C1(CC)CC1)c1cccc(C#N)c1 ZINC000903006823 584716772 /nfs/dbraw/zinc/71/67/72/584716772.db2.gz OBGJYLQBUWMKLU-AWEZNQCLSA-N 1 0 228.339 3.542 20 30 BHEDRO CC[C@@H]([NH2+]C1(CC)CC1)c1cccc(C#N)c1 ZINC000903006825 584716983 /nfs/dbraw/zinc/71/69/83/584716983.db2.gz OBGJYLQBUWMKLU-CQSZACIVSA-N 1 0 228.339 3.542 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000903008260 584717313 /nfs/dbraw/zinc/71/73/13/584717313.db2.gz MYJFBFUGEYEDOX-HNNXBMFYSA-N 1 0 228.339 3.565 20 30 BHEDRO C=C(C)CC[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000903008261 584717242 /nfs/dbraw/zinc/71/72/42/584717242.db2.gz MYJFBFUGEYEDOX-OAHLLOKOSA-N 1 0 228.339 3.565 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000903014044 584717871 /nfs/dbraw/zinc/71/78/71/584717871.db2.gz MIDBQDJJNQELBP-HNNXBMFYSA-N 1 0 228.339 3.565 20 30 BHEDRO C=C(CC)C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000903014045 584718055 /nfs/dbraw/zinc/71/80/55/584718055.db2.gz MIDBQDJJNQELBP-OAHLLOKOSA-N 1 0 228.339 3.565 20 30 BHEDRO CCc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000903031505 584717995 /nfs/dbraw/zinc/71/79/95/584717995.db2.gz KXFRACJKAHZAQH-LLVKDONJSA-N 1 0 248.395 3.655 20 30 BHEDRO CCc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000903031506 584718230 /nfs/dbraw/zinc/71/82/30/584718230.db2.gz KXFRACJKAHZAQH-NSHDSACASA-N 1 0 248.395 3.655 20 30 BHEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1 ZINC000903032450 584718331 /nfs/dbraw/zinc/71/83/31/584718331.db2.gz UFJPYOUILQHAFI-AWEZNQCLSA-N 1 0 246.329 3.560 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1 ZINC000903032459 584718730 /nfs/dbraw/zinc/71/87/30/584718730.db2.gz UFJPYOUILQHAFI-CQSZACIVSA-N 1 0 246.329 3.560 20 30 BHEDRO CCC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccsc1 ZINC000903032958 584718606 /nfs/dbraw/zinc/71/86/06/584718606.db2.gz NIGHDMDIQLCXAM-CYBMUJFWSA-N 1 0 248.395 3.873 20 30 BHEDRO CCC[C@H]([NH2+]CC1(C#N)CCC1)c1ccsc1 ZINC000903032960 584718701 /nfs/dbraw/zinc/71/87/01/584718701.db2.gz NIGHDMDIQLCXAM-ZDUSSCGKSA-N 1 0 248.395 3.873 20 30 BHEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(C)c1 ZINC000903035194 584718925 /nfs/dbraw/zinc/71/89/25/584718925.db2.gz KUASWYBMCQXZFD-HNNXBMFYSA-N 1 0 242.366 3.730 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(C)c1 ZINC000903035195 584718919 /nfs/dbraw/zinc/71/89/19/584718919.db2.gz KUASWYBMCQXZFD-OAHLLOKOSA-N 1 0 242.366 3.730 20 30 BHEDRO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)c2ccccc21 ZINC000903035439 584719165 /nfs/dbraw/zinc/71/91/65/584719165.db2.gz PHIIXIYYKVBETD-DOMZBBRYSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)c2ccccc21 ZINC000903035440 584719134 /nfs/dbraw/zinc/71/91/34/584719134.db2.gz PHIIXIYYKVBETD-IUODEOHRSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)c2ccccc21 ZINC000903035441 584719161 /nfs/dbraw/zinc/71/91/61/584719161.db2.gz PHIIXIYYKVBETD-SWLSCSKDSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)c2ccccc21 ZINC000903035442 584719187 /nfs/dbraw/zinc/71/91/87/584719187.db2.gz PHIIXIYYKVBETD-WFASDCNBSA-N 1 0 240.350 3.518 20 30 BHEDRO CC[C@H]([NH2+]CCC(C)(C)F)c1cccc(C#N)c1 ZINC000903051316 584723970 /nfs/dbraw/zinc/72/39/70/584723970.db2.gz INJXRFMOMJHJAV-AWEZNQCLSA-N 1 0 248.345 3.737 20 30 BHEDRO CC[C@@H]([NH2+]CCC(C)(C)F)c1cccc(C#N)c1 ZINC000903051317 584724190 /nfs/dbraw/zinc/72/41/90/584724190.db2.gz INJXRFMOMJHJAV-CQSZACIVSA-N 1 0 248.345 3.737 20 30 BHEDRO CC[C@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1 ZINC000903063794 584722768 /nfs/dbraw/zinc/72/27/68/584722768.db2.gz IKQRPUBJYMTJSN-INIZCTEOSA-N 1 0 240.350 3.565 20 30 BHEDRO CC[C@@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1 ZINC000903063795 584722717 /nfs/dbraw/zinc/72/27/17/584722717.db2.gz IKQRPUBJYMTJSN-MRXNPFEDSA-N 1 0 240.350 3.565 20 30 BHEDRO CC[C@H]([NH2+]C[C@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903087938 584725198 /nfs/dbraw/zinc/72/51/98/584725198.db2.gz ODWHJRXAJAAVSQ-BBRMVZONSA-N 1 0 240.350 3.565 20 30 BHEDRO CC[C@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903087939 584725305 /nfs/dbraw/zinc/72/53/05/584725305.db2.gz ODWHJRXAJAAVSQ-CJNGLKHVSA-N 1 0 240.350 3.565 20 30 BHEDRO CC[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903087940 584725274 /nfs/dbraw/zinc/72/52/74/584725274.db2.gz ODWHJRXAJAAVSQ-CZUORRHYSA-N 1 0 240.350 3.565 20 30 BHEDRO CC[C@@H]([NH2+]C[C@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903087941 584725539 /nfs/dbraw/zinc/72/55/39/584725539.db2.gz ODWHJRXAJAAVSQ-XJKSGUPXSA-N 1 0 240.350 3.565 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000903100190 584727111 /nfs/dbraw/zinc/72/71/11/584727111.db2.gz JSYGRBFMKBWQPI-AWEZNQCLSA-N 1 0 242.366 3.548 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000903100191 584727296 /nfs/dbraw/zinc/72/72/96/584727296.db2.gz JSYGRBFMKBWQPI-CQSZACIVSA-N 1 0 242.366 3.548 20 30 BHEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C#N)CCC2 ZINC000903100478 584727130 /nfs/dbraw/zinc/72/71/30/584727130.db2.gz PUMPZQVXRDOSTK-HNNXBMFYSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C#N)CCC2 ZINC000903100479 584727524 /nfs/dbraw/zinc/72/75/24/584727524.db2.gz PUMPZQVXRDOSTK-OAHLLOKOSA-N 1 0 242.366 3.512 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000903100693 584727373 /nfs/dbraw/zinc/72/73/73/584727373.db2.gz VSVXXNFYQHTGTR-HNNXBMFYSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000903100699 584727340 /nfs/dbraw/zinc/72/73/40/584727340.db2.gz VSVXXNFYQHTGTR-OAHLLOKOSA-N 1 0 242.366 3.667 20 30 BHEDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC(C)(C)C#N ZINC000903100742 584727213 /nfs/dbraw/zinc/72/72/13/584727213.db2.gz WVKRCQREHPSZPO-GXTWGEPZSA-N 1 0 242.366 3.683 20 30 BHEDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC(C)(C)C#N ZINC000903100743 584727388 /nfs/dbraw/zinc/72/73/88/584727388.db2.gz WVKRCQREHPSZPO-JSGCOSHPSA-N 1 0 242.366 3.683 20 30 BHEDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC(C)(C)C#N ZINC000903100744 584727503 /nfs/dbraw/zinc/72/75/03/584727503.db2.gz WVKRCQREHPSZPO-OCCSQVGLSA-N 1 0 242.366 3.683 20 30 BHEDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC(C)(C)C#N ZINC000903100745 584727353 /nfs/dbraw/zinc/72/73/53/584727353.db2.gz WVKRCQREHPSZPO-TZMCWYRMSA-N 1 0 242.366 3.683 20 30 BHEDRO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(C2CC2)c1 ZINC000903101117 584727021 /nfs/dbraw/zinc/72/70/21/584727021.db2.gz AFMHUNJQEPPRSV-GFCCVEGCSA-N 1 0 242.366 3.764 20 30 BHEDRO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc(C2CC2)c1 ZINC000903101118 584727375 /nfs/dbraw/zinc/72/73/75/584727375.db2.gz AFMHUNJQEPPRSV-LBPRGKRZSA-N 1 0 242.366 3.764 20 30 BHEDRO CC[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000903101345 584727406 /nfs/dbraw/zinc/72/74/06/584727406.db2.gz FOPWLUASVZRKCJ-HNNXBMFYSA-N 1 0 244.382 3.537 20 30 BHEDRO CC[C@H](CCc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000903101346 584727065 /nfs/dbraw/zinc/72/70/65/584727065.db2.gz FOPWLUASVZRKCJ-OAHLLOKOSA-N 1 0 244.382 3.537 20 30 BHEDRO CCC[C@@H]([NH2+]CC(C)(C)C#N)c1ccsc1 ZINC000903101398 584727172 /nfs/dbraw/zinc/72/71/72/584727172.db2.gz HFPFEFAFEAJXEH-GFCCVEGCSA-N 1 0 236.384 3.729 20 30 BHEDRO CCC[C@H]([NH2+]CC(C)(C)C#N)c1ccsc1 ZINC000903101399 584727239 /nfs/dbraw/zinc/72/72/39/584727239.db2.gz HFPFEFAFEAJXEH-LBPRGKRZSA-N 1 0 236.384 3.729 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000903101780 584727408 /nfs/dbraw/zinc/72/74/08/584727408.db2.gz LYUGVDRMJCIQOR-HNNXBMFYSA-N 1 0 242.366 3.667 20 30 BHEDRO CC(C)(C#N)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000903101781 584727194 /nfs/dbraw/zinc/72/71/94/584727194.db2.gz LYUGVDRMJCIQOR-OAHLLOKOSA-N 1 0 242.366 3.667 20 30 BHEDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(C#N)CC2)cc1C ZINC000903101892 584727640 /nfs/dbraw/zinc/72/76/40/584727640.db2.gz OXKACJJCSCOMSN-AWEZNQCLSA-N 1 0 242.366 3.566 20 30 BHEDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(C#N)CC2)cc1C ZINC000903101893 584727633 /nfs/dbraw/zinc/72/76/33/584727633.db2.gz OXKACJJCSCOMSN-CQSZACIVSA-N 1 0 242.366 3.566 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CC2)c2ccccc21 ZINC000903102022 584727620 /nfs/dbraw/zinc/72/76/20/584727620.db2.gz PUQBGAXMSSFQAL-DOMZBBRYSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)c2ccccc21 ZINC000903102023 584727694 /nfs/dbraw/zinc/72/76/94/584727694.db2.gz PUQBGAXMSSFQAL-IUODEOHRSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)c2ccccc21 ZINC000903102024 584727699 /nfs/dbraw/zinc/72/76/99/584727699.db2.gz PUQBGAXMSSFQAL-SWLSCSKDSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@H]1CC[C@H]([NH2+]CC2(C#N)CC2)c2ccccc21 ZINC000903102025 584727577 /nfs/dbraw/zinc/72/75/77/584727577.db2.gz PUQBGAXMSSFQAL-WFASDCNBSA-N 1 0 240.350 3.518 20 30 BHEDRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)C#N)c2sccc21 ZINC000903102030 584727704 /nfs/dbraw/zinc/72/77/04/584727704.db2.gz QAEYFLCMLJCCJW-CMPLNLGQSA-N 1 0 248.395 3.826 20 30 BHEDRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)C#N)c2sccc21 ZINC000903102031 584727662 /nfs/dbraw/zinc/72/76/62/584727662.db2.gz QAEYFLCMLJCCJW-JQWIXIFHSA-N 1 0 248.395 3.826 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)C#N)c2sccc21 ZINC000903102032 584727664 /nfs/dbraw/zinc/72/76/64/584727664.db2.gz QAEYFLCMLJCCJW-PWSUYJOCSA-N 1 0 248.395 3.826 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C#N)c2sccc21 ZINC000903102033 584727650 /nfs/dbraw/zinc/72/76/50/584727650.db2.gz QAEYFLCMLJCCJW-ZYHUDNBSSA-N 1 0 248.395 3.826 20 30 BHEDRO CCc1ccc([C@H](CC)[NH2+]CC2(C#N)CC2)cc1 ZINC000903102085 584727719 /nfs/dbraw/zinc/72/77/19/584727719.db2.gz RVQREFYOXMOZAD-HNNXBMFYSA-N 1 0 242.366 3.593 20 30 BHEDRO CCc1ccc([C@@H](CC)[NH2+]CC2(C#N)CC2)cc1 ZINC000903102086 584727688 /nfs/dbraw/zinc/72/76/88/584727688.db2.gz RVQREFYOXMOZAD-OAHLLOKOSA-N 1 0 242.366 3.593 20 30 BHEDRO CCCc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903102193 710891733 /nfs/dbraw/zinc/89/17/33/710891733.db2.gz UDXFVYPVDWHCQW-CYBMUJFWSA-N 1 0 242.366 3.593 20 30 BHEDRO CCCc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903102194 710891083 /nfs/dbraw/zinc/89/10/83/710891083.db2.gz UDXFVYPVDWHCQW-ZDUSSCGKSA-N 1 0 242.366 3.593 20 30 BHEDRO CCCC[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000903105585 584727782 /nfs/dbraw/zinc/72/77/82/584727782.db2.gz FGTHSUYVZFHFFC-HNNXBMFYSA-N 1 0 242.366 3.811 20 30 BHEDRO CCCC[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000903105586 584727951 /nfs/dbraw/zinc/72/79/51/584727951.db2.gz FGTHSUYVZFHFFC-OAHLLOKOSA-N 1 0 242.366 3.811 20 30 BHEDRO C[C@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)c2sccc21 ZINC000903105638 584728083 /nfs/dbraw/zinc/72/80/83/584728083.db2.gz GMVSIPDCJZPHSD-CMPLNLGQSA-N 1 0 246.379 3.580 20 30 BHEDRO C[C@H]1CC[C@H]([NH2+]CC2(C#N)CC2)c2sccc21 ZINC000903105639 584727870 /nfs/dbraw/zinc/72/78/70/584727870.db2.gz GMVSIPDCJZPHSD-JQWIXIFHSA-N 1 0 246.379 3.580 20 30 BHEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CC2)c2sccc21 ZINC000903105640 584728185 /nfs/dbraw/zinc/72/81/85/584728185.db2.gz GMVSIPDCJZPHSD-PWSUYJOCSA-N 1 0 246.379 3.580 20 30 BHEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)c2sccc21 ZINC000903105641 584728132 /nfs/dbraw/zinc/72/81/32/584728132.db2.gz GMVSIPDCJZPHSD-ZYHUDNBSSA-N 1 0 246.379 3.580 20 30 BHEDRO Cc1ccsc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903108214 584728775 /nfs/dbraw/zinc/72/87/75/584728775.db2.gz OXGTWVGPCSDTLC-GFCCVEGCSA-N 1 0 248.395 3.791 20 30 BHEDRO Cc1ccsc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903108215 584728811 /nfs/dbraw/zinc/72/88/11/584728811.db2.gz OXGTWVGPCSDTLC-LBPRGKRZSA-N 1 0 248.395 3.791 20 30 BHEDRO CC[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccsc1 ZINC000903109911 637341729 /nfs/dbraw/zinc/34/17/29/637341729.db2.gz XFQSMZNNDAFQTB-CYBMUJFWSA-N 1 0 248.395 3.873 20 30 BHEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)c1ccsc1 ZINC000903109913 637342754 /nfs/dbraw/zinc/34/27/54/637342754.db2.gz XFQSMZNNDAFQTB-ZDUSSCGKSA-N 1 0 248.395 3.873 20 30 BHEDRO CC1(C#N)CCC([NH2+]C[C@]23C[C@H]2CCCC3)CC1 ZINC000903161598 584731527 /nfs/dbraw/zinc/73/15/27/584731527.db2.gz LDARYCWMJPGSRY-LMPOIIKSSA-N 1 0 246.398 3.629 20 30 BHEDRO CC1(C#N)CCC([NH2+]C[C@@]23C[C@@H]2CCCC3)CC1 ZINC000903161600 584731408 /nfs/dbraw/zinc/73/14/08/584731408.db2.gz LDARYCWMJPGSRY-SLTXQBBLSA-N 1 0 246.398 3.629 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903174711 584732680 /nfs/dbraw/zinc/73/26/80/584732680.db2.gz MXHIUPZKENALPP-HNNXBMFYSA-N 1 0 244.382 3.725 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903174712 584732800 /nfs/dbraw/zinc/73/28/00/584732800.db2.gz MXHIUPZKENALPP-OAHLLOKOSA-N 1 0 244.382 3.725 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H]1C ZINC000903178972 584733092 /nfs/dbraw/zinc/73/30/92/584733092.db2.gz KYBRFKWALXLETG-IBPCWRJOSA-N 1 0 248.414 3.729 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H]1C ZINC000903178973 584733008 /nfs/dbraw/zinc/73/30/08/584733008.db2.gz KYBRFKWALXLETG-NMHRLERGSA-N 1 0 248.414 3.729 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H]1C ZINC000903178974 584733238 /nfs/dbraw/zinc/73/32/38/584733238.db2.gz KYBRFKWALXLETG-QOTRURMSSA-N 1 0 248.414 3.729 20 30 BHEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H]1C ZINC000903178975 584733275 /nfs/dbraw/zinc/73/32/75/584733275.db2.gz KYBRFKWALXLETG-YUDUXTHKSA-N 1 0 248.414 3.729 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903205552 584736273 /nfs/dbraw/zinc/73/62/73/584736273.db2.gz JHLKETQPMHHVJB-HNNXBMFYSA-N 1 0 244.382 3.725 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903205553 584736357 /nfs/dbraw/zinc/73/63/57/584736357.db2.gz JHLKETQPMHHVJB-OAHLLOKOSA-N 1 0 244.382 3.725 20 30 BHEDRO C[C@H](CC(C)(C)C#N)Nc1cccc(C2CC2)n1 ZINC000903267339 584741567 /nfs/dbraw/zinc/74/15/67/584741567.db2.gz IUVKACHKOLRLNW-LLVKDONJSA-N 1 0 243.354 3.699 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)Nc1cccc(C2CC2)n1 ZINC000903267340 584741926 /nfs/dbraw/zinc/74/19/26/584741926.db2.gz IUVKACHKOLRLNW-NSHDSACASA-N 1 0 243.354 3.699 20 30 BHEDRO CCCCC1([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000903313478 584748600 /nfs/dbraw/zinc/74/86/00/584748600.db2.gz RFDXZRBHIQEQPA-UHFFFAOYSA-N 1 0 234.387 3.771 20 30 BHEDRO CCCCC1([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000903313643 584748631 /nfs/dbraw/zinc/74/86/31/584748631.db2.gz VQXMXARMOXIDIG-GFCCVEGCSA-N 1 0 222.376 3.627 20 30 BHEDRO CCCCC1([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000903313644 584748550 /nfs/dbraw/zinc/74/85/50/584748550.db2.gz VQXMXARMOXIDIG-LBPRGKRZSA-N 1 0 222.376 3.627 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903338471 584751852 /nfs/dbraw/zinc/75/18/52/584751852.db2.gz IEJSFROEAYFUTH-GDBMZVCRSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903338472 584751659 /nfs/dbraw/zinc/75/16/59/584751659.db2.gz IEJSFROEAYFUTH-GOEBONIOSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903338474 584751822 /nfs/dbraw/zinc/75/18/22/584751822.db2.gz IEJSFROEAYFUTH-HOCLYGCPSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903338475 584751698 /nfs/dbraw/zinc/75/16/98/584751698.db2.gz IEJSFROEAYFUTH-ZBFHGGJFSA-N 1 0 244.382 3.867 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903340039 584752277 /nfs/dbraw/zinc/75/22/77/584752277.db2.gz OVMUEGUJQVJUSQ-HEHGZKQESA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903340042 584752099 /nfs/dbraw/zinc/75/20/99/584752099.db2.gz OVMUEGUJQVJUSQ-WOSRLPQWSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903340043 584752268 /nfs/dbraw/zinc/75/22/68/584752268.db2.gz OVMUEGUJQVJUSQ-XEZPLFJOSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903340044 584752406 /nfs/dbraw/zinc/75/24/06/584752406.db2.gz OVMUEGUJQVJUSQ-ZENOOKHLSA-N 1 0 244.382 3.723 20 30 BHEDRO C=CCC[C@@H]([NH2+]C/C=C/Cl)c1ccco1 ZINC000903443146 584768049 /nfs/dbraw/zinc/76/80/49/584768049.db2.gz CCJOFAHCMDVFDS-AYLMVEPYSA-N 1 0 225.719 3.629 20 30 BHEDRO C=CCC[C@H]([NH2+]C/C=C/Cl)c1ccco1 ZINC000903443147 584767790 /nfs/dbraw/zinc/76/77/90/584767790.db2.gz CCJOFAHCMDVFDS-BWNDKRECSA-N 1 0 225.719 3.629 20 30 BHEDRO C=CCC[C@H]([NH2+]C/C=C\Cl)c1ccco1 ZINC000903443148 584768219 /nfs/dbraw/zinc/76/82/19/584768219.db2.gz CCJOFAHCMDVFDS-OFSNVTPPSA-N 1 0 225.719 3.629 20 30 BHEDRO C=CCC[C@@H]([NH2+]C/C=C\Cl)c1ccco1 ZINC000903443149 584768085 /nfs/dbraw/zinc/76/80/85/584768085.db2.gz CCJOFAHCMDVFDS-UIJKISKDSA-N 1 0 225.719 3.629 20 30 BHEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(C3CCCCC3)CC2)C1 ZINC000903447685 584770728 /nfs/dbraw/zinc/77/07/28/584770728.db2.gz AZHUPAARSATQKS-DZGCQCFKSA-N 1 0 246.398 3.771 20 30 BHEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(C3CCCCC3)CC2)C1 ZINC000903447686 584770592 /nfs/dbraw/zinc/77/05/92/584770592.db2.gz AZHUPAARSATQKS-HIFRSBDPSA-N 1 0 246.398 3.771 20 30 BHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(C3CCCCC3)CC2)C1 ZINC000903447687 584770481 /nfs/dbraw/zinc/77/04/81/584770481.db2.gz AZHUPAARSATQKS-UKRRQHHQSA-N 1 0 246.398 3.771 20 30 BHEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(C3CCCCC3)CC2)C1 ZINC000903447688 584770866 /nfs/dbraw/zinc/77/08/66/584770866.db2.gz AZHUPAARSATQKS-ZFWWWQNUSA-N 1 0 246.398 3.771 20 30 BHEDRO CCC[N@H+](C/C=C\Cl)Cc1ccc(C#N)cc1 ZINC000915680380 641853521 /nfs/dbraw/zinc/85/35/21/641853521.db2.gz GOPTVABSBMMERR-BAQGIRSFSA-N 1 0 248.757 3.523 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000917052961 641997715 /nfs/dbraw/zinc/99/77/15/641997715.db2.gz GKTMUVJPFOGWHB-CYZMBNFOSA-N 1 0 227.779 3.640 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000917052962 641998056 /nfs/dbraw/zinc/99/80/56/641998056.db2.gz GKTMUVJPFOGWHB-DRZSPHRISA-N 1 0 227.779 3.640 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000917052963 641997263 /nfs/dbraw/zinc/99/72/63/641997263.db2.gz GKTMUVJPFOGWHB-UHTWSYAYSA-N 1 0 227.779 3.640 20 30 BHEDRO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000917052964 641997132 /nfs/dbraw/zinc/99/71/32/641997132.db2.gz GKTMUVJPFOGWHB-WCFLWFBJSA-N 1 0 227.779 3.640 20 30 BHEDRO C=C(Cl)C[N@H+](C)CCCCc1ccccc1 ZINC000917063435 641999952 /nfs/dbraw/zinc/99/99/52/641999952.db2.gz CXRIRYDFZOLUSM-UHFFFAOYSA-N 1 0 237.774 3.694 20 30 BHEDRO C=C(Cl)C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000917064693 641999815 /nfs/dbraw/zinc/99/98/15/641999815.db2.gz GVVJDXLJWMKRCW-UHFFFAOYSA-N 1 0 227.779 3.782 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000917065557 641999180 /nfs/dbraw/zinc/99/91/80/641999180.db2.gz CPBVCBWNXPNKMV-HNNXBMFYSA-N 1 0 249.785 3.836 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000917065558 641999569 /nfs/dbraw/zinc/99/95/69/641999569.db2.gz CPBVCBWNXPNKMV-OAHLLOKOSA-N 1 0 249.785 3.836 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000917067410 641999802 /nfs/dbraw/zinc/99/98/02/641999802.db2.gz GYMMHEZRNHHFDO-CYBMUJFWSA-N 1 0 227.779 3.784 20 30 BHEDRO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000917067411 641998686 /nfs/dbraw/zinc/99/86/86/641998686.db2.gz GYMMHEZRNHHFDO-ZDUSSCGKSA-N 1 0 227.779 3.784 20 30 BHEDRO C=CC[N@H+](C/C=C/c1ccccc1)C(C)C ZINC000917068771 642000941 /nfs/dbraw/zinc/00/09/41/642000941.db2.gz BFHDJDFDONQDHH-DHZHZOJOSA-N 1 0 215.340 3.596 20 30 BHEDRO C=CC[N@H+](C/C=C\c1ccccc1)C(C)C ZINC000917068772 642001620 /nfs/dbraw/zinc/00/16/20/642001620.db2.gz BFHDJDFDONQDHH-FLIBITNWSA-N 1 0 215.340 3.596 20 30 BHEDRO C=CC[N@@H+](CCOc1cc(C)cc(C)c1)C(C)C ZINC000917069176 642002459 /nfs/dbraw/zinc/00/24/59/642002459.db2.gz JRGGBVRPZCMMNP-UHFFFAOYSA-N 1 0 247.382 3.579 20 30 BHEDRO C=CC[N@@H+](Cc1ccc(SC)cc1)C(C)C ZINC000917069245 642001194 /nfs/dbraw/zinc/00/11/94/642001194.db2.gz LPQCAYOLQMMRBG-UHFFFAOYSA-N 1 0 235.396 3.805 20 30 BHEDRO C=CC[N@@H+](CCCc1ccccc1)C(C)C ZINC000917069350 642002884 /nfs/dbraw/zinc/00/28/84/642002884.db2.gz NYIHVTDFXKPSJY-UHFFFAOYSA-N 1 0 217.356 3.516 20 30 BHEDRO C=CC[N@H+](Cc1cc(C)cc(C)c1)C(C)C ZINC000917069479 642002406 /nfs/dbraw/zinc/00/24/06/642002406.db2.gz PBNHAWBAPCHTMR-UHFFFAOYSA-N 1 0 217.356 3.700 20 30 BHEDRO C=CC[N@H+](Cc1ccc(Cl)cc1)C(C)C ZINC000917069501 642001227 /nfs/dbraw/zinc/00/12/27/642001227.db2.gz QEYHMZYVXLKTBK-UHFFFAOYSA-N 1 0 223.747 3.736 20 30 BHEDRO C=CC[N@@H+](CCOc1cc(C)ccc1C)C(C)C ZINC000917069632 642002470 /nfs/dbraw/zinc/00/24/70/642002470.db2.gz SNQQTVYMAIVXQQ-UHFFFAOYSA-N 1 0 247.382 3.579 20 30 BHEDRO C=CC[N@H+](Cc1cc(C)ccc1C)C(C)C ZINC000917069673 642002614 /nfs/dbraw/zinc/00/26/14/642002614.db2.gz UGKJYFIKOBMWLL-UHFFFAOYSA-N 1 0 217.356 3.700 20 30 BHEDRO C=CC[N@@H+](Cc1cccc(OC(C)C)c1)C(C)C ZINC000917069885 642001961 /nfs/dbraw/zinc/00/19/61/642001961.db2.gz ZETUXWMJMXNFOU-UHFFFAOYSA-N 1 0 247.382 3.870 20 30 BHEDRO C=CC[N@@H+](CCOc1cccc(CC)c1)C(C)C ZINC000917070433 642002825 /nfs/dbraw/zinc/00/28/25/642002825.db2.gz BFPZWSWEAGDBPP-UHFFFAOYSA-N 1 0 247.382 3.524 20 30 BHEDRO C=CC[N@@H+](CCOc1c(C)cccc1C)C(C)C ZINC000917070559 642002041 /nfs/dbraw/zinc/00/20/41/642002041.db2.gz FESITVDSEZGANB-UHFFFAOYSA-N 1 0 247.382 3.579 20 30 BHEDRO C=CC[N@H+](Cc1ccc(F)cc1Cl)C(C)C ZINC000917070564 642001337 /nfs/dbraw/zinc/00/13/37/642001337.db2.gz FLDFRGNKHXZEEU-UHFFFAOYSA-N 1 0 241.737 3.876 20 30 BHEDRO C=CC[N@H+](Cc1ccccc1Cl)C(C)C ZINC000917071010 642002717 /nfs/dbraw/zinc/00/27/17/642002717.db2.gz MFBINNAQEPZOPY-UHFFFAOYSA-N 1 0 223.747 3.736 20 30 BHEDRO C=CCN(Cc1c(F)cccc1Cl)C(C)C ZINC000917071320 642003410 /nfs/dbraw/zinc/00/34/10/642003410.db2.gz RALIZNOIYPGVJE-UHFFFAOYSA-N 1 0 241.737 3.876 20 30 BHEDRO C=C(Cl)C[N@H+](CC1CCCCC1)C1CC1 ZINC000917072822 642004948 /nfs/dbraw/zinc/00/49/48/642004948.db2.gz RYMZHCMDTUTWRU-UHFFFAOYSA-N 1 0 227.779 3.784 20 30 BHEDRO C=C(C)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074948 642002055 /nfs/dbraw/zinc/00/20/55/642002055.db2.gz MKJUUJYTVAFSPN-UHFFFAOYSA-N 1 0 246.398 3.539 20 30 BHEDRO CCCCCCCCC[NH2+]Cc1cnc(C)nc1 ZINC000917139260 642019229 /nfs/dbraw/zinc/01/92/29/642019229.db2.gz QFAVZLRYQNYFHA-UHFFFAOYSA-N 1 0 249.402 3.625 20 30 BHEDRO C=CC[N@H+](Cc1cccc2cccnc21)C(C)C ZINC000917167949 642023471 /nfs/dbraw/zinc/02/34/71/642023471.db2.gz JXFMMKPXVHWRFR-UHFFFAOYSA-N 1 0 240.350 3.631 20 30 BHEDRO C=CC[N@@H+](Cc1ccccc1OC(C)C)C(C)C ZINC000917829901 642132226 /nfs/dbraw/zinc/13/22/26/642132226.db2.gz FYSJOSQMUWHXBX-UHFFFAOYSA-N 1 0 247.382 3.870 20 30 BHEDRO C=C(Cl)C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000917985580 642150763 /nfs/dbraw/zinc/15/07/63/642150763.db2.gz YDSLUCQZSTXMCV-AWEZNQCLSA-N 1 0 235.758 3.884 20 30 BHEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000917985584 642150437 /nfs/dbraw/zinc/15/04/37/642150437.db2.gz YDSLUCQZSTXMCV-CQSZACIVSA-N 1 0 235.758 3.884 20 30 BHEDRO CCCCCCCCC[N@H+](C)Cc1ccno1 ZINC000918741234 642260668 /nfs/dbraw/zinc/26/06/68/642260668.db2.gz DJOMYJWTPORMKN-UHFFFAOYSA-N 1 0 238.375 3.857 20 30 BHEDRO CCCCCCCCC[N@H+](C)C[C@@H]1CCOC1 ZINC000918741723 642259948 /nfs/dbraw/zinc/25/99/48/642259948.db2.gz OVUJILHLGSFXAG-HNNXBMFYSA-N 1 0 241.419 3.705 20 30 BHEDRO CCCCCCCCC[N@H+](C)C[C@H]1CCOC1 ZINC000918741724 642263502 /nfs/dbraw/zinc/26/35/02/642263502.db2.gz OVUJILHLGSFXAG-OAHLLOKOSA-N 1 0 241.419 3.705 20 30 BHEDRO C#CC[N@@H+](CCC)[C@@H](C)c1cc2ccccc2o1 ZINC000919723769 642379951 /nfs/dbraw/zinc/37/99/51/642379951.db2.gz IVMZMUWYSJNMTG-ZDUSSCGKSA-N 1 0 241.334 3.839 20 30 BHEDRO C=C(Cl)CN(Cc1cccc(F)c1)C(C)C ZINC000920206134 642448430 /nfs/dbraw/zinc/44/84/30/642448430.db2.gz CVRNASGHDPOJMJ-UHFFFAOYSA-N 1 0 241.737 3.789 20 30 BHEDRO C=CC[N@H+](Cc1cc(C)sc1C)C(C)C ZINC000920412223 642487649 /nfs/dbraw/zinc/48/76/49/642487649.db2.gz RXOYKHKQHRZLNO-UHFFFAOYSA-N 1 0 223.385 3.761 20 30 BHEDRO C#CCC[N@@H+](CCCCC)Cc1ccc(F)cc1 ZINC000920415681 642489918 /nfs/dbraw/zinc/48/99/18/642489918.db2.gz BAZMDRXHACQAQG-UHFFFAOYSA-N 1 0 247.357 3.841 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(CC)cc1)C(C)C ZINC000920415699 642491665 /nfs/dbraw/zinc/49/16/65/642491665.db2.gz CVTZNFIDJLNAKV-INIZCTEOSA-N 1 0 229.367 3.559 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccc(CC)cc1)C(C)C ZINC000920415711 642489632 /nfs/dbraw/zinc/48/96/32/642489632.db2.gz CVTZNFIDJLNAKV-MRXNPFEDSA-N 1 0 229.367 3.559 20 30 BHEDRO C#CCC[NH+](CCCCC)CCCCC ZINC000920415727 642489799 /nfs/dbraw/zinc/48/97/99/642489799.db2.gz DRGFIGGWEXILNG-UHFFFAOYSA-N 1 0 209.377 3.692 20 30 BHEDRO C#CCC[NH2+][C@H](c1ccc(CCC)cc1)C(C)C ZINC000920415736 642490931 /nfs/dbraw/zinc/49/09/31/642490931.db2.gz GUWLVDLCUAQQFS-KRWDZBQOSA-N 1 0 243.394 3.949 20 30 BHEDRO C#CCC[NH2+][C@@H](c1ccc(CCC)cc1)C(C)C ZINC000920415737 642489321 /nfs/dbraw/zinc/48/93/21/642489321.db2.gz GUWLVDLCUAQQFS-QGZVFWFLSA-N 1 0 243.394 3.949 20 30 BHEDRO C#CCC[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000920415786 642489982 /nfs/dbraw/zinc/48/99/82/642489982.db2.gz MNSXANRBYOXCTN-UHFFFAOYSA-N 1 0 241.378 3.798 20 30 BHEDRO C#CC[N@@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000920416383 642490036 /nfs/dbraw/zinc/49/00/36/642490036.db2.gz LXOAVQRWULAODY-CQSZACIVSA-N 1 0 249.357 3.998 20 30 BHEDRO N#Cc1cc(C[NH2+]CCC2=CCCCC2)cs1 ZINC000921469061 642622221 /nfs/dbraw/zinc/62/22/21/642622221.db2.gz ZSCSRYPQOQRTPW-UHFFFAOYSA-N 1 0 246.379 3.600 20 30 BHEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1cccs1 ZINC000921480271 642636067 /nfs/dbraw/zinc/63/60/67/642636067.db2.gz DNEVVAGXXJOFJG-SECBINFHSA-N 1 0 248.376 3.532 20 30 BHEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cccs1 ZINC000921480272 642635479 /nfs/dbraw/zinc/63/54/79/642635479.db2.gz DNEVVAGXXJOFJG-VIFPVBQESA-N 1 0 248.376 3.532 20 30 BHEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccsc1 ZINC000922107663 643863409 /nfs/dbraw/zinc/86/34/09/643863409.db2.gz AXAWVLRQDIKPHD-SECBINFHSA-N 1 0 248.376 3.532 20 30 BHEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccsc1 ZINC000922107664 643863219 /nfs/dbraw/zinc/86/32/19/643863219.db2.gz AXAWVLRQDIKPHD-VIFPVBQESA-N 1 0 248.376 3.532 20 30 BHEDRO CC(C)(C)C1CC([NH2+]Cc2csc(C#N)c2)C1 ZINC000922149711 643873926 /nfs/dbraw/zinc/87/39/26/643873926.db2.gz QQDQQOVYNJTDPI-UHFFFAOYSA-N 1 0 248.395 3.534 20 30 BHEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1csc(C#N)c1 ZINC000922172922 643889285 /nfs/dbraw/zinc/88/92/85/643889285.db2.gz ZCGVYBWBJNVIJS-JTQLQIEISA-N 1 0 236.384 3.534 20 30 BHEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1csc(C#N)c1 ZINC000922172923 643889662 /nfs/dbraw/zinc/88/96/62/643889662.db2.gz ZCGVYBWBJNVIJS-SNVBAGLBSA-N 1 0 236.384 3.534 20 30 BHEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000922238403 643914658 /nfs/dbraw/zinc/91/46/58/643914658.db2.gz DNBVETRWDCNODO-JTQLQIEISA-N 1 0 236.384 3.534 20 30 BHEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000922238404 643914461 /nfs/dbraw/zinc/91/44/61/643914461.db2.gz DNBVETRWDCNODO-SNVBAGLBSA-N 1 0 236.384 3.534 20 30 BHEDRO C=CCC1([NH2+]Cc2csc(C#N)c2)CCCC1 ZINC000922250338 643921977 /nfs/dbraw/zinc/92/19/77/643921977.db2.gz PXQGVUMLTXIXBI-UHFFFAOYSA-N 1 0 246.379 3.598 20 30 BHEDRO C=C1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000922711984 644074499 /nfs/dbraw/zinc/07/44/99/644074499.db2.gz VLVDZVRNOOCRCG-UHFFFAOYSA-N 1 0 246.398 3.795 20 30 BHEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000922728368 644081108 /nfs/dbraw/zinc/08/11/08/644081108.db2.gz IRJFHDAVNNCNFZ-FIQHERPVSA-N 1 0 247.304 3.519 20 30 BHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000922728369 644080824 /nfs/dbraw/zinc/08/08/24/644080824.db2.gz IRJFHDAVNNCNFZ-NNYUYHANSA-N 1 0 247.304 3.519 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000922728370 644080702 /nfs/dbraw/zinc/08/07/02/644080702.db2.gz IRJFHDAVNNCNFZ-NOOOWODRSA-N 1 0 247.304 3.519 20 30 BHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000922728371 644081263 /nfs/dbraw/zinc/08/12/63/644081263.db2.gz IRJFHDAVNNCNFZ-WRWGMCAJSA-N 1 0 247.304 3.519 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCS[C@@H](C)C2)C1 ZINC000922837467 644114983 /nfs/dbraw/zinc/11/49/83/644114983.db2.gz HCKLJEKXLUQPMR-CRWXNKLISA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCS[C@H](C)C2)C1 ZINC000922837483 644115011 /nfs/dbraw/zinc/11/50/11/644115011.db2.gz HCKLJEKXLUQPMR-MQYQWHSLSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCS[C@@H](C)C2)C1 ZINC000922837485 644114527 /nfs/dbraw/zinc/11/45/27/644114527.db2.gz HCKLJEKXLUQPMR-RFQIPJPRSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCS[C@H](C)C2)C1 ZINC000922837487 644115359 /nfs/dbraw/zinc/11/53/59/644115359.db2.gz HCKLJEKXLUQPMR-YIYPIFLZSA-N 1 0 239.428 3.605 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]CC1CCC=CCC1 ZINC000922966143 644199937 /nfs/dbraw/zinc/19/99/37/644199937.db2.gz HLYUBWWETLNJEJ-UHFFFAOYSA-N 1 0 234.387 3.652 20 30 BHEDRO CC1(C#N)CCC([NH2+]CC2CCC=CCC2)CC1 ZINC000922966231 644203111 /nfs/dbraw/zinc/20/31/11/644203111.db2.gz MYKKOLDTSMZEQT-UHFFFAOYSA-N 1 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3.552 20 30 BHEDRO Cc1cc(C[NH2+][C@@H](C)CC(C)(C)C#N)ccc1F ZINC000924595848 646074857 /nfs/dbraw/zinc/07/48/57/646074857.db2.gz YVOBZLRVTBHBIY-LBPRGKRZSA-N 1 0 248.345 3.552 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCCc2occc21 ZINC000924645558 636971022 /nfs/dbraw/zinc/97/10/22/636971022.db2.gz ZSULIQHKMSLDFH-AAEUAGOBSA-N 1 0 246.354 3.575 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCc2occc21 ZINC000924645559 636970407 /nfs/dbraw/zinc/97/04/07/636970407.db2.gz ZSULIQHKMSLDFH-DGCLKSJQSA-N 1 0 246.354 3.575 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCc2occc21 ZINC000924645560 636970976 /nfs/dbraw/zinc/97/09/76/636970976.db2.gz ZSULIQHKMSLDFH-WCQYABFASA-N 1 0 246.354 3.575 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCCc2occc21 ZINC000924645561 636970393 /nfs/dbraw/zinc/97/03/93/636970393.db2.gz ZSULIQHKMSLDFH-YPMHNXCESA-N 1 0 246.354 3.575 20 30 BHEDRO C=C(C[NH2+][C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000924841923 639720598 /nfs/dbraw/zinc/72/05/98/639720598.db2.gz OMLZKZOBMCSHSU-AWEZNQCLSA-N 1 0 242.366 3.618 20 30 BHEDRO C=C(C[NH2+][C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000924841928 639719205 /nfs/dbraw/zinc/71/92/05/639719205.db2.gz OMLZKZOBMCSHSU-CQSZACIVSA-N 1 0 242.366 3.618 20 30 BHEDRO CC(C)C(C(C)C)[C@@H](C)[NH2+]CCCCC#N ZINC000924940865 635795278 /nfs/dbraw/zinc/79/52/78/635795278.db2.gz BEKJUNGHFSEGFG-CYBMUJFWSA-N 1 0 224.392 3.587 20 30 BHEDRO CC(C)C(C(C)C)[C@H](C)[NH2+]CCCCC#N ZINC000924940866 635795057 /nfs/dbraw/zinc/79/50/57/635795057.db2.gz BEKJUNGHFSEGFG-ZDUSSCGKSA-N 1 0 224.392 3.587 20 30 BHEDRO C[C@@H]([NH2+]CCCCC#N)c1coc2ccccc12 ZINC000924941214 646135898 /nfs/dbraw/zinc/13/58/98/646135898.db2.gz DZGYMOBABCVYLK-GFCCVEGCSA-N 1 0 242.322 3.777 20 30 BHEDRO C[C@H]([NH2+]CCCCC#N)c1coc2ccccc12 ZINC000924941216 635794893 /nfs/dbraw/zinc/79/48/93/635794893.db2.gz DZGYMOBABCVYLK-LBPRGKRZSA-N 1 0 242.322 3.777 20 30 BHEDRO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CCCCC#N ZINC000924943083 646136844 /nfs/dbraw/zinc/13/68/44/646136844.db2.gz SARJFFIYRUGAHD-HIFRSBDPSA-N 1 0 234.387 3.795 20 30 BHEDRO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CCCCC#N ZINC000924943084 646136664 /nfs/dbraw/zinc/13/66/64/646136664.db2.gz SARJFFIYRUGAHD-UKRRQHHQSA-N 1 0 234.387 3.795 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C/C=C/c1ccccc1 ZINC000925053415 646170398 /nfs/dbraw/zinc/17/03/98/646170398.db2.gz ZHMVXXMRBGMXEC-DNGMOHDESA-N 1 0 242.366 3.618 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C/C=C\c1ccccc1 ZINC000925053416 646170836 /nfs/dbraw/zinc/17/08/36/646170836.db2.gz ZHMVXXMRBGMXEC-JKEYDSJLSA-N 1 0 242.366 3.618 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C/C=C/c1ccccc1 ZINC000925053418 646170194 /nfs/dbraw/zinc/17/01/94/646170194.db2.gz ZHMVXXMRBGMXEC-RNVIBTMRSA-N 1 0 242.366 3.618 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C/C=C\c1ccccc1 ZINC000925053419 646170966 /nfs/dbraw/zinc/17/09/66/646170966.db2.gz ZHMVXXMRBGMXEC-YHAOYDPOSA-N 1 0 242.366 3.618 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000925261403 646222666 /nfs/dbraw/zinc/22/26/66/646222666.db2.gz GQNVYIGUPHSPCG-NEPJUHHUSA-N 1 0 242.322 3.567 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000925261404 646223065 /nfs/dbraw/zinc/22/30/65/646223065.db2.gz GQNVYIGUPHSPCG-NWDGAFQWSA-N 1 0 242.322 3.567 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000925261405 646223715 /nfs/dbraw/zinc/22/37/15/646223715.db2.gz GQNVYIGUPHSPCG-RYUDHWBXSA-N 1 0 242.322 3.567 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000925261406 646223178 /nfs/dbraw/zinc/22/31/78/646223178.db2.gz GQNVYIGUPHSPCG-VXGBXAGGSA-N 1 0 242.322 3.567 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@H](C)c1coc2ccccc12 ZINC000925262551 711789037 /nfs/dbraw/zinc/78/90/37/711789037.db2.gz NMJNEYWGCFBRCU-GHMZBOCLSA-N 1 0 215.296 3.658 20 30 BHEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000925262562 636573823 /nfs/dbraw/zinc/57/38/23/636573823.db2.gz NMJNEYWGCFBRCU-MNOVXSKESA-N 1 0 215.296 3.658 20 30 BHEDRO C=C[C@H](C)[NH2+][C@@H](C)c1coc2ccccc12 ZINC000925262566 636573976 /nfs/dbraw/zinc/57/39/76/636573976.db2.gz NMJNEYWGCFBRCU-QWRGUYRKSA-N 1 0 215.296 3.658 20 30 BHEDRO C=C[C@H](C)[NH2+][C@H](C)c1coc2ccccc12 ZINC000925262569 636573121 /nfs/dbraw/zinc/57/31/21/636573121.db2.gz NMJNEYWGCFBRCU-WDEREUQCSA-N 1 0 215.296 3.658 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000925433611 646282070 /nfs/dbraw/zinc/28/20/70/646282070.db2.gz ZSRMAAZGWCIKMY-CHWSQXEVSA-N 1 0 247.382 3.529 20 30 BHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000925433612 646282671 /nfs/dbraw/zinc/28/26/71/646282671.db2.gz ZSRMAAZGWCIKMY-OLZOCXBDSA-N 1 0 247.382 3.529 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000925433613 646281734 /nfs/dbraw/zinc/28/17/34/646281734.db2.gz ZSRMAAZGWCIKMY-QWHCGFSZSA-N 1 0 247.382 3.529 20 30 BHEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000925433614 646281707 /nfs/dbraw/zinc/28/17/07/646281707.db2.gz ZSRMAAZGWCIKMY-STQMWFEESA-N 1 0 247.382 3.529 20 30 BHEDRO Cc1cccc(C)c1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925547136 633985177 /nfs/dbraw/zinc/98/51/77/633985177.db2.gz SFPBAOXIMXQBTG-AWEZNQCLSA-N 1 0 244.382 3.721 20 30 BHEDRO Cc1cccc(C)c1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000925547137 633984192 /nfs/dbraw/zinc/98/41/92/633984192.db2.gz SFPBAOXIMXQBTG-CQSZACIVSA-N 1 0 244.382 3.721 20 30 BHEDRO CC(C)C([NH2+][C@H](C)CC(C)(C)C#N)C(C)C ZINC000925566475 646338232 /nfs/dbraw/zinc/33/82/32/646338232.db2.gz IEUVKCZKWINAIQ-GFCCVEGCSA-N 1 0 224.392 3.585 20 30 BHEDRO CC(C)C([NH2+][C@@H](C)CC(C)(C)C#N)C(C)C ZINC000925566476 646338653 /nfs/dbraw/zinc/33/86/53/646338653.db2.gz IEUVKCZKWINAIQ-LBPRGKRZSA-N 1 0 224.392 3.585 20 30 BHEDRO C#CC[C@@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ccccc1 ZINC000925634881 646378251 /nfs/dbraw/zinc/37/82/51/646378251.db2.gz MGHQKOJYHMCWGU-GXTWGEPZSA-N 1 0 247.769 3.501 20 30 BHEDRO C#CC[C@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ccccc1 ZINC000925634882 646378650 /nfs/dbraw/zinc/37/86/50/646378650.db2.gz MGHQKOJYHMCWGU-JSGCOSHPSA-N 1 0 247.769 3.501 20 30 BHEDRO C#CC[C@H]([NH2+][C@H](C)C1(Cl)CC1)c1ccccc1 ZINC000925634883 646378204 /nfs/dbraw/zinc/37/82/04/646378204.db2.gz MGHQKOJYHMCWGU-OCCSQVGLSA-N 1 0 247.769 3.501 20 30 BHEDRO C#CC[C@@H]([NH2+][C@H](C)C1(Cl)CC1)c1ccccc1 ZINC000925634884 646377861 /nfs/dbraw/zinc/37/78/61/646377861.db2.gz MGHQKOJYHMCWGU-TZMCWYRMSA-N 1 0 247.769 3.501 20 30 BHEDRO CCCCCCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925703370 634379955 /nfs/dbraw/zinc/37/99/55/634379955.db2.gz TXWLLKAHCYRUMM-NFOMZHRRSA-N 1 0 239.403 3.504 20 30 BHEDRO CCCCCCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925703373 634380352 /nfs/dbraw/zinc/38/03/52/634380352.db2.gz TXWLLKAHCYRUMM-WLYUNCDWSA-N 1 0 239.403 3.504 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925711990 646437394 /nfs/dbraw/zinc/43/73/94/646437394.db2.gz YRYOKHIFNCVABV-AAEUAGOBSA-N 1 0 248.370 3.695 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925711991 646436510 /nfs/dbraw/zinc/43/65/10/646436510.db2.gz YRYOKHIFNCVABV-DGCLKSJQSA-N 1 0 248.370 3.695 20 30 BHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925711993 646436769 /nfs/dbraw/zinc/43/67/69/646436769.db2.gz YRYOKHIFNCVABV-WCQYABFASA-N 1 0 248.370 3.695 20 30 BHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925711994 711711599 /nfs/dbraw/zinc/71/15/99/711711599.db2.gz YRYOKHIFNCVABV-YPMHNXCESA-N 1 0 248.370 3.695 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1(c2ccccc2)CC1 ZINC000925825107 646498334 /nfs/dbraw/zinc/49/83/34/646498334.db2.gz APYLUVZCHUYFQF-CYBMUJFWSA-N 1 0 242.366 3.594 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1(c2ccccc2)CC1 ZINC000925825108 646497985 /nfs/dbraw/zinc/49/79/85/646497985.db2.gz APYLUVZCHUYFQF-ZDUSSCGKSA-N 1 0 242.366 3.594 20 30 BHEDRO Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCCC#N ZINC000926132625 646581853 /nfs/dbraw/zinc/58/18/53/646581853.db2.gz MSXFOLFUOCUQLC-LLVKDONJSA-N 1 0 242.322 3.696 20 30 BHEDRO Cc1oc2ccccc2c1[C@H](C)[NH2+]CCCC#N ZINC000926132627 646582867 /nfs/dbraw/zinc/58/28/67/646582867.db2.gz MSXFOLFUOCUQLC-NSHDSACASA-N 1 0 242.322 3.696 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926198929 646592752 /nfs/dbraw/zinc/59/27/52/646592752.db2.gz MSZCNEZFOAQTDA-CYBMUJFWSA-N 1 0 247.386 3.615 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926198930 646592676 /nfs/dbraw/zinc/59/26/76/646592676.db2.gz MSZCNEZFOAQTDA-ZDUSSCGKSA-N 1 0 247.386 3.615 20 30 BHEDRO C=CCCCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926200447 631407652 /nfs/dbraw/zinc/40/76/52/631407652.db2.gz TUSWEGLDQDNOLX-CYBMUJFWSA-N 1 0 247.386 3.615 20 30 BHEDRO C=CCCCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926200449 631407203 /nfs/dbraw/zinc/40/72/03/631407203.db2.gz TUSWEGLDQDNOLX-ZDUSSCGKSA-N 1 0 247.386 3.615 20 30 BHEDRO C=CC[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000926241610 646603172 /nfs/dbraw/zinc/60/31/72/646603172.db2.gz NBXMDBWDBWDCFK-SSDOTTSWSA-N 1 0 235.274 3.604 20 30 BHEDRO C=CC[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926241611 646602649 /nfs/dbraw/zinc/60/26/49/646602649.db2.gz NBXMDBWDBWDCFK-ZETCQYMHSA-N 1 0 235.274 3.604 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926321760 646616318 /nfs/dbraw/zinc/61/63/18/646616318.db2.gz BTMIITQIKMOEEZ-CYBMUJFWSA-N 1 0 247.382 3.531 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926321762 646615605 /nfs/dbraw/zinc/61/56/05/646615605.db2.gz BTMIITQIKMOEEZ-ZDUSSCGKSA-N 1 0 247.382 3.531 20 30 BHEDRO C=CCCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000926323537 646615749 /nfs/dbraw/zinc/61/57/49/646615749.db2.gz JKXDTYXXNNZYLT-GFCCVEGCSA-N 1 0 228.339 3.785 20 30 BHEDRO C=CCCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000926323541 646615998 /nfs/dbraw/zinc/61/59/98/646615998.db2.gz JKXDTYXXNNZYLT-LBPRGKRZSA-N 1 0 228.339 3.785 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926349796 646623219 /nfs/dbraw/zinc/62/32/19/646623219.db2.gz FCEIUWJJMWGULW-CHWSQXEVSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926349798 646623475 /nfs/dbraw/zinc/62/34/75/646623475.db2.gz FCEIUWJJMWGULW-OLZOCXBDSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926349800 646623242 /nfs/dbraw/zinc/62/32/42/646623242.db2.gz FCEIUWJJMWGULW-QWHCGFSZSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926349801 646623617 /nfs/dbraw/zinc/62/36/17/646623617.db2.gz FCEIUWJJMWGULW-STQMWFEESA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926350551 646623033 /nfs/dbraw/zinc/62/30/33/646623033.db2.gz KXFGPAGSZKIWJV-GXTWGEPZSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926350553 646624016 /nfs/dbraw/zinc/62/40/16/646624016.db2.gz KXFGPAGSZKIWJV-JSGCOSHPSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926350554 646623993 /nfs/dbraw/zinc/62/39/93/646623993.db2.gz KXFGPAGSZKIWJV-OCCSQVGLSA-N 1 0 247.386 3.613 20 30 BHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926350555 646623515 /nfs/dbraw/zinc/62/35/15/646623515.db2.gz KXFGPAGSZKIWJV-TZMCWYRMSA-N 1 0 247.386 3.613 20 30 BHEDRO CC(C)(C)[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000926355071 631734782 /nfs/dbraw/zinc/73/47/82/631734782.db2.gz BRYYLURPGZFTGK-PIMMBPRGSA-N 1 0 248.414 3.731 20 30 BHEDRO CC(C)(C)[C@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000926355072 631734883 /nfs/dbraw/zinc/73/48/83/631734883.db2.gz BRYYLURPGZFTGK-SSDMNJCBSA-N 1 0 248.414 3.731 20 30 BHEDRO N#CC1CCC(C[NH2+]C2CC3(C2)CCCC3)CC1 ZINC000926355252 646625460 /nfs/dbraw/zinc/62/54/60/646625460.db2.gz FAAYJPVBMCVFJV-UHFFFAOYSA-N 1 0 246.398 3.629 20 30 BHEDRO C=CCCCCCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926422989 646635254 /nfs/dbraw/zinc/63/52/54/646635254.db2.gz LVTLEAARHSBVSZ-CYBMUJFWSA-N 1 0 248.370 3.574 20 30 BHEDRO C=CCCCCCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926422990 646635300 /nfs/dbraw/zinc/63/53/00/646635300.db2.gz LVTLEAARHSBVSZ-ZDUSSCGKSA-N 1 0 248.370 3.574 20 30 BHEDRO CC(C)(CCC#N)C[NH2+]C1CC2(C1)CCCC2 ZINC000926426518 646636856 /nfs/dbraw/zinc/63/68/56/646636856.db2.gz HHHKWHFBKONYJA-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1ncco1 ZINC000926441607 646640095 /nfs/dbraw/zinc/64/00/95/646640095.db2.gz CUSFKLUUZBSXDP-CYBMUJFWSA-N 1 0 236.359 3.852 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1ncco1 ZINC000926441608 646640525 /nfs/dbraw/zinc/64/05/25/646640525.db2.gz CUSFKLUUZBSXDP-ZDUSSCGKSA-N 1 0 236.359 3.852 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1ccnnc1 ZINC000926441616 632051985 /nfs/dbraw/zinc/05/19/85/632051985.db2.gz CXUKFWVWDRRQMI-AWEZNQCLSA-N 1 0 247.386 3.654 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1ccnnc1 ZINC000926441617 632050850 /nfs/dbraw/zinc/05/08/50/632050850.db2.gz CXUKFWVWDRRQMI-CQSZACIVSA-N 1 0 247.386 3.654 20 30 BHEDRO C=CCCCCCCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926442862 646639475 /nfs/dbraw/zinc/63/94/75/646639475.db2.gz HTGXYZZFFAMZLJ-AWEZNQCLSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCCCCCCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000926442866 646639990 /nfs/dbraw/zinc/63/99/90/646639990.db2.gz HTGXYZZFFAMZLJ-CQSZACIVSA-N 1 0 249.402 3.597 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926481000 632115713 /nfs/dbraw/zinc/11/57/13/632115713.db2.gz GUHDVGLPICFMCV-GFCCVEGCSA-N 1 0 248.370 3.552 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000926481003 632116372 /nfs/dbraw/zinc/11/63/72/632116372.db2.gz GUHDVGLPICFMCV-LBPRGKRZSA-N 1 0 248.370 3.552 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1CC(C(C)(C)C)C1 ZINC000926481745 646655205 /nfs/dbraw/zinc/65/52/05/646655205.db2.gz JVPFQHXYKTVKKE-HIFPTAJRSA-N 1 0 236.403 3.729 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CC(C(C)(C)C)C1 ZINC000926481747 646654690 /nfs/dbraw/zinc/65/46/90/646654690.db2.gz JVPFQHXYKTVKKE-PNESKVBLSA-N 1 0 236.403 3.729 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000926483988 646656190 /nfs/dbraw/zinc/65/61/90/646656190.db2.gz WNXMHAGZMGCZNW-JTQLQIEISA-N 1 0 236.359 3.544 20 30 BHEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1c(C)noc1C ZINC000926483989 646650279 /nfs/dbraw/zinc/65/02/79/646650279.db2.gz WNXMHAGZMGCZNW-SNVBAGLBSA-N 1 0 236.359 3.544 20 30 BHEDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926511038 646669167 /nfs/dbraw/zinc/66/91/67/646669167.db2.gz BLCIBVCENIEXPD-AJNGGQMLSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926511039 646669872 /nfs/dbraw/zinc/66/98/72/646669872.db2.gz BLCIBVCENIEXPD-BYNSBNAKSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926511040 646669401 /nfs/dbraw/zinc/66/94/01/646669401.db2.gz BLCIBVCENIEXPD-XQLPTFJDSA-N 1 0 248.414 3.873 20 30 BHEDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926511041 646667585 /nfs/dbraw/zinc/66/75/85/646667585.db2.gz BLCIBVCENIEXPD-ZQDZILKHSA-N 1 0 248.414 3.873 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000926517771 645249761 /nfs/dbraw/zinc/24/97/61/645249761.db2.gz FFQFMXRJWFLUPH-GFCCVEGCSA-N 1 0 228.339 3.785 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000926517772 645250187 /nfs/dbraw/zinc/25/01/87/645250187.db2.gz FFQFMXRJWFLUPH-LBPRGKRZSA-N 1 0 228.339 3.785 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000926520483 645252098 /nfs/dbraw/zinc/25/20/98/645252098.db2.gz KAALCMPGBNQHEF-HNNXBMFYSA-N 1 0 244.382 3.725 20 30 BHEDRO C=CC(C)(C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000926520486 645252902 /nfs/dbraw/zinc/25/29/02/645252902.db2.gz KAALCMPGBNQHEF-OAHLLOKOSA-N 1 0 244.382 3.725 20 30 BHEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926522427 645252764 /nfs/dbraw/zinc/25/27/64/645252764.db2.gz WKQAESUATKOCJO-CYBMUJFWSA-N 1 0 247.382 3.531 20 30 BHEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926522428 645251937 /nfs/dbraw/zinc/25/19/37/645251937.db2.gz WKQAESUATKOCJO-ZDUSSCGKSA-N 1 0 247.382 3.531 20 30 BHEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926549854 645270200 /nfs/dbraw/zinc/27/02/00/645270200.db2.gz IZRGPKAJBPJSCE-CYBMUJFWSA-N 1 0 247.382 3.531 20 30 BHEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926549855 645271675 /nfs/dbraw/zinc/27/16/75/645271675.db2.gz IZRGPKAJBPJSCE-ZDUSSCGKSA-N 1 0 247.382 3.531 20 30 BHEDRO Cc1cccc2c1[C@@H]([NH2+]CC(C)(C)CC#N)CC2 ZINC000926569700 645289771 /nfs/dbraw/zinc/28/97/71/645289771.db2.gz SSBYIOSAKCGYRK-AWEZNQCLSA-N 1 0 242.366 3.512 20 30 BHEDRO Cc1cccc2c1[C@H]([NH2+]CC(C)(C)CC#N)CC2 ZINC000926569701 645290742 /nfs/dbraw/zinc/29/07/42/645290742.db2.gz SSBYIOSAKCGYRK-CQSZACIVSA-N 1 0 242.366 3.512 20 30 BHEDRO C=CCCCCC[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926667082 645344123 /nfs/dbraw/zinc/34/41/23/645344123.db2.gz XRDGSIUNTVSDEQ-CYBMUJFWSA-N 1 0 248.370 3.696 20 30 BHEDRO C=CCCCCC[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000926667087 645345809 /nfs/dbraw/zinc/34/58/09/645345809.db2.gz XRDGSIUNTVSDEQ-ZDUSSCGKSA-N 1 0 248.370 3.696 20 30 BHEDRO C=CCCCCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000926667389 645345589 /nfs/dbraw/zinc/34/55/89/645345589.db2.gz ZIZIMPUXBSLKDF-CYBMUJFWSA-N 1 0 222.376 3.651 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926667390 645345351 /nfs/dbraw/zinc/34/53/51/645345351.db2.gz ZIZIMPUXBSLKDF-ZDUSSCGKSA-N 1 0 222.376 3.651 20 30 BHEDRO C=CCC[NH2+][C@H](CCC)c1ncccc1Cl ZINC000926682328 645352013 /nfs/dbraw/zinc/35/20/13/645352013.db2.gz BDCUPZUKPLJOND-GFCCVEGCSA-N 1 0 238.762 3.742 20 30 BHEDRO C=CCC[NH2+][C@@H](CCC)c1ncccc1Cl ZINC000926682329 645353655 /nfs/dbraw/zinc/35/36/55/645353655.db2.gz BDCUPZUKPLJOND-LBPRGKRZSA-N 1 0 238.762 3.742 20 30 BHEDRO C=CCCC1(C[NH2+][C@H](C)c2ncco2)CCCC1 ZINC000926683561 645355157 /nfs/dbraw/zinc/35/51/57/645355157.db2.gz QKWOWDSYWXVAEC-CYBMUJFWSA-N 1 0 248.370 3.852 20 30 BHEDRO C=CCCC1(C[NH2+][C@@H](C)c2ncco2)CCCC1 ZINC000926683562 632816101 /nfs/dbraw/zinc/81/61/01/632816101.db2.gz QKWOWDSYWXVAEC-ZDUSSCGKSA-N 1 0 248.370 3.852 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000926684645 645355751 /nfs/dbraw/zinc/35/57/51/645355751.db2.gz HODWEOZOSGLAGO-GFCCVEGCSA-N 1 0 242.322 3.568 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926684646 645356320 /nfs/dbraw/zinc/35/63/20/645356320.db2.gz HODWEOZOSGLAGO-LBPRGKRZSA-N 1 0 242.322 3.568 20 30 BHEDRO C=CCC[NH2+][C@H](C)c1coc2ccccc12 ZINC000926686347 645355670 /nfs/dbraw/zinc/35/56/70/645355670.db2.gz UUAZLUWGJSWUFZ-LLVKDONJSA-N 1 0 215.296 3.660 20 30 BHEDRO C=CCC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000926686348 645355174 /nfs/dbraw/zinc/35/51/74/645355174.db2.gz UUAZLUWGJSWUFZ-NSHDSACASA-N 1 0 215.296 3.660 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1c(C)noc1C ZINC000926743286 632940938 /nfs/dbraw/zinc/94/09/38/632940938.db2.gz ATGVSKVWJFACSO-JTQLQIEISA-N 1 0 236.359 3.544 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1c(C)noc1C ZINC000926743287 632939958 /nfs/dbraw/zinc/93/99/58/632939958.db2.gz ATGVSKVWJFACSO-SNVBAGLBSA-N 1 0 236.359 3.544 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926744535 632941737 /nfs/dbraw/zinc/94/17/37/632941737.db2.gz CXHVRLOSJICDIV-GFCCVEGCSA-N 1 0 248.370 3.552 20 30 BHEDRO C=CC(C)(C)CC[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000926744538 632941955 /nfs/dbraw/zinc/94/19/55/632941955.db2.gz CXHVRLOSJICDIV-LBPRGKRZSA-N 1 0 248.370 3.552 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)Cc1ccccn1 ZINC000926780504 645428450 /nfs/dbraw/zinc/42/84/50/645428450.db2.gz CIUCGLIKURSQGL-AWEZNQCLSA-N 1 0 246.398 3.595 20 30 BHEDRO C=CCCC(C)(C)C[NH2+][C@H](C)Cc1ccccn1 ZINC000926780505 645427298 /nfs/dbraw/zinc/42/72/98/645427298.db2.gz CIUCGLIKURSQGL-CQSZACIVSA-N 1 0 246.398 3.595 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC[C@H]1C=CCC1 ZINC000926827075 633170134 /nfs/dbraw/zinc/17/01/34/633170134.db2.gz UVPITHSWALHQRJ-KBPBESRZSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC[C@H]1C=CCC1 ZINC000926827076 633169630 /nfs/dbraw/zinc/16/96/30/633169630.db2.gz UVPITHSWALHQRJ-KGLIPLIRSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC[C@@H]1C=CCC1 ZINC000926827077 633170400 /nfs/dbraw/zinc/17/04/00/633170400.db2.gz UVPITHSWALHQRJ-UONOGXRCSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC[C@@H]1C=CCC1 ZINC000926827078 633170034 /nfs/dbraw/zinc/17/00/34/633170034.db2.gz UVPITHSWALHQRJ-ZIAGYGMSSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)CC(F)F ZINC000926841255 645452918 /nfs/dbraw/zinc/45/29/18/645452918.db2.gz HRRABLOXRRZJLV-JTQLQIEISA-N 1 0 246.345 3.586 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)CC(F)F ZINC000926841256 645452445 /nfs/dbraw/zinc/45/24/45/645452445.db2.gz HRRABLOXRRZJLV-SNVBAGLBSA-N 1 0 246.345 3.586 20 30 BHEDRO C=C1CCC(C[NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000926925862 645490327 /nfs/dbraw/zinc/49/03/27/645490327.db2.gz PNOPLQITOBCPPE-AWEZNQCLSA-N 1 0 244.382 3.787 20 30 BHEDRO C=C1CCC(C[NH2+][C@H](C)c2cnccc2C)CC1 ZINC000926925863 645489901 /nfs/dbraw/zinc/48/99/01/645489901.db2.gz PNOPLQITOBCPPE-CQSZACIVSA-N 1 0 244.382 3.787 20 30 BHEDRO C=C1CCC(C[NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000926926815 645490441 /nfs/dbraw/zinc/49/04/41/645490441.db2.gz RHJJHCXBYSZTDU-LLVKDONJSA-N 1 0 243.341 3.756 20 30 BHEDRO C=C1CCC(C[NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000926926816 645490100 /nfs/dbraw/zinc/49/01/00/645490100.db2.gz RHJJHCXBYSZTDU-NSHDSACASA-N 1 0 243.341 3.756 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951194 645498110 /nfs/dbraw/zinc/49/81/10/645498110.db2.gz XHIVJQAJXNEPEY-GARJFASQSA-N 1 0 235.293 3.519 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951195 645499247 /nfs/dbraw/zinc/49/92/47/645499247.db2.gz XHIVJQAJXNEPEY-HBNTYKKESA-N 1 0 235.293 3.519 20 30 BHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC000926951305 645499364 /nfs/dbraw/zinc/49/93/64/645499364.db2.gz ZXBSXJCHUGILTI-QJPTWQEYSA-N 1 0 247.304 3.519 20 30 BHEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC000926951306 645499673 /nfs/dbraw/zinc/49/96/73/645499673.db2.gz ZXBSXJCHUGILTI-TUAOUCFPSA-N 1 0 247.304 3.519 20 30 BHEDRO C=CCC[C@H]([NH2+]Cc1ncc(C)cc1C)C1CC1 ZINC000926954041 645498172 /nfs/dbraw/zinc/49/81/72/645498172.db2.gz HFBGBQAJDIEQJP-HNNXBMFYSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CCC[C@@H]([NH2+]Cc1ncc(C)cc1C)C1CC1 ZINC000926954042 645498665 /nfs/dbraw/zinc/49/86/65/645498665.db2.gz HFBGBQAJDIEQJP-OAHLLOKOSA-N 1 0 244.382 3.533 20 30 BHEDRO C=CCC[C@H](CC)[NH2+]Cc1ncc(C)cc1C ZINC000926954049 645499568 /nfs/dbraw/zinc/49/95/68/645499568.db2.gz HGCNAPNKSSJGRC-AWEZNQCLSA-N 1 0 232.371 3.533 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+]Cc1ncc(C)cc1C ZINC000926954050 645499590 /nfs/dbraw/zinc/49/95/90/645499590.db2.gz HGCNAPNKSSJGRC-CQSZACIVSA-N 1 0 232.371 3.533 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)C1CC1 ZINC000927031288 645520923 /nfs/dbraw/zinc/52/09/23/645520923.db2.gz LSZYWLBPMWFGEV-BNOWGMLFSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CCS[C@@H](C)C1)C1CC1 ZINC000927031290 645519277 /nfs/dbraw/zinc/51/92/77/645519277.db2.gz LSZYWLBPMWFGEV-UBHSHLNASA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCC[C@H]([NH2+][C@H]1CCS[C@H](C)C1)C1CC1 ZINC000927031291 645521128 /nfs/dbraw/zinc/52/11/28/645521128.db2.gz LSZYWLBPMWFGEV-XBFCOCLRSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCC[C@H]([NH2+][C@@H]1CCS[C@@H](C)C1)C1CC1 ZINC000927031293 645519928 /nfs/dbraw/zinc/51/99/28/645519928.db2.gz LSZYWLBPMWFGEV-YUTCNCBUSA-N 1 0 239.428 3.605 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927034033 637005230 /nfs/dbraw/zinc/00/52/30/637005230.db2.gz BYCZRDLFNAFGNE-CHWSQXEVSA-N 1 0 239.428 3.749 20 30 BHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927034037 637005368 /nfs/dbraw/zinc/00/53/68/637005368.db2.gz BYCZRDLFNAFGNE-OLZOCXBDSA-N 1 0 239.428 3.749 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927034040 637005353 /nfs/dbraw/zinc/00/53/53/637005353.db2.gz BYCZRDLFNAFGNE-QWHCGFSZSA-N 1 0 239.428 3.749 20 30 BHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927034042 637004064 /nfs/dbraw/zinc/00/40/64/637004064.db2.gz BYCZRDLFNAFGNE-STQMWFEESA-N 1 0 239.428 3.749 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927035057 637006701 /nfs/dbraw/zinc/00/67/01/637006701.db2.gz ZUCHYOSSXZSLJK-AGIUHOORSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927035058 637006984 /nfs/dbraw/zinc/00/69/84/637006984.db2.gz ZUCHYOSSXZSLJK-AVGNSLFASA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927035059 637006193 /nfs/dbraw/zinc/00/61/93/637006193.db2.gz ZUCHYOSSXZSLJK-FRRDWIJNSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927035060 637007021 /nfs/dbraw/zinc/00/70/21/637007021.db2.gz ZUCHYOSSXZSLJK-RWMBFGLXSA-N 1 0 227.417 3.605 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059918 645534351 /nfs/dbraw/zinc/53/43/51/645534351.db2.gz PKGSDBOIOMTVIN-GZBFAFLISA-N 1 0 244.382 3.649 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059919 645535658 /nfs/dbraw/zinc/53/56/58/645535658.db2.gz PKGSDBOIOMTVIN-KCQAQPDRSA-N 1 0 244.382 3.649 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059920 645534300 /nfs/dbraw/zinc/53/43/00/645534300.db2.gz PKGSDBOIOMTVIN-UMVBOHGHSA-N 1 0 244.382 3.649 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059921 645535569 /nfs/dbraw/zinc/53/55/69/645535569.db2.gz PKGSDBOIOMTVIN-VNHYZAJKSA-N 1 0 244.382 3.649 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927060045 645535133 /nfs/dbraw/zinc/53/51/33/645535133.db2.gz QCZDSSGKRPWOIQ-HUUCEWRRSA-N 1 0 244.382 3.793 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927060046 645535742 /nfs/dbraw/zinc/53/57/42/645535742.db2.gz QCZDSSGKRPWOIQ-LSDHHAIUSA-N 1 0 244.382 3.793 20 30 BHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000927062909 645534844 /nfs/dbraw/zinc/53/48/44/645534844.db2.gz PKGSDBOIOMTVIN-GUTXKFCHSA-N 1 0 244.382 3.649 20 30 BHEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000927062911 645534008 /nfs/dbraw/zinc/53/40/08/645534008.db2.gz PKGSDBOIOMTVIN-IPYPFGDCSA-N 1 0 244.382 3.649 20 30 BHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000927062913 645535226 /nfs/dbraw/zinc/53/52/26/645535226.db2.gz PKGSDBOIOMTVIN-NFAWXSAZSA-N 1 0 244.382 3.649 20 30 BHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000927062914 645535781 /nfs/dbraw/zinc/53/57/81/645535781.db2.gz PKGSDBOIOMTVIN-YDHLFZDLSA-N 1 0 244.382 3.649 20 30 BHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCc2cccnc21 ZINC000927062944 645534454 /nfs/dbraw/zinc/53/44/54/645534454.db2.gz QCZDSSGKRPWOIQ-CABCVRRESA-N 1 0 244.382 3.793 20 30 BHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCc2cccnc21 ZINC000927062945 645535511 /nfs/dbraw/zinc/53/55/11/645535511.db2.gz QCZDSSGKRPWOIQ-GJZGRUSLSA-N 1 0 244.382 3.793 20 30 BHEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1CCC=CCC1 ZINC000927120524 637038117 /nfs/dbraw/zinc/03/81/17/637038117.db2.gz GMDORRJZKVMVCC-CYBMUJFWSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CCC=CCC1 ZINC000927120531 637037382 /nfs/dbraw/zinc/03/73/82/637037382.db2.gz GMDORRJZKVMVCC-ZDUSSCGKSA-N 1 0 234.387 3.651 20 30 BHEDRO CCCC[N@H+](C)CCCCC1(C#N)CCC1 ZINC000929125008 645957400 /nfs/dbraw/zinc/95/74/00/645957400.db2.gz OUMQWOMXDSCYET-UHFFFAOYSA-N 1 0 222.376 3.582 20 30 BHEDRO N#CC1CCC(C[NH+]2CCCCCCC2)CC1 ZINC000929128454 645961378 /nfs/dbraw/zinc/96/13/78/645961378.db2.gz OIPDQZXQYUMBLK-UHFFFAOYSA-N 1 0 234.387 3.582 20 30 BHEDRO C[N@H+](CCCCC1(C#N)CCC1)Cc1ccco1 ZINC000929140307 636831772 /nfs/dbraw/zinc/83/17/72/636831772.db2.gz XNAPJGZZSBOCGW-UHFFFAOYSA-N 1 0 246.354 3.576 20 30 BHEDRO CCC[N@H+](CCCCC1(C#N)CCC1)CC1CC1 ZINC000929142649 636835112 /nfs/dbraw/zinc/83/51/12/636835112.db2.gz FQQHVWCREFGEIW-UHFFFAOYSA-N 1 0 248.414 3.973 20 30 BHEDRO C[N@@H+](Cc1ccsc1)CC1CCC(C#N)CC1 ZINC000929179723 645988571 /nfs/dbraw/zinc/98/85/71/645988571.db2.gz KXFURBBHAXEBSZ-UHFFFAOYSA-N 1 0 248.395 3.510 20 30 BHEDRO C[N@H+](CCCCC1(C#N)CCC1)C1CCCC1 ZINC000929191488 645996325 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UQAJMBNIGLPMFC-UHFFFAOYSA-N 1 0 248.370 3.606 20 30 BHEDRO C#CCCCCCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000931255826 640115549 /nfs/dbraw/zinc/11/55/49/640115549.db2.gz VFBDTHQBFKRTDT-CYBMUJFWSA-N 1 0 243.341 3.690 20 30 BHEDRO C#CCCCCCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000931255827 640116453 /nfs/dbraw/zinc/11/64/53/640116453.db2.gz VFBDTHQBFKRTDT-ZDUSSCGKSA-N 1 0 243.341 3.690 20 30 BHEDRO C[C@]12CCCC[C@H]1C[N@@H+]2CC1CCC(C#N)CC1 ZINC000931331196 640159150 /nfs/dbraw/zinc/15/91/50/640159150.db2.gz FXIXUUSIBAWKIV-CKUJCDMFSA-N 1 0 246.398 3.581 20 30 BHEDRO N#CC1CCC(C[N@@H+]2CCCC3(CC3)CC2)CC1 ZINC000931333647 640161573 /nfs/dbraw/zinc/16/15/73/640161573.db2.gz BCZXVMPRKNRVPO-UHFFFAOYSA-N 1 0 246.398 3.582 20 30 BHEDRO C=CCCCCC[NH+]1CCC(c2ncco2)CC1 ZINC000931444378 640210847 /nfs/dbraw/zinc/21/08/47/640210847.db2.gz RGGNSTFVHVMJFB-UHFFFAOYSA-N 1 0 248.370 3.600 20 30 BHEDRO N#CC1(CCCC[NH2+]C2(C3CC3)CCC2)CCC1 ZINC000931763230 640356604 /nfs/dbraw/zinc/35/66/04/640356604.db2.gz BHPGSGITGUEPAA-UHFFFAOYSA-N 1 0 246.398 3.773 20 30 BHEDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCC#N ZINC000932276920 640468852 /nfs/dbraw/zinc/46/88/52/640468852.db2.gz YHFDPPBVRAARNR-GDBMZVCRSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCC#N ZINC000932276921 640469909 /nfs/dbraw/zinc/46/99/09/640469909.db2.gz YHFDPPBVRAARNR-GOEBONIOSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCC#N ZINC000932276922 640470528 /nfs/dbraw/zinc/47/05/28/640470528.db2.gz YHFDPPBVRAARNR-HOCLYGCPSA-N 1 0 242.366 3.558 20 30 BHEDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCC#N ZINC000932276923 640469316 /nfs/dbraw/zinc/46/93/16/640469316.db2.gz YHFDPPBVRAARNR-ZBFHGGJFSA-N 1 0 242.366 3.558 20 30 BHEDRO C=CCCCCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932386162 640513783 /nfs/dbraw/zinc/51/37/83/640513783.db2.gz ONKDPFRNNCWQRV-INIZCTEOSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932386163 640512537 /nfs/dbraw/zinc/51/25/37/640512537.db2.gz ONKDPFRNNCWQRV-MRXNPFEDSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CC[C@H](C)[N@@H+](Cc1ccccn1)CC(C)C ZINC000932446459 640529557 /nfs/dbraw/zinc/52/95/57/640529557.db2.gz LDRSIKSELPWTRA-AWEZNQCLSA-N 1 0 232.371 3.504 20 30 BHEDRO C=CC[C@@H](C)[N@@H+](Cc1ccccn1)CC(C)C ZINC000932446460 640530687 /nfs/dbraw/zinc/53/06/87/640530687.db2.gz LDRSIKSELPWTRA-CQSZACIVSA-N 1 0 232.371 3.504 20 30 BHEDRO C=C(C)CC[N@H+](Cc1ccccn1)CC(C)C ZINC000932449853 640529172 /nfs/dbraw/zinc/52/91/72/640529172.db2.gz TZDLERSHVCUXJV-UHFFFAOYSA-N 1 0 232.371 3.506 20 30 BHEDRO C#CC[N@@H+](CCCCC1(C#N)CCC1)C(C)(C)C ZINC000932461095 640531825 /nfs/dbraw/zinc/53/18/25/640531825.db2.gz QXTRWJNVLBDWIL-UHFFFAOYSA-N 1 0 246.398 3.584 20 30 BHEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000932560163 640575669 /nfs/dbraw/zinc/57/56/69/640575669.db2.gz DVHDHOLBFFBJAQ-GFCCVEGCSA-N 1 0 248.345 3.725 20 30 BHEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000932561718 640575591 /nfs/dbraw/zinc/57/55/91/640575591.db2.gz DVHDHOLBFFBJAQ-LBPRGKRZSA-N 1 0 248.345 3.725 20 30 BHEDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CCCC#N ZINC000932898854 640643694 /nfs/dbraw/zinc/64/36/94/640643694.db2.gz PKTCKWWSIUFMCT-HNNXBMFYSA-N 1 0 242.366 3.558 20 30 BHEDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CCCC#N ZINC000932898856 640643422 /nfs/dbraw/zinc/64/34/22/640643422.db2.gz PKTCKWWSIUFMCT-OAHLLOKOSA-N 1 0 242.366 3.558 20 30 BHEDRO C#CCC1([NH2+]CCCC(C)(F)F)CCCCC1 ZINC000933262948 640691551 /nfs/dbraw/zinc/69/15/51/640691551.db2.gz FWMXPIMTULJKQA-UHFFFAOYSA-N 1 0 243.341 3.738 20 30 BHEDRO C#CCC1([NH2+]CCCC(C)(C)C#N)CCCCC1 ZINC000933269245 642441797 /nfs/dbraw/zinc/44/17/97/642441797.db2.gz KUVOKFFHPWUVMP-UHFFFAOYSA-N 1 0 246.398 3.632 20 30 BHEDRO C#CCC1([NH2+]Cc2cccc(C(F)F)c2)CCC1 ZINC000933296705 640700755 /nfs/dbraw/zinc/70/07/55/640700755.db2.gz LJJXFEWUGPRPAF-UHFFFAOYSA-N 1 0 249.304 3.660 20 30 BHEDRO CCC[C@](C)([NH2+]CCCC#N)c1ccccc1 ZINC000934179276 641094377 /nfs/dbraw/zinc/09/43/77/641094377.db2.gz CBSXJNCSHJIZHB-HNNXBMFYSA-N 1 0 230.355 3.595 20 30 BHEDRO CCC[C@@](C)([NH2+]CCCC#N)c1ccccc1 ZINC000934179278 641095129 /nfs/dbraw/zinc/09/51/29/641095129.db2.gz CBSXJNCSHJIZHB-OAHLLOKOSA-N 1 0 230.355 3.595 20 30 BHEDRO CCC[C@](C)([NH2+]CCCCC#N)c1ccccc1 ZINC000934185568 641094845 /nfs/dbraw/zinc/09/48/45/641094845.db2.gz JYPQRPVBHXUUPB-INIZCTEOSA-N 1 0 244.382 3.985 20 30 BHEDRO CCC[C@@](C)([NH2+]CCCCC#N)c1ccccc1 ZINC000934185569 641096169 /nfs/dbraw/zinc/09/61/69/641096169.db2.gz JYPQRPVBHXUUPB-MRXNPFEDSA-N 1 0 244.382 3.985 20 30 BHEDRO CCCCC1([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000934201504 631729246 /nfs/dbraw/zinc/72/92/46/631729246.db2.gz XPHKFRZCLBOCIY-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO CCCCC1([NH2+]CCCC(C)(C)C#N)CC1 ZINC000934206573 641102823 /nfs/dbraw/zinc/10/28/23/641102823.db2.gz CKEAWHMOUIMWPJ-UHFFFAOYSA-N 1 0 222.376 3.629 20 30 BHEDRO C=CCC[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000934286433 631758686 /nfs/dbraw/zinc/75/86/86/631758686.db2.gz FOQXTXYRYOKBIC-AWEZNQCLSA-N 1 0 232.371 3.643 20 30 BHEDRO C=CCC[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934286434 631758899 /nfs/dbraw/zinc/75/88/99/631758899.db2.gz FOQXTXYRYOKBIC-CQSZACIVSA-N 1 0 232.371 3.643 20 30 BHEDRO C=C(C)C[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000934287332 631758576 /nfs/dbraw/zinc/75/85/76/631758576.db2.gz PEZKXSBQFBGALQ-AWEZNQCLSA-N 1 0 232.371 3.643 20 30 BHEDRO C=C(C)C[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934287333 631759364 /nfs/dbraw/zinc/75/93/64/631759364.db2.gz PEZKXSBQFBGALQ-CQSZACIVSA-N 1 0 232.371 3.643 20 30 BHEDRO N#CC1(CCCC[N@@H+]2CC[C@@H]3CCC[C@@H]32)CCC1 ZINC000934336778 641129090 /nfs/dbraw/zinc/12/90/90/641129090.db2.gz NUCQCVWDYCVRPD-GJZGRUSLSA-N 1 0 246.398 3.725 20 30 BHEDRO N#CC1(CCCC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCC1 ZINC000934346027 641130535 /nfs/dbraw/zinc/13/05/35/641130535.db2.gz UXQSOMFEPAGIKP-GASCZTMLSA-N 1 0 246.398 3.582 20 30 BHEDRO C=CC[C@H]1CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000934458910 641153453 /nfs/dbraw/zinc/15/34/53/641153453.db2.gz FTUYZEMBDVXWSN-AWEZNQCLSA-N 1 0 232.371 3.501 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000934458911 641155336 /nfs/dbraw/zinc/15/53/36/641155336.db2.gz FTUYZEMBDVXWSN-CQSZACIVSA-N 1 0 232.371 3.501 20 30 BHEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000934462020 631858815 /nfs/dbraw/zinc/85/88/15/631858815.db2.gz PZRWAEPCOHNLHT-CYBMUJFWSA-N 1 0 237.293 3.775 20 30 BHEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000934462027 631858611 /nfs/dbraw/zinc/85/86/11/631858611.db2.gz PZRWAEPCOHNLHT-ZDUSSCGKSA-N 1 0 237.293 3.775 20 30 BHEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc2ccccc2o1 ZINC000934462118 631858648 /nfs/dbraw/zinc/85/86/48/631858648.db2.gz VKWFRKPYQXWKME-NEPJUHHUSA-N 1 0 242.322 3.539 20 30 BHEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000934462119 631859697 /nfs/dbraw/zinc/85/96/97/631859697.db2.gz VKWFRKPYQXWKME-NWDGAFQWSA-N 1 0 242.322 3.539 20 30 BHEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000934462120 631858593 /nfs/dbraw/zinc/85/85/93/631858593.db2.gz VKWFRKPYQXWKME-RYUDHWBXSA-N 1 0 242.322 3.539 20 30 BHEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc2ccccc2o1 ZINC000934462121 631859656 /nfs/dbraw/zinc/85/96/56/631859656.db2.gz VKWFRKPYQXWKME-VXGBXAGGSA-N 1 0 242.322 3.539 20 30 BHEDRO C=CC[C@H]1CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000934462958 631857335 /nfs/dbraw/zinc/85/73/35/631857335.db2.gz SIJHVHZDYYFGGC-AWEZNQCLSA-N 1 0 232.371 3.501 20 30 BHEDRO C=CC[C@@H]1CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000934462959 631855965 /nfs/dbraw/zinc/85/59/65/631855965.db2.gz SIJHVHZDYYFGGC-CQSZACIVSA-N 1 0 232.371 3.501 20 30 BHEDRO C=CC[C@@H]1CC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000934466070 641162041 /nfs/dbraw/zinc/16/20/41/641162041.db2.gz YFPVHMRLQGIXQO-CYBMUJFWSA-N 1 0 237.293 3.775 20 30 BHEDRO C=CC[C@H]1CC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000934466071 641160806 /nfs/dbraw/zinc/16/08/06/641160806.db2.gz YFPVHMRLQGIXQO-ZDUSSCGKSA-N 1 0 237.293 3.775 20 30 BHEDRO C[C@@H]1CC=CC[C@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000934618016 641215303 /nfs/dbraw/zinc/21/53/03/641215303.db2.gz ROEPBOUDIARWOP-HUUCEWRRSA-N 1 0 246.398 3.795 20 30 BHEDRO C[C@@H]1CC=CC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000934620596 641217965 /nfs/dbraw/zinc/21/79/65/641217965.db2.gz BGDPPPMOLQPVBV-ZIAGYGMSSA-N 1 0 234.387 3.651 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1cccc(C#N)c1 ZINC000934621430 641218139 /nfs/dbraw/zinc/21/81/39/641218139.db2.gz GNBHHWDXEPZJLT-DVOMOZLQSA-N 1 0 240.350 3.564 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1cccc(C#N)c1 ZINC000934621436 641217089 /nfs/dbraw/zinc/21/70/89/641217089.db2.gz GNBHHWDXEPZJLT-XJKCOSOUSA-N 1 0 240.350 3.564 20 30 BHEDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1ccc(C#N)cc1 ZINC000934622670 641221086 /nfs/dbraw/zinc/22/10/86/641221086.db2.gz FULSMNGXUJVNCS-DVOMOZLQSA-N 1 0 240.350 3.564 20 30 BHEDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1ccc(C#N)cc1 ZINC000934622671 641219773 /nfs/dbraw/zinc/21/97/73/641219773.db2.gz FULSMNGXUJVNCS-XJKCOSOUSA-N 1 0 240.350 3.564 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cn(C(C)C)nc1C ZINC000934641324 641225924 /nfs/dbraw/zinc/22/59/24/641225924.db2.gz CNWSECHPSHSKIT-UHFFFAOYSA-N 1 0 249.402 3.561 20 30 BHEDRO C=CCCC[N@@H+](CC)CCCC(C)(F)F ZINC000934641696 641224287 /nfs/dbraw/zinc/22/42/87/641224287.db2.gz IGDZKCATBKAGMO-UHFFFAOYSA-N 1 0 219.319 3.710 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ncc(C(C)C)o1 ZINC000934642659 641224601 /nfs/dbraw/zinc/22/46/01/641224601.db2.gz OCBNZGGFKVOVTG-UHFFFAOYSA-N 1 0 236.359 3.586 20 30 BHEDRO C=CCCC[N@@H+](CC)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000934644051 641224328 /nfs/dbraw/zinc/22/43/28/641224328.db2.gz ZDFDFRCINHOKEZ-CLLJXQQHSA-N 1 0 243.341 3.566 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1sc(C)nc1C ZINC000934645118 641227732 /nfs/dbraw/zinc/22/77/32/641227732.db2.gz CMGFOMDNDRSOQN-UHFFFAOYSA-N 1 0 238.400 3.548 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccc(Cl)nc1 ZINC000934645443 641228150 /nfs/dbraw/zinc/22/81/50/641228150.db2.gz RKOSBAHHBJOWGJ-UHFFFAOYSA-N 1 0 238.762 3.523 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cccnc1Cl ZINC000934645498 641228775 /nfs/dbraw/zinc/22/87/75/641228775.db2.gz RRMWORHWBLJSDC-UHFFFAOYSA-N 1 0 238.762 3.523 20 30 BHEDRO C=CCCC[N@H+](CC)CCCCC(C)(C)C#N ZINC000934645539 641228140 /nfs/dbraw/zinc/22/81/40/641228140.db2.gz SXFXNFALFGRWAX-UHFFFAOYSA-N 1 0 236.403 3.995 20 30 BHEDRO C=CCCC[N@@H+](CC)CCCC(C)(C)C#N ZINC000934646018 641233144 /nfs/dbraw/zinc/23/31/44/641233144.db2.gz MDYPGHYYJCMQCO-UHFFFAOYSA-N 1 0 222.376 3.604 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccncc1Cl ZINC000934646078 641225803 /nfs/dbraw/zinc/22/58/03/641225803.db2.gz HOUJMCKYHBELOL-UHFFFAOYSA-N 1 0 238.762 3.523 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cccc(Cl)n1 ZINC000934646279 641231299 /nfs/dbraw/zinc/23/12/99/641231299.db2.gz NJLNWZDKKWJQQG-UHFFFAOYSA-N 1 0 238.762 3.523 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cncc(Cl)c1 ZINC000934646449 632000988 /nfs/dbraw/zinc/00/09/88/632000988.db2.gz FZMCANAZQZSDMT-UHFFFAOYSA-N 1 0 238.762 3.523 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1nc(C)c(C)s1 ZINC000934646593 641225860 /nfs/dbraw/zinc/22/58/60/641225860.db2.gz IKSYPRDMXLJUKB-UHFFFAOYSA-N 1 0 238.400 3.548 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1cnc(Cl)s1 ZINC000934646660 641232111 /nfs/dbraw/zinc/23/21/11/641232111.db2.gz RRMYPAAZIFIUPS-UHFFFAOYSA-N 1 0 244.791 3.585 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccnc(Cl)c1 ZINC000934646818 641231772 /nfs/dbraw/zinc/23/17/72/641231772.db2.gz WWGDCTWSASKKIW-UHFFFAOYSA-N 1 0 238.762 3.523 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ncccc1Cl ZINC000934647418 641230332 /nfs/dbraw/zinc/23/03/32/641230332.db2.gz OKJPQSRHRMXXIC-UHFFFAOYSA-N 1 0 238.762 3.523 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1ccc(Cl)cn1 ZINC000934647477 641232234 /nfs/dbraw/zinc/23/22/34/641232234.db2.gz OZIZPOBHBBSLJN-UHFFFAOYSA-N 1 0 238.762 3.523 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@H](C)c1ccc(F)nc1 ZINC000934647642 641232950 /nfs/dbraw/zinc/23/29/50/641232950.db2.gz QOIZRHPUSUYDFS-GFCCVEGCSA-N 1 0 236.334 3.570 20 30 BHEDRO C=CCCC[N@@H+](CC)[C@@H](C)c1ccc(F)nc1 ZINC000934647643 641231367 /nfs/dbraw/zinc/23/13/67/641231367.db2.gz QOIZRHPUSUYDFS-LBPRGKRZSA-N 1 0 236.334 3.570 20 30 BHEDRO C=CCCCN(CC)Cc1scnc1Cl ZINC000934647652 641226144 /nfs/dbraw/zinc/22/61/44/641226144.db2.gz RCJWGSJUPFJKSO-UHFFFAOYSA-N 1 0 244.791 3.585 20 30 BHEDRO C=CCCC[N@@H+](CC)Cc1nc2ccccc2o1 ZINC000934649076 641234798 /nfs/dbraw/zinc/23/47/98/641234798.db2.gz JFSRLTUFLBDYEE-UHFFFAOYSA-N 1 0 244.338 3.616 20 30 BHEDRO C=CCCCCC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934696762 641248519 /nfs/dbraw/zinc/24/85/19/641248519.db2.gz GZYUIRLSGAKRHG-INIZCTEOSA-N 1 0 244.382 3.869 20 30 BHEDRO C=CCCCCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934696765 641248100 /nfs/dbraw/zinc/24/81/00/641248100.db2.gz GZYUIRLSGAKRHG-MRXNPFEDSA-N 1 0 244.382 3.869 20 30 BHEDRO CC(C)(C#N)CC[NH2+]C1(C2CCCCC2)CC1 ZINC000934790298 641271753 /nfs/dbraw/zinc/27/17/53/641271753.db2.gz YBCGGZOZGDNRAE-UHFFFAOYSA-N 1 0 234.387 3.629 20 30 BHEDRO