smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@H](CNC(=O)CCN1CCCCCC1=O)c1ccco1 ZINC000952972787 721530281 /nfs/dbraw/zinc/53/02/81/721530281.db2.gz WSAUPDXMTNJJNK-CQSZACIVSA-N 1 1 321.421 1.791 50 0 DDAAMO CC(C)C[N@H+]1CCN(C(=O)CCc2ccncc2)C[C@H]1CCO ZINC000952976921 721530934 /nfs/dbraw/zinc/53/09/34/721530934.db2.gz YFZZCPMVXKHASF-QGZVFWFLSA-N 1 1 319.449 1.565 50 0 DDAAMO C[N@H+](Cc1ccon1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000952986580 721532918 /nfs/dbraw/zinc/53/29/18/721532918.db2.gz ZIPGAMXXFRNWTL-UHFFFAOYSA-N 1 1 300.362 1.806 50 0 DDAAMO C[N@@H+](Cc1ccon1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000952986580 721532920 /nfs/dbraw/zinc/53/29/20/721532920.db2.gz ZIPGAMXXFRNWTL-UHFFFAOYSA-N 1 1 300.362 1.806 50 0 DDAAMO CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000821285366 758153271 /nfs/dbraw/zinc/15/32/71/758153271.db2.gz IIDCOXATNFVVNX-WMZOPIPTSA-N 1 1 310.482 1.972 50 0 DDAAMO O=C(NCC1CC[NH+](Cc2cscn2)CC1)c1ccon1 ZINC000828228697 759564315 /nfs/dbraw/zinc/56/43/15/759564315.db2.gz AMZDNIPTNARZFI-UHFFFAOYSA-N 1 1 306.391 1.773 50 0 DDAAMO CC(C)C[N@@H+](C1CN(C(=O)c2cc[nH]n2)C1)C1CCOCC1 ZINC000581794646 761713001 /nfs/dbraw/zinc/71/30/01/761713001.db2.gz KRLSKZZTKFZSPX-UHFFFAOYSA-N 1 1 306.410 1.371 50 0 DDAAMO CC(C)C[N@H+](C1CN(C(=O)c2ccn[nH]2)C1)C1CCOCC1 ZINC000581794646 761713003 /nfs/dbraw/zinc/71/30/03/761713003.db2.gz KRLSKZZTKFZSPX-UHFFFAOYSA-N 1 1 306.410 1.371 50 0 DDAAMO CC(C)C[N@@H+](C1CN(C(=O)c2ccn[nH]2)C1)C1CCOCC1 ZINC000581794646 761713007 /nfs/dbraw/zinc/71/30/07/761713007.db2.gz KRLSKZZTKFZSPX-UHFFFAOYSA-N 1 1 306.410 1.371 50 0 DDAAMO CC(C)N1C(=O)C2(CCCCC2)[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000581821558 761720871 /nfs/dbraw/zinc/72/08/71/761720871.db2.gz GJUQPYWVDRUTEH-OAHLLOKOSA-N 1 1 321.465 1.720 50 0 DDAAMO CC[N@@H+](C)CCC(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 ZINC000219594150 771934471 /nfs/dbraw/zinc/93/44/71/771934471.db2.gz DWVFEUAVJKOWHZ-OAHLLOKOSA-N 1 1 317.433 1.518 50 0 DDAAMO C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1CO)Cc1cccc(F)c1 ZINC000585128189 771960311 /nfs/dbraw/zinc/96/03/11/771960311.db2.gz VCXCSQUZAFUMJM-XJKSGUPXSA-N 1 1 308.397 1.529 50 0 DDAAMO C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)Cc1cccc(F)c1 ZINC000585128189 771960314 /nfs/dbraw/zinc/96/03/14/771960314.db2.gz VCXCSQUZAFUMJM-XJKSGUPXSA-N 1 1 308.397 1.529 50 0 DDAAMO Cc1nc(NCCC[N@@H+]2CCC[C@@H](O)C2)c(Cl)c(=O)[nH]1 ZINC000952860530 775589556 /nfs/dbraw/zinc/58/95/56/775589556.db2.gz PUNQROVLNGXGIM-SNVBAGLBSA-N 1 1 300.790 1.403 50 0 DDAAMO Cc1nc(NCCC[N@H+]2CCC[C@@H](O)C2)c(Cl)c(=O)[nH]1 ZINC000952860530 775589561 /nfs/dbraw/zinc/58/95/61/775589561.db2.gz PUNQROVLNGXGIM-SNVBAGLBSA-N 1 1 300.790 1.403 50 0 DDAAMO CC(C)[C@@H]1C[N@H+](Cc2cccc(OCC(N)=O)c2)C[C@H]1N(C)C ZINC000095526809 185378093 /nfs/dbraw/zinc/37/80/93/185378093.db2.gz PDFRZPZIAOZROK-DLBZAZTESA-N 1 1 319.449 1.569 50 0 DDAAMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(OCC(N)=O)c2)C[C@H]1N(C)C ZINC000095526809 185378094 /nfs/dbraw/zinc/37/80/94/185378094.db2.gz PDFRZPZIAOZROK-DLBZAZTESA-N 1 1 319.449 1.569 50 0 DDAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCCC1CCCCC1 ZINC000078925043 185129879 /nfs/dbraw/zinc/12/98/79/185129879.db2.gz KLPSLYODPPGVGR-MRXNPFEDSA-N 1 1 310.486 1.892 50 0 DDAAMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccn2)[C@H](C)C1 ZINC000079361177 185167107 /nfs/dbraw/zinc/16/71/07/185167107.db2.gz BRKLRYQWJKYTMW-OAGGEKHMSA-N 1 1 322.453 1.697 50 0 DDAAMO COc1ccnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000065531236 539032891 /nfs/dbraw/zinc/03/28/91/539032891.db2.gz FMVDRRUHFYMXLM-OAHLLOKOSA-N 1 1 314.389 1.341 50 0 DDAAMO Cc1nn(CCO)cc1C[N@@H+](C)Cc1ccc2nonc2c1 ZINC000215736795 539264459 /nfs/dbraw/zinc/26/44/59/539264459.db2.gz ZGGZCICKJLPWIJ-UHFFFAOYSA-N 1 1 301.350 1.352 50 0 DDAAMO Cc1nn(CCO)cc1C[N@H+](C)Cc1ccc2nonc2c1 ZINC000215736795 539264461 /nfs/dbraw/zinc/26/44/61/539264461.db2.gz ZGGZCICKJLPWIJ-UHFFFAOYSA-N 1 1 301.350 1.352 50 0 DDAAMO CCN(C)c1ccccc1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000095389692 185351174 /nfs/dbraw/zinc/35/11/74/185351174.db2.gz CCCRNXFDWVUMRV-HNNXBMFYSA-N 1 1 318.465 1.395 50 0 DDAAMO CCN1CC[C@]2(CN(C(=O)c3cc[nH]c3)CC[N@H+]2C)CCC1=O ZINC000095392026 185351845 /nfs/dbraw/zinc/35/18/45/185351845.db2.gz JYWUBFHCXJXVKV-KRWDZBQOSA-N 1 1 318.421 1.174 50 0 DDAAMO Cc1cc(NC(=O)C[NH+]2CCC(C)CC2)c(C(N)=O)cc1F ZINC000095416976 185359257 /nfs/dbraw/zinc/35/92/57/185359257.db2.gz BKJFASNDKLIAOK-UHFFFAOYSA-N 1 1 307.369 1.903 50 0 DDAAMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000095409810 185357058 /nfs/dbraw/zinc/35/70/58/185357058.db2.gz AIHMAIBJDULAOK-LBPRGKRZSA-N 1 1 317.480 1.555 50 0 DDAAMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCC[N@@H+](C)CC1 ZINC000095442121 185366625 /nfs/dbraw/zinc/36/66/25/185366625.db2.gz CQJINMPELDAENB-HNNXBMFYSA-N 1 1 318.421 1.000 50 0 DDAAMO O=S(=O)(N[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000095457097 185370424 /nfs/dbraw/zinc/37/04/24/185370424.db2.gz NTGZXGYKLAEQMO-UONOGXRCSA-N 1 1 310.419 1.218 50 0 DDAAMO O=S(=O)(N[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000095457097 185370425 /nfs/dbraw/zinc/37/04/25/185370425.db2.gz NTGZXGYKLAEQMO-UONOGXRCSA-N 1 1 310.419 1.218 50 0 DDAAMO CCn1c(C)nnc1CN(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000083836870 192385724 /nfs/dbraw/zinc/38/57/24/192385724.db2.gz HXGQWZOTWCAGEX-OAHLLOKOSA-N 1 1 317.441 1.009 50 0 DDAAMO Cc1c[nH]c(C[N@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)c(C)c1=O ZINC000072128899 191042852 /nfs/dbraw/zinc/04/28/52/191042852.db2.gz PTWPRNADVIADFR-INIZCTEOSA-N 1 1 305.378 1.408 50 0 DDAAMO Cc1c[nH]c(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)c(C)c1=O ZINC000072128899 191042855 /nfs/dbraw/zinc/04/28/55/191042855.db2.gz PTWPRNADVIADFR-INIZCTEOSA-N 1 1 305.378 1.408 50 0 DDAAMO O=C(NCCc1cnc[nH]1)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000072155894 191059704 /nfs/dbraw/zinc/05/97/04/191059704.db2.gz VYFVMJLBVRNROK-OAHLLOKOSA-N 1 1 312.417 1.924 50 0 DDAAMO CC[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735647 192462751 /nfs/dbraw/zinc/46/27/51/192462751.db2.gz CDVDLGJRAZOMOS-KFWWJZLASA-N 1 1 306.410 1.013 50 0 DDAAMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H](O)c1ccccc1 ZINC000164073648 186147681 /nfs/dbraw/zinc/14/76/81/186147681.db2.gz XRBCYQVTKOISDK-KRWDZBQOSA-N 1 1 319.449 1.204 50 0 DDAAMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1ccccc1 ZINC000164073648 186147682 /nfs/dbraw/zinc/14/76/82/186147682.db2.gz XRBCYQVTKOISDK-KRWDZBQOSA-N 1 1 319.449 1.204 50 0 DDAAMO NC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000072319279 191120895 /nfs/dbraw/zinc/12/08/95/191120895.db2.gz UWJCXGCHBLFHMF-UONOGXRCSA-N 1 1 312.797 1.167 50 0 DDAAMO Cc1cc(C(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)n[nH]1 ZINC000072473752 191178102 /nfs/dbraw/zinc/17/81/02/191178102.db2.gz BSLNQAFQDFMKRC-UHFFFAOYSA-N 1 1 313.405 1.850 50 0 DDAAMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000075125914 353349015 /nfs/dbraw/zinc/34/90/15/353349015.db2.gz CDDMAAIRJZHCHL-LBPRGKRZSA-N 1 1 315.373 1.847 50 0 DDAAMO CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](CCn3cncn3)C2)o1 ZINC000076047874 353393313 /nfs/dbraw/zinc/39/33/13/353393313.db2.gz BTGFCOVFGLHCBD-CQSZACIVSA-N 1 1 318.425 1.596 50 0 DDAAMO Cc1nnc(CN(C)[C@H]2CC[N@@H+](CCc3ccncc3)C2)o1 ZINC000078891315 353537755 /nfs/dbraw/zinc/53/77/55/353537755.db2.gz RJVNSSPSSACFMY-HNNXBMFYSA-N 1 1 301.394 1.522 50 0 DDAAMO CC(C)N1C(=O)N[C@@](C)([C@H]2CCC[N@H+](Cc3ccon3)C2)C1=O ZINC000089869812 353781129 /nfs/dbraw/zinc/78/11/29/353781129.db2.gz YZZIACCBWUUUNF-LRDDRELGSA-N 1 1 320.393 1.606 50 0 DDAAMO CC(C)N1C(=O)N[C@@](C)([C@H]2CCC[N@@H+](Cc3ccon3)C2)C1=O ZINC000089869812 353781134 /nfs/dbraw/zinc/78/11/34/353781134.db2.gz YZZIACCBWUUUNF-LRDDRELGSA-N 1 1 320.393 1.606 50 0 DDAAMO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000004278238 181091460 /nfs/dbraw/zinc/09/14/60/181091460.db2.gz YKESGDAJVLVZAA-UHFFFAOYSA-N 1 1 301.434 1.992 50 0 DDAAMO Cc1cc(=NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH]n1C(C)C ZINC000584713866 354749850 /nfs/dbraw/zinc/74/98/50/354749850.db2.gz KBXWLAPRPVYVHA-AGUYFDCRSA-N 1 1 305.426 1.941 50 0 DDAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(CCCCO)CC1 ZINC000584898250 354798208 /nfs/dbraw/zinc/79/82/08/354798208.db2.gz UDDYLOOSWJSNHR-INIZCTEOSA-N 1 1 311.470 1.168 50 0 DDAAMO FC(F)(F)c1cc(N[C@@H]2Cc3c[nH+]cn3C2)n2ncnc2n1 ZINC000585136772 354813059 /nfs/dbraw/zinc/81/30/59/354813059.db2.gz RZPJCYICNXGHSA-SSDOTTSWSA-N 1 1 309.255 1.376 50 0 DDAAMO O=C(CN1CCCCC1=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000584891349 354793665 /nfs/dbraw/zinc/79/36/65/354793665.db2.gz MUMYKRNYTJHRCO-UHFFFAOYSA-N 1 1 321.465 1.866 50 0 DDAAMO COCC[C@@]1(CO)CCC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000091493699 193064175 /nfs/dbraw/zinc/06/41/75/193064175.db2.gz WRFOPCDPGLRJOA-KRWDZBQOSA-N 1 1 312.454 1.546 50 0 DDAAMO CCn1nc(C(C)C)cc1C(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000092107861 193160223 /nfs/dbraw/zinc/16/02/23/193160223.db2.gz ALVNDBYQXJKWPB-AWEZNQCLSA-N 1 1 322.453 1.461 50 0 DDAAMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000015724535 182013704 /nfs/dbraw/zinc/01/37/04/182013704.db2.gz KKIZAFMRMYUXOL-FRRDWIJNSA-N 1 1 309.362 1.264 50 0 DDAAMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000015724535 182013706 /nfs/dbraw/zinc/01/37/06/182013706.db2.gz KKIZAFMRMYUXOL-FRRDWIJNSA-N 1 1 309.362 1.264 50 0 DDAAMO Cc1[nH+]ccn1CCC(=O)NCc1ccccc1-n1cncn1 ZINC000019791424 182149313 /nfs/dbraw/zinc/14/93/13/182149313.db2.gz IGIYCFAEZPVXKG-UHFFFAOYSA-N 1 1 310.361 1.479 50 0 DDAAMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000019790810 182149348 /nfs/dbraw/zinc/14/93/48/182149348.db2.gz KKIZAFMRMYUXOL-UPJWGTAASA-N 1 1 309.362 1.264 50 0 DDAAMO O=C(/C=C/c1ccc2c(c1)OCO2)NCCC[NH+]1CCOCC1 ZINC000019850300 182157334 /nfs/dbraw/zinc/15/73/34/182157334.db2.gz WCZNYWOHTRMBAL-HWKANZROSA-N 1 1 318.373 1.267 50 0 DDAAMO O[C@H](COCCOc1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000019877704 182159683 /nfs/dbraw/zinc/15/96/83/182159683.db2.gz MDNMSFVEFBZWNP-AWEZNQCLSA-N 1 1 315.797 1.429 50 0 DDAAMO S=C(NC[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019973458 182171995 /nfs/dbraw/zinc/17/19/95/182171995.db2.gz NMABYTXIRVVZOL-MRXNPFEDSA-N 1 1 319.474 1.858 50 0 DDAAMO CCOC(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000020109563 182187922 /nfs/dbraw/zinc/18/79/22/182187922.db2.gz KQXJHNCMKCMCOA-MRXNPFEDSA-N 1 1 322.405 1.338 50 0 DDAAMO CC(=O)Nc1ccc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)cc1 ZINC000020500461 182225373 /nfs/dbraw/zinc/22/53/73/182225373.db2.gz MZOLXRMTQIVKLD-SFHVURJKSA-N 1 1 319.449 1.922 50 0 DDAAMO CCc1ccc(CCC(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000020726225 182244414 /nfs/dbraw/zinc/24/44/14/182244414.db2.gz VPUDIZLWCCZGBE-UHFFFAOYSA-N 1 1 317.477 1.935 50 0 DDAAMO Cc1ccc(-n2cccn2)c(CN2CC[N@H+](C)[C@@H](CCO)C2)c1 ZINC000020913851 182253526 /nfs/dbraw/zinc/25/35/26/182253526.db2.gz KWLZVVRBXFCFEE-KRWDZBQOSA-N 1 1 314.433 1.679 50 0 DDAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(C)[C@@H](CCO)C2)c1 ZINC000020913851 182253532 /nfs/dbraw/zinc/25/35/32/182253532.db2.gz KWLZVVRBXFCFEE-KRWDZBQOSA-N 1 1 314.433 1.679 50 0 DDAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(C)[C@@H](CCO)C2)c1 ZINC000020913851 182253534 /nfs/dbraw/zinc/25/35/34/182253534.db2.gz KWLZVVRBXFCFEE-KRWDZBQOSA-N 1 1 314.433 1.679 50 0 DDAAMO C[N@H+]1CCN(Cc2cc3c(cc2Cl)OCO3)C[C@@H]1CCO ZINC000020998786 182258869 /nfs/dbraw/zinc/25/88/69/182258869.db2.gz PPMJOPXJAGHPIB-LBPRGKRZSA-N 1 1 312.797 1.567 50 0 DDAAMO CNC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022807516 182335833 /nfs/dbraw/zinc/33/58/33/182335833.db2.gz JKPGEINTYFYPGD-UHFFFAOYSA-N 1 1 303.431 1.765 50 0 DDAAMO CCc1ccc([C@@H](C)NC(=O)CN2CC[NH+](CCO)CC2)cc1 ZINC000022943335 182343022 /nfs/dbraw/zinc/34/30/22/182343022.db2.gz KHPBVSDIXXXFPZ-OAHLLOKOSA-N 1 1 319.449 1.036 50 0 DDAAMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000023387331 182359190 /nfs/dbraw/zinc/35/91/90/182359190.db2.gz UZYFOVADTIITFO-ZBFHGGJFSA-N 1 1 307.390 1.333 50 0 DDAAMO 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COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000071904374 406864952 /nfs/dbraw/zinc/86/49/52/406864952.db2.gz INKMLYGDHKETLL-QGZVFWFLSA-N 1 1 314.385 1.960 50 0 DDAAMO CC(C)=CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000071910597 406866293 /nfs/dbraw/zinc/86/62/93/406866293.db2.gz LIQMVPBHWGTWHP-OAHLLOKOSA-N 1 1 302.422 1.675 50 0 DDAAMO COc1ccc(NC(=O)NC[C@H]2COCC[N@@H+](C)C2)c(OC)c1 ZINC000072135422 406873431 /nfs/dbraw/zinc/87/34/31/406873431.db2.gz HQIKJUZDTFVMHS-GFCCVEGCSA-N 1 1 323.393 1.404 50 0 DDAAMO Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)C[N@H+](C)C2CC2)n1 ZINC000072253032 406875328 /nfs/dbraw/zinc/87/53/28/406875328.db2.gz OFNGJZFFWHVCSG-INIZCTEOSA-N 1 1 304.438 1.975 50 0 DDAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](C)N(C)C(=O)[C@H]3C2)cc1C ZINC000014733843 406876612 /nfs/dbraw/zinc/87/66/12/406876612.db2.gz WUHBOYHQGZHLOV-GOEBONIOSA-N 1 1 315.417 1.177 50 0 DDAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](C)N(C)C(=O)[C@H]3C2)cc1C ZINC000014733843 406876615 /nfs/dbraw/zinc/87/66/15/406876615.db2.gz WUHBOYHQGZHLOV-GOEBONIOSA-N 1 1 315.417 1.177 50 0 DDAAMO COc1cccc2[nH]c(C(=O)NCCC[NH+]3CCOCC3)cc21 ZINC000020546761 406887409 /nfs/dbraw/zinc/88/74/09/406887409.db2.gz QPXLGESXAPRJJM-UHFFFAOYSA-N 1 1 317.389 1.629 50 0 DDAAMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000025410520 406897639 /nfs/dbraw/zinc/89/76/39/406897639.db2.gz DXGCNADPORGIHM-CYBMUJFWSA-N 1 1 315.417 1.157 50 0 DDAAMO Cc1cnc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000025633771 406899200 /nfs/dbraw/zinc/89/92/00/406899200.db2.gz AFJQBTZACIOMLU-CQSZACIVSA-N 1 1 310.401 1.962 50 0 DDAAMO CNS(=O)(=O)c1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000071762202 406841802 /nfs/dbraw/zinc/84/18/02/406841802.db2.gz ZSRSVGFJIVERER-CQSZACIVSA-N 1 1 312.435 1.596 50 0 DDAAMO Cc1nonc1C(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071758963 406842193 /nfs/dbraw/zinc/84/21/93/406842193.db2.gz RVEMRLXSRYEDCL-AWEZNQCLSA-N 1 1 306.410 1.961 50 0 DDAAMO CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000071810536 406845005 /nfs/dbraw/zinc/84/50/05/406845005.db2.gz CETFJGXAPMZJRN-JTQLQIEISA-N 1 1 321.343 1.981 50 0 DDAAMO CCc1cc(C(=O)N2CC[NH+](CC)CC2)c2c(C)noc2n1 ZINC000036621698 406981362 /nfs/dbraw/zinc/98/13/62/406981362.db2.gz KUEZBHCRTWSRNY-UHFFFAOYSA-N 1 1 302.378 1.871 50 0 DDAAMO C[C@H]1C[NH+](CCC(=O)Nc2sccc2C(N)=O)C[C@H](C)O1 ZINC000028842757 406919964 /nfs/dbraw/zinc/91/99/64/406919964.db2.gz APNXGVBNLCIGMF-UWVGGRQHSA-N 1 1 311.407 1.285 50 0 DDAAMO C[C@@H]1C[N@H+](CCCCNC(=O)Nc2nncs2)C[C@H](C)O1 ZINC000075110086 406921851 /nfs/dbraw/zinc/92/18/51/406921851.db2.gz JTIPIORVWTVKKP-PHIMTYICSA-N 1 1 313.427 1.549 50 0 DDAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000076058665 406952805 /nfs/dbraw/zinc/95/28/05/406952805.db2.gz BVFHMYIINSAVTH-RDBSUJKOSA-N 1 1 304.456 1.204 50 0 DDAAMO CC(C)n1cc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cn1 ZINC000076058684 406952809 /nfs/dbraw/zinc/95/28/09/406952809.db2.gz WRQQPDNYFFEPGK-OCCSQVGLSA-N 1 1 314.455 1.471 50 0 DDAAMO CCn1nc(C)cc1C(=O)OC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000077957710 407016504 /nfs/dbraw/zinc/01/65/04/407016504.db2.gz ZPELZPQECHJNPS-CQSZACIVSA-N 1 1 309.410 1.725 50 0 DDAAMO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1Cl ZINC000051562967 407141730 /nfs/dbraw/zinc/14/17/30/407141730.db2.gz NJHFGFNCWKMMFM-SMDDNHRTSA-N 1 1 323.824 1.776 50 0 DDAAMO CC(C)(C)OC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000089662517 407143451 /nfs/dbraw/zinc/14/34/51/407143451.db2.gz SLGGXAYHZKPSDL-HNNXBMFYSA-N 1 1 306.406 1.930 50 0 DDAAMO NC(=O)[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)C2CC2)C1 ZINC000052962046 407160274 /nfs/dbraw/zinc/16/02/74/407160274.db2.gz VGPRMHGWQQMJIE-LLVKDONJSA-N 1 1 307.419 1.046 50 0 DDAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccnc1-n1cccn1 ZINC000089938209 407160678 /nfs/dbraw/zinc/16/06/78/407160678.db2.gz HLNUNCWUJYOPEV-GFCCVEGCSA-N 1 1 300.366 1.435 50 0 DDAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccnc1-n1cccn1 ZINC000089938209 407160679 /nfs/dbraw/zinc/16/06/79/407160679.db2.gz HLNUNCWUJYOPEV-GFCCVEGCSA-N 1 1 300.366 1.435 50 0 DDAAMO CC(=O)Nc1ccc(F)c(C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000054098565 407178041 /nfs/dbraw/zinc/17/80/41/407178041.db2.gz XKTPHKPWNRRIJB-UHFFFAOYSA-N 1 1 319.380 1.952 50 0 DDAAMO Cc1cnc(CNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)cn1 ZINC000095363468 407208843 /nfs/dbraw/zinc/20/88/43/407208843.db2.gz CLIYYBGQSMVWQZ-CQSZACIVSA-N 1 1 318.421 1.292 50 0 DDAAMO C[NH+]1CCN(C(=O)NC[C@H]2CCOc3ccccc3C2)CC1 ZINC000095382269 407212643 /nfs/dbraw/zinc/21/26/43/407212643.db2.gz DUTXYLGNEUKBHG-AWEZNQCLSA-N 1 1 303.406 1.585 50 0 DDAAMO CC(C)[C@H]([NH2+]Cc1nccn1C(C)C)C(=O)N1CCOCC1 ZINC000095985485 407221418 /nfs/dbraw/zinc/22/14/18/407221418.db2.gz ONNAHGHEICRVEQ-HNNXBMFYSA-N 1 1 308.426 1.437 50 0 DDAAMO COCC[N@H+]1CC[C@H](CNc2nccc(-c3ccccn3)n2)C1 ZINC000096139261 407240830 /nfs/dbraw/zinc/24/08/30/407240830.db2.gz PKVZDKVKICWWMJ-CQSZACIVSA-N 1 1 313.405 1.919 50 0 DDAAMO CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096141164 407240856 /nfs/dbraw/zinc/24/08/56/407240856.db2.gz YLACYMNZZSNXAF-YOEHRIQHSA-N 1 1 317.389 1.093 50 0 DDAAMO CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096141164 407240859 /nfs/dbraw/zinc/24/08/59/407240859.db2.gz YLACYMNZZSNXAF-YOEHRIQHSA-N 1 1 317.389 1.093 50 0 DDAAMO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096141164 407240860 /nfs/dbraw/zinc/24/08/60/407240860.db2.gz YLACYMNZZSNXAF-YOEHRIQHSA-N 1 1 317.389 1.093 50 0 DDAAMO CCc1nc(C)c(C[N@H+]2CCc3nc(C)n(C)c(=O)c3CC2)[nH]1 ZINC000065409956 407243714 /nfs/dbraw/zinc/24/37/14/407243714.db2.gz ITYVSVBNXBHMNZ-UHFFFAOYSA-N 1 1 315.421 1.283 50 0 DDAAMO CCc1cc(=O)[nH]c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)n1 ZINC000096467049 407270168 /nfs/dbraw/zinc/27/01/68/407270168.db2.gz XLTQOHCUBUMYEO-MRXNPFEDSA-N 1 1 313.401 1.814 50 0 DDAAMO CCc1cc(=O)[nH]c(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)n1 ZINC000096467049 407270170 /nfs/dbraw/zinc/27/01/70/407270170.db2.gz XLTQOHCUBUMYEO-MRXNPFEDSA-N 1 1 313.401 1.814 50 0 DDAAMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccs2)[C@H](C)C1 ZINC000096491173 407272504 /nfs/dbraw/zinc/27/25/04/407272504.db2.gz WHVBHGSFOYPNFZ-GFCCVEGCSA-N 1 1 310.419 1.386 50 0 DDAAMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2cccs2)[C@H](C)C1 ZINC000096491173 407272506 /nfs/dbraw/zinc/27/25/06/407272506.db2.gz WHVBHGSFOYPNFZ-GFCCVEGCSA-N 1 1 310.419 1.386 50 0 DDAAMO CC1([C@H]2CCC[N@@H+](Cc3cc(C(N)=O)cs3)C2)OCCO1 ZINC000097108679 407281532 /nfs/dbraw/zinc/28/15/32/407281532.db2.gz KGSWKFJJYFXKMB-LBPRGKRZSA-N 1 1 310.419 1.822 50 0 DDAAMO CCCC[N@H+]1CC[C@H](CNC(=O)c2c(C)nc3ncccn32)C1 ZINC000067784929 407284758 /nfs/dbraw/zinc/28/47/58/407284758.db2.gz AZZKVXDWVJGLNF-CQSZACIVSA-N 1 1 315.421 1.890 50 0 DDAAMO C[N@H+]1CCC[C@H](CCNC(=O)c2cnnn2-c2ccccc2)C1 ZINC000067820415 407285112 /nfs/dbraw/zinc/28/51/12/407285112.db2.gz LFGPWELLUMHGTI-CQSZACIVSA-N 1 1 313.405 1.729 50 0 DDAAMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000097235602 407289333 /nfs/dbraw/zinc/28/93/33/407289333.db2.gz YJIAZQULELQLNO-IACUBPJLSA-N 1 1 312.435 1.917 50 0 DDAAMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000097235602 407289335 /nfs/dbraw/zinc/28/93/35/407289335.db2.gz YJIAZQULELQLNO-IACUBPJLSA-N 1 1 312.435 1.917 50 0 DDAAMO CCC1CCC(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000067967331 407291983 /nfs/dbraw/zinc/29/19/83/407291983.db2.gz UKNQRFNDZCVZEP-HWOWSKLDSA-N 1 1 323.481 1.777 50 0 DDAAMO Cc1[nH+]ccn1CC1(CNC(=O)CCCc2cn[nH]c2)CC1 ZINC000097360215 407292017 /nfs/dbraw/zinc/29/20/17/407292017.db2.gz QIGRRANHQUWFPU-UHFFFAOYSA-N 1 1 301.394 1.834 50 0 DDAAMO COc1cc2c(cc1C[N@H+](C)CCN1CCCCC1=O)OCO2 ZINC000097436876 407293868 /nfs/dbraw/zinc/29/38/68/407293868.db2.gz KSBVUVMJZPJJLE-UHFFFAOYSA-N 1 1 320.389 1.868 50 0 DDAAMO COc1cc2c(cc1C[N@@H+](C)CCN1CCCCC1=O)OCO2 ZINC000097436876 407293869 /nfs/dbraw/zinc/29/38/69/407293869.db2.gz KSBVUVMJZPJJLE-UHFFFAOYSA-N 1 1 320.389 1.868 50 0 DDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCCc2ccc(F)cc2)C1 ZINC000097742976 407302194 /nfs/dbraw/zinc/30/21/94/407302194.db2.gz YZYFYFONHPXBMQ-CQSZACIVSA-N 1 1 321.396 1.072 50 0 DDAAMO CNC(=O)c1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000098055824 407305213 /nfs/dbraw/zinc/30/52/13/407305213.db2.gz QYAAEZUIMSTQSY-XURPKSDJSA-N 1 1 301.390 1.222 50 0 DDAAMO O=C1C[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)C(=O)N1Cc1ccccc1 ZINC000110677802 407399604 /nfs/dbraw/zinc/39/96/04/407399604.db2.gz WRYZXZTUYUUWRD-CRAIPNDOSA-N 1 1 314.385 1.427 50 0 DDAAMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1(C2CC2)CC1 ZINC000195571641 407468541 /nfs/dbraw/zinc/46/85/41/407468541.db2.gz FQGLVCWPEREQPG-ZDUSSCGKSA-N 1 1 309.454 1.663 50 0 DDAAMO CCn1ncnc1CN1CC[NH+](Cc2ccccc2CO)CC1 ZINC000215250277 407481629 /nfs/dbraw/zinc/48/16/29/407481629.db2.gz AMZZCDCPPWSPBE-UHFFFAOYSA-N 1 1 315.421 1.108 50 0 DDAAMO COC[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1C(N)=O ZINC000257195798 407489901 /nfs/dbraw/zinc/48/99/01/407489901.db2.gz WXRGGTYRZCKUHA-NWDGAFQWSA-N 1 1 316.323 1.885 50 0 DDAAMO CC(C)OC[C@H](O)C[N@H+](C)CCSC[C@@H](O)COC(C)C ZINC000253431794 407449109 /nfs/dbraw/zinc/44/91/09/407449109.db2.gz XNPYNMBRABZBKU-CABCVRRESA-N 1 1 323.499 1.223 50 0 DDAAMO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCS(=O)(=O)C2)o1 ZINC000253433166 407450562 /nfs/dbraw/zinc/45/05/62/407450562.db2.gz STEPYIAOCYNNBQ-OCCSQVGLSA-N 1 1 313.419 1.998 50 0 DDAAMO COCc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCS(=O)(=O)C2)o1 ZINC000253433166 407450568 /nfs/dbraw/zinc/45/05/68/407450568.db2.gz STEPYIAOCYNNBQ-OCCSQVGLSA-N 1 1 313.419 1.998 50 0 DDAAMO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cccn2)no1 ZINC000253478135 407451739 /nfs/dbraw/zinc/45/17/39/407451739.db2.gz JJHJRZJZYXNYOE-OLZOCXBDSA-N 1 1 303.366 1.671 50 0 DDAAMO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cccn2)no1 ZINC000253478135 407451742 /nfs/dbraw/zinc/45/17/42/407451742.db2.gz JJHJRZJZYXNYOE-OLZOCXBDSA-N 1 1 303.366 1.671 50 0 DDAAMO CN(C)C(=O)[C@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000170621631 407456673 /nfs/dbraw/zinc/45/66/73/407456673.db2.gz VUJZRLCYPZANPV-LHSJRXKWSA-N 1 1 308.447 1.594 50 0 DDAAMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000221873822 407551282 /nfs/dbraw/zinc/55/12/82/407551282.db2.gz HPSKVRUQRCWZDL-RFQIPJPRSA-N 1 1 304.456 1.061 50 0 DDAAMO C[C@@H]1C[C@H](NC(=O)NC2CCC3(CC2)OCCO3)C[N@H+]1C1CC1 ZINC000128816245 407575848 /nfs/dbraw/zinc/57/58/48/407575848.db2.gz SFASIHSFSHVXJZ-OCCSQVGLSA-N 1 1 323.437 1.597 50 0 DDAAMO NC(=O)C[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000225398833 407581567 /nfs/dbraw/zinc/58/15/67/407581567.db2.gz PTZMOLPYDFXWKU-IUODEOHRSA-N 1 1 301.390 1.527 50 0 DDAAMO Cc1nc(C2CC(O)C2)cc(N(C)CCCc2[nH+]ccn2C)n1 ZINC000219241607 407527500 /nfs/dbraw/zinc/52/75/00/407527500.db2.gz FJQHJBJEXNNWMJ-UHFFFAOYSA-N 1 1 315.421 1.826 50 0 DDAAMO Cc1cc(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)on1 ZINC000220121840 407538439 /nfs/dbraw/zinc/53/84/39/407538439.db2.gz BBJOGKCOVJPQAX-OAHLLOKOSA-N 1 1 321.421 1.629 50 0 DDAAMO Cc1nnnn1CCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000225847354 407607941 /nfs/dbraw/zinc/60/79/41/407607941.db2.gz OBTZRSDFSCWHQX-KRWDZBQOSA-N 1 1 313.405 1.546 50 0 DDAAMO Cc1cc2ncn(C[C@H](O)C[N@H+]3CCO[C@@H](C)C3)c2cc1C ZINC000229235411 407657810 /nfs/dbraw/zinc/65/78/10/407657810.db2.gz WEGIZTOWBODOHK-LSDHHAIUSA-N 1 1 303.406 1.735 50 0 DDAAMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000230182851 407681541 /nfs/dbraw/zinc/68/15/41/407681541.db2.gz UPWXSSKOEWWWSR-OKZBNKHCSA-N 1 1 320.433 1.729 50 0 DDAAMO CC1CCN(C[C@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000229514924 407665076 /nfs/dbraw/zinc/66/50/76/407665076.db2.gz AWGUJNUKOFXHFG-SJORKVTESA-N 1 1 321.469 1.083 50 0 DDAAMO CC1CCN(C[C@H](O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000229514924 407665080 /nfs/dbraw/zinc/66/50/80/407665080.db2.gz AWGUJNUKOFXHFG-SJORKVTESA-N 1 1 321.469 1.083 50 0 DDAAMO CC[N@H+]1C[C@H](NC(=O)c2cn3cccc(C)c3n2)[C@@H](OC)C1 ZINC000244811367 407938370 /nfs/dbraw/zinc/93/83/70/407938370.db2.gz SBOKMBCXPTVDBL-JSGCOSHPSA-N 1 1 302.378 1.092 50 0 DDAAMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cnc2c(c1)nnn2C ZINC000182875108 408271529 /nfs/dbraw/zinc/27/15/29/408271529.db2.gz HTDDQFYMIPCNFK-CYBMUJFWSA-N 1 1 316.409 1.310 50 0 DDAAMO C[C@H](O)C[N@H+]1CCN(Cc2nc(-c3cccnc3)no2)C[C@H]1C ZINC000247053283 408397189 /nfs/dbraw/zinc/39/71/89/408397189.db2.gz FHRSGEPCHWFKKZ-OLZOCXBDSA-N 1 1 317.393 1.019 50 0 DDAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1cnn(C)c1 ZINC000248104910 408534394 /nfs/dbraw/zinc/53/43/94/408534394.db2.gz FRWYLPAIDWZGTR-HZPDHXFCSA-N 1 1 304.438 1.828 50 0 DDAAMO Cn1nc2c(cc1=O)C[N@H+]([C@@H]1CCc3ccccc3NC1=O)CC2 ZINC000192049520 408535778 /nfs/dbraw/zinc/53/57/78/408535778.db2.gz XHEOJCYZCLBOOA-MRXNPFEDSA-N 1 1 324.384 1.092 50 0 DDAAMO Cn1nc2c(cc1=O)C[N@@H+]([C@@H]1CCc3ccccc3NC1=O)CC2 ZINC000192049520 408535781 /nfs/dbraw/zinc/53/57/81/408535781.db2.gz XHEOJCYZCLBOOA-MRXNPFEDSA-N 1 1 324.384 1.092 50 0 DDAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000248154721 408538921 /nfs/dbraw/zinc/53/89/21/408538921.db2.gz VIULECGGFYUZIS-NXOAAHMSSA-N 1 1 316.449 1.999 50 0 DDAAMO CCn1nccc1C[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000184756238 408684079 /nfs/dbraw/zinc/68/40/79/408684079.db2.gz XRLCLRMTJYKFRW-UHFFFAOYSA-N 1 1 318.381 1.118 50 0 DDAAMO C[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]2CCCC[C@H]12 ZINC000252467409 408795790 /nfs/dbraw/zinc/79/57/90/408795790.db2.gz IIVVGEWNLZBMHS-BPLDGKMQSA-N 1 1 305.422 1.485 50 0 DDAAMO CC(C)Cc1cc(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)on1 ZINC000252481925 408797053 /nfs/dbraw/zinc/79/70/53/408797053.db2.gz CVPIIUCMRPFXDA-CYBMUJFWSA-N 1 1 308.426 1.125 50 0 DDAAMO COCCc1noc([C@@H]2C[N@H+](C3CCCCCC3)C[C@H]2CO)n1 ZINC000253398129 408814732 /nfs/dbraw/zinc/81/47/32/408814732.db2.gz BYIBUCIGBYQRJJ-DZGCQCFKSA-N 1 1 323.437 1.989 50 0 DDAAMO O[C@H](C[N@@H+]1CCCN(c2ncccc2F)CC1)C(F)(F)F ZINC000252570644 408805010 /nfs/dbraw/zinc/80/50/10/408805010.db2.gz XBKOCEXCNCQRFA-LLVKDONJSA-N 1 1 307.291 1.656 50 0 DDAAMO O[C@H](C[N@H+]1CCCN(c2ncccc2F)CC1)C(F)(F)F ZINC000252570644 408805014 /nfs/dbraw/zinc/80/50/14/408805014.db2.gz XBKOCEXCNCQRFA-LLVKDONJSA-N 1 1 307.291 1.656 50 0 DDAAMO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000167397280 408817440 /nfs/dbraw/zinc/81/74/40/408817440.db2.gz WZZBZUCCMNUDSP-INIZCTEOSA-N 1 1 317.433 1.330 50 0 DDAAMO Nc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)cs1 ZINC000299792755 410631474 /nfs/dbraw/zinc/63/14/74/410631474.db2.gz GPTWNVPLNTYGFE-LBPRGKRZSA-N 1 1 317.418 1.515 50 0 DDAAMO Nc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cs1 ZINC000299792755 410631479 /nfs/dbraw/zinc/63/14/79/410631479.db2.gz GPTWNVPLNTYGFE-LBPRGKRZSA-N 1 1 317.418 1.515 50 0 DDAAMO CCCn1nccc1NC(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000299789149 410631603 /nfs/dbraw/zinc/63/16/03/410631603.db2.gz WJTGUHWKTQWQHC-ZDUSSCGKSA-N 1 1 309.414 1.119 50 0 DDAAMO CCc1cc(N[C@H]2C[N@H+](C)C[C@@H]2OC)nc(N2CCCC2)n1 ZINC000534587390 416507246 /nfs/dbraw/zinc/50/72/46/416507246.db2.gz RYYRTDQTXHLPKT-KBPBESRZSA-N 1 1 305.426 1.380 50 0 DDAAMO CCc1cc(N[C@H]2C[N@@H+](C)C[C@@H]2OC)nc(N2CCCC2)n1 ZINC000534587390 416507249 /nfs/dbraw/zinc/50/72/49/416507249.db2.gz RYYRTDQTXHLPKT-KBPBESRZSA-N 1 1 305.426 1.380 50 0 DDAAMO Cc1cnc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000044911308 418432274 /nfs/dbraw/zinc/43/22/74/418432274.db2.gz QXDWJXBXXZUHIP-AWEZNQCLSA-N 1 1 304.394 1.112 50 0 DDAAMO CC[C@@](C)(CNC(=O)N(C)Cc1cc(C)on1)[NH+]1CCOCC1 ZINC000046940308 418450244 /nfs/dbraw/zinc/45/02/44/418450244.db2.gz DUUDLRGVSWVDFZ-INIZCTEOSA-N 1 1 324.425 1.625 50 0 DDAAMO CC(C)c1noc(CN(C)C(=O)CC[N@@H+](C)[C@@H]2CCN(C)C2)n1 ZINC000426479837 419483657 /nfs/dbraw/zinc/48/36/57/419483657.db2.gz WCDOHJJPOHNDJY-CYBMUJFWSA-N 1 1 323.441 1.177 50 0 DDAAMO CC(C)c1noc(CN(C)C(=O)CCN(C)[C@@H]2CC[N@H+](C)C2)n1 ZINC000426479837 419483670 /nfs/dbraw/zinc/48/36/70/419483670.db2.gz WCDOHJJPOHNDJY-CYBMUJFWSA-N 1 1 323.441 1.177 50 0 DDAAMO CC(C)c1noc(CN(C)C(=O)CCN(C)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000426479837 419483677 /nfs/dbraw/zinc/48/36/77/419483677.db2.gz WCDOHJJPOHNDJY-CYBMUJFWSA-N 1 1 323.441 1.177 50 0 DDAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)N1CC(c2ccncc2)C1 ZINC000426394532 419458079 /nfs/dbraw/zinc/45/80/79/419458079.db2.gz HMBMEHFWCGMHSD-INIZCTEOSA-N 1 1 318.421 1.037 50 0 DDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000426538420 419502515 /nfs/dbraw/zinc/50/25/15/419502515.db2.gz MDYATNSQNBUFGG-DTORHVGOSA-N 1 1 319.331 1.703 50 0 DDAAMO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000299740332 229375419 /nfs/dbraw/zinc/37/54/19/229375419.db2.gz YOCSFGNHNNYQQJ-KYJSFNMBSA-N 1 1 316.449 1.408 50 0 DDAAMO CC[N@H+]1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)[C@H](C)C1 ZINC000583651861 422209264 /nfs/dbraw/zinc/20/92/64/422209264.db2.gz UKALOYHPGSQXMO-LLVKDONJSA-N 1 1 314.455 1.142 50 0 DDAAMO C[C@@H](O)[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000585113781 422306248 /nfs/dbraw/zinc/30/62/48/422306248.db2.gz KQTJYDVHRDKJGP-HYVNUMGLSA-N 1 1 317.433 1.665 50 0 DDAAMO COc1ccc2c(c1)[C@H](C(=O)N1CCC[N@@H+](C)CC1)CC(=O)N2 ZINC000091986914 274134990 /nfs/dbraw/zinc/13/49/90/274134990.db2.gz WVGIAANOZCYIDB-CQSZACIVSA-N 1 1 317.389 1.285 50 0 DDAAMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000230071323 277043683 /nfs/dbraw/zinc/04/36/83/277043683.db2.gz TXUISLHKMVLZTK-GVDBMIGSSA-N 1 1 321.465 1.768 50 0 DDAAMO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000065515134 288076614 /nfs/dbraw/zinc/07/66/14/288076614.db2.gz SQHVNISFMONEJO-RDBSUJKOSA-N 1 1 319.405 1.341 50 0 DDAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](O)C1 ZINC000095987668 279282006 /nfs/dbraw/zinc/28/20/06/279282006.db2.gz AXNJQOUMGXUGDM-ZBFHGGJFSA-N 1 1 305.422 1.673 50 0 DDAAMO C[C@H](C(=O)N(C)C1CCS(=O)(=O)CC1)[NH+]1CCCCCC1 ZINC000096449136 289249042 /nfs/dbraw/zinc/24/90/42/289249042.db2.gz QAXPMICPCZFMIN-CYBMUJFWSA-N 1 1 316.467 1.287 50 0 DDAAMO C[NH+]1CCN([C@H](c2cccs2)c2nnnn2C(C)(C)C)CC1 ZINC000020052295 290055774 /nfs/dbraw/zinc/05/57/74/290055774.db2.gz VROJWTBQUGXOIZ-CYBMUJFWSA-N 1 1 320.466 1.826 50 0 DDAAMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cccc(F)c2F)cn1 ZINC000181390387 294282810 /nfs/dbraw/zinc/28/28/10/294282810.db2.gz JURFDPXCADNTGH-ZDUSSCGKSA-N 1 1 306.316 1.485 50 0 DDAAMO Cc1ccc(NCCCNC(=O)c2cn3cccnc3n2)[nH+]c1 ZINC000531011646 303225005 /nfs/dbraw/zinc/22/50/05/303225005.db2.gz UAAJJMGOMCRBMB-UHFFFAOYSA-N 1 1 310.361 1.087 50 0 DDAAMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000388510998 483975086 /nfs/dbraw/zinc/97/50/86/483975086.db2.gz HPKMOLCOBKCOPE-CYBMUJFWSA-N 1 1 309.385 1.973 50 0 DDAAMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000229080161 484165619 /nfs/dbraw/zinc/16/56/19/484165619.db2.gz QNLPHRFYKBZJGL-GOEBONIOSA-N 1 1 317.433 1.539 50 0 DDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cc(O)ccc2N)C1 ZINC000670464081 484847285 /nfs/dbraw/zinc/84/72/85/484847285.db2.gz FIWQCHKRQXTAFD-GFCCVEGCSA-N 1 1 307.394 1.063 50 0 DDAAMO Cc1ccsc1C[N@@H+]1CCN2C(=O)[C@@H]3CCCN3C(=O)[C@H]2C1 ZINC000014542762 696055403 /nfs/dbraw/zinc/05/54/03/696055403.db2.gz YTRUWZXFWPFKHX-QWHCGFSZSA-N 1 1 319.430 1.074 50 0 DDAAMO Cc1ccsc1C[N@H+]1CCN2C(=O)[C@@H]3CCCN3C(=O)[C@H]2C1 ZINC000014542762 696055404 /nfs/dbraw/zinc/05/54/04/696055404.db2.gz YTRUWZXFWPFKHX-QWHCGFSZSA-N 1 1 319.430 1.074 50 0 DDAAMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)C1CC=CC1)CC2 ZINC000169782075 697345504 /nfs/dbraw/zinc/34/55/04/697345504.db2.gz PGLIPKUAPILXSG-INIZCTEOSA-N 1 1 322.449 1.132 50 0 DDAAMO O[C@@H](C[N@H+]1CCCN(c2cccnn2)CC1)C1CCCCC1 ZINC000191333745 697604778 /nfs/dbraw/zinc/60/47/78/697604778.db2.gz MRPVOSQXVWHZTE-INIZCTEOSA-N 1 1 304.438 1.930 50 0 DDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)CC2CCCC2)C1 ZINC000824412377 759177941 /nfs/dbraw/zinc/17/79/41/759177941.db2.gz 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/nfs/dbraw/zinc/75/22/05/406752205.db2.gz IXXZJDJMZPIBPX-ZIAGYGMSSA-N 1 1 313.405 1.737 50 0 DDAAMO c1cnn(C[C@@H]2CCC[N@@H+]2Cc2nc(-c3cccnc3)no2)c1 ZINC000069769162 406767715 /nfs/dbraw/zinc/76/77/15/406767715.db2.gz SGURCVVQWBIZTM-AWEZNQCLSA-N 1 1 310.361 1.993 50 0 DDAAMO c1cnn(C[C@@H]2CCC[N@H+]2Cc2nc(-c3cccnc3)no2)c1 ZINC000069769162 406767721 /nfs/dbraw/zinc/76/77/21/406767721.db2.gz SGURCVVQWBIZTM-AWEZNQCLSA-N 1 1 310.361 1.993 50 0 DDAAMO C[C@@H]1C[N@H+](Cc2ccccn2)CCN1c1ccc2nncn2n1 ZINC000069459416 406717270 /nfs/dbraw/zinc/71/72/70/406717270.db2.gz PRMQURHNFDQKSX-CYBMUJFWSA-N 1 1 309.377 1.230 50 0 DDAAMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCN1c1ccc2nncn2n1 ZINC000069459416 406717275 /nfs/dbraw/zinc/71/72/75/406717275.db2.gz PRMQURHNFDQKSX-CYBMUJFWSA-N 1 1 309.377 1.230 50 0 DDAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000069484969 406720267 /nfs/dbraw/zinc/72/02/67/406720267.db2.gz ARKGLCBGVOGDEJ-ZDUSSCGKSA-N 1 1 303.410 1.025 50 0 DDAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 ZINC000069778284 406770983 /nfs/dbraw/zinc/77/09/83/406770983.db2.gz APTDEIPSSPGIGE-CQSZACIVSA-N 1 1 316.409 1.681 50 0 DDAAMO CCC(=O)N1CCC[N@H+](CC[S@](=O)c2ccccc2)CC1 ZINC000069846966 406781216 /nfs/dbraw/zinc/78/12/16/406781216.db2.gz MSYBNNKJXNBEFQ-OAQYLSRUSA-N 1 1 308.447 1.739 50 0 DDAAMO CCC(=O)N1CCC[N@@H+](CC[S@](=O)c2ccccc2)CC1 ZINC000069846966 406781228 /nfs/dbraw/zinc/78/12/28/406781228.db2.gz MSYBNNKJXNBEFQ-OAQYLSRUSA-N 1 1 308.447 1.739 50 0 DDAAMO Cc1ccn2ncc(C(=O)N3CCC[C@H]3[C@H]3CCC[N@@H+]3C)c2n1 ZINC000069849421 406782251 /nfs/dbraw/zinc/78/22/51/406782251.db2.gz RODPLVRCMBBRMI-CABCVRRESA-N 1 1 313.405 1.737 50 0 DDAAMO C[C@H](CN1CC[NH+](C)CC1)Nc1ncnc2cc(F)ccc21 ZINC000069811179 406776121 /nfs/dbraw/zinc/77/61/21/406776121.db2.gz RQSDJRKUUQNZBD-GFCCVEGCSA-N 1 1 303.385 1.817 50 0 DDAAMO COCC[N@@H+](CCCN1C(=O)CNC1=O)Cc1cccs1 ZINC000070005253 406800582 /nfs/dbraw/zinc/80/05/82/406800582.db2.gz KWKDUFNHYLHRPO-UHFFFAOYSA-N 1 1 311.407 1.138 50 0 DDAAMO C[N@H+]1CCC[C@@H](CSc2nnnn2-c2ccc(O)cc2)C1 ZINC000069978173 406798570 /nfs/dbraw/zinc/79/85/70/406798570.db2.gz UPLJCBVRIOHZPI-LLVKDONJSA-N 1 1 305.407 1.802 50 0 DDAAMO Cc1ccc2oc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2c1 ZINC000071819838 406846634 /nfs/dbraw/zinc/84/66/34/406846634.db2.gz RMFHWENWTCZETD-UHFFFAOYSA-N 1 1 315.373 1.421 50 0 DDAAMO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012549894 406847743 /nfs/dbraw/zinc/84/77/43/406847743.db2.gz GVNVYCIATKRBNB-HUUCEWRRSA-N 1 1 320.433 1.747 50 0 DDAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000071830764 406848744 /nfs/dbraw/zinc/84/87/44/406848744.db2.gz IEHYCYJZGQZPHY-HZSPNIEDSA-N 1 1 318.421 1.258 50 0 DDAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccon2)C1)c1cccnc1 ZINC000012704812 406851235 /nfs/dbraw/zinc/85/12/35/406851235.db2.gz KGZAXGGGAWMQEC-CYBMUJFWSA-N 1 1 300.362 1.712 50 0 DDAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccon2)C1)c1cccnc1 ZINC000012704812 406851238 /nfs/dbraw/zinc/85/12/38/406851238.db2.gz KGZAXGGGAWMQEC-CYBMUJFWSA-N 1 1 300.362 1.712 50 0 DDAAMO O=C(Cc1ccc2c(c1)CCO2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839887 406851297 /nfs/dbraw/zinc/85/12/97/406851297.db2.gz ASPJHTADVRPSTA-INIZCTEOSA-N 1 1 300.402 1.861 50 0 DDAAMO Cc1cc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)no1 ZINC000012872106 406854301 /nfs/dbraw/zinc/85/43/01/406854301.db2.gz YMCPKJZDOUUPLK-VXGBXAGGSA-N 1 1 310.398 1.992 50 0 DDAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000071871284 406857869 /nfs/dbraw/zinc/85/78/69/406857869.db2.gz LCWTZAMWGPEHGA-XQQFMLRXSA-N 1 1 322.371 1.880 50 0 DDAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CSc3ccccc3O2)CC1 ZINC000071871442 406858445 /nfs/dbraw/zinc/85/84/45/406858445.db2.gz MYQBPXLHAMRZKJ-GXTWGEPZSA-N 1 1 322.430 1.065 50 0 DDAAMO O[C@H](C[NH+]1CC(n2cccn2)C1)c1ccc2c(c1)OCCO2 ZINC000071877085 406859090 /nfs/dbraw/zinc/85/90/90/406859090.db2.gz LCYBWFIRDROXTE-CQSZACIVSA-N 1 1 301.346 1.245 50 0 DDAAMO C[C@@H](O)C[N@H+]1CCN(CCC(=O)NC2CCCCC2)C[C@H]1C ZINC000071879592 406859728 /nfs/dbraw/zinc/85/97/28/406859728.db2.gz VNEGAGCMQMUXFN-HUUCEWRRSA-N 1 1 311.470 1.212 50 0 DDAAMO C[C@@H](O)CN1CC[N@H+](CCC(=O)NC2CCCCC2)C[C@H]1C ZINC000071879592 406859731 /nfs/dbraw/zinc/85/97/31/406859731.db2.gz VNEGAGCMQMUXFN-HUUCEWRRSA-N 1 1 311.470 1.212 50 0 DDAAMO C[C@@H](O)CN1CC[N@@H+](CCC(=O)NC2CCCCC2)C[C@H]1C ZINC000071879592 406859734 /nfs/dbraw/zinc/85/97/34/406859734.db2.gz VNEGAGCMQMUXFN-HUUCEWRRSA-N 1 1 311.470 1.212 50 0 DDAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C)cc3cn[nH]c32)CC1 ZINC000071881049 406861655 /nfs/dbraw/zinc/86/16/55/406861655.db2.gz SQGSPMZEMQAEMG-AWEZNQCLSA-N 1 1 316.405 1.400 50 0 DDAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000071881049 406861658 /nfs/dbraw/zinc/86/16/58/406861658.db2.gz SQGSPMZEMQAEMG-AWEZNQCLSA-N 1 1 316.405 1.400 50 0 DDAAMO CCc1cnc(C[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)o1 ZINC000072300776 406880091 /nfs/dbraw/zinc/88/00/91/406880091.db2.gz IDVPCUJGBZBGSF-ZUZCIYMTSA-N 1 1 306.366 1.047 50 0 DDAAMO CCc1cnc(C[N@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)o1 ZINC000072300776 406880092 /nfs/dbraw/zinc/88/00/92/406880092.db2.gz IDVPCUJGBZBGSF-ZUZCIYMTSA-N 1 1 306.366 1.047 50 0 DDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000019148402 406885321 /nfs/dbraw/zinc/88/53/21/406885321.db2.gz ZAYOGLKTTDYNGI-UHFFFAOYSA-N 1 1 322.372 1.624 50 0 DDAAMO COc1ccc(CC(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000012444506 406844930 /nfs/dbraw/zinc/84/49/30/406844930.db2.gz ZDKWRLDREDFAQQ-UHFFFAOYSA-N 1 1 314.389 1.320 50 0 DDAAMO COCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036095188 406975808 /nfs/dbraw/zinc/97/58/08/406975808.db2.gz HPWSXYGWPHAQFP-MRXNPFEDSA-N 1 1 311.422 1.930 50 0 DDAAMO c1cnnc(N2CCC[C@@H]2C[NH2+]Cc2nnc(C3CC3)o2)c1 ZINC000075128966 406924228 /nfs/dbraw/zinc/92/42/28/406924228.db2.gz XVXXGISEMMBMGD-GFCCVEGCSA-N 1 1 300.366 1.496 50 0 DDAAMO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000029872012 406927822 /nfs/dbraw/zinc/92/78/22/406927822.db2.gz ZLYQZQRQIKTSEV-CYBMUJFWSA-N 1 1 317.389 1.047 50 0 DDAAMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000029872012 406927823 /nfs/dbraw/zinc/92/78/23/406927823.db2.gz ZLYQZQRQIKTSEV-CYBMUJFWSA-N 1 1 317.389 1.047 50 0 DDAAMO Cc1noc(C)c1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032441057 406948332 /nfs/dbraw/zinc/94/83/32/406948332.db2.gz LAQMACZONGDEOM-QWRGUYRKSA-N 1 1 315.439 1.833 50 0 DDAAMO CCO[C@H]1C[C@H]([N@@H+](C)CCCS(N)(=O)=O)C12CCCCC2 ZINC000076040607 406950918 /nfs/dbraw/zinc/95/09/18/406950918.db2.gz YYCIGCLTILESMT-KBPBESRZSA-N 1 1 318.483 1.725 50 0 DDAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(-c2ccccc2)n1 ZINC000044934400 407033834 /nfs/dbraw/zinc/03/38/34/407033834.db2.gz RXDRTEWWBIMNQQ-ZDUSSCGKSA-N 1 1 311.389 1.481 50 0 DDAAMO C[C@@H](CNC(=O)N(CCO)C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000044971292 407036503 /nfs/dbraw/zinc/03/65/03/407036503.db2.gz DEOGZTJQIHDSKO-LBPRGKRZSA-N 1 1 323.462 1.661 50 0 DDAAMO C[C@@H](CNC(=O)N(CCO)C1CC1)[N@H+]1CCc2sccc2C1 ZINC000044971292 407036505 /nfs/dbraw/zinc/03/65/05/407036505.db2.gz DEOGZTJQIHDSKO-LBPRGKRZSA-N 1 1 323.462 1.661 50 0 DDAAMO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000037470235 406989757 /nfs/dbraw/zinc/98/97/57/406989757.db2.gz YJPCVGLJTNTETA-JTQLQIEISA-N 1 1 322.199 1.865 50 0 DDAAMO CC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000046243635 407058884 /nfs/dbraw/zinc/05/88/84/407058884.db2.gz JCNYYLCOZHEAGG-LLVKDONJSA-N 1 1 309.435 1.089 50 0 DDAAMO CC(=O)N(C)CC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000046243635 407058887 /nfs/dbraw/zinc/05/88/87/407058887.db2.gz JCNYYLCOZHEAGG-LLVKDONJSA-N 1 1 309.435 1.089 50 0 DDAAMO CCc1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)o1 ZINC000089286778 407129735 /nfs/dbraw/zinc/12/97/35/407129735.db2.gz ULSJUPFSOMRFGF-UHFFFAOYSA-N 1 1 318.464 1.310 50 0 DDAAMO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC000089385624 407132328 /nfs/dbraw/zinc/13/23/28/407132328.db2.gz NHCQGDLXXGOMMK-CQSZACIVSA-N 1 1 312.797 1.338 50 0 DDAAMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC000089385624 407132330 /nfs/dbraw/zinc/13/23/30/407132330.db2.gz NHCQGDLXXGOMMK-CQSZACIVSA-N 1 1 312.797 1.338 50 0 DDAAMO CC(C)Cc1ccc([C@@H](O)CN2CC[NH+](CCO)CC2)cc1 ZINC000051091355 407136179 /nfs/dbraw/zinc/13/61/79/407136179.db2.gz XYXUMBQWJWPNHT-SFHVURJKSA-N 1 1 306.450 1.528 50 0 DDAAMO COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089894264 407156227 /nfs/dbraw/zinc/15/62/27/407156227.db2.gz SLQYQLQKMJCNDW-GJZGRUSLSA-N 1 1 320.433 1.746 50 0 DDAAMO COCC[N@H+]1CC[C@H](NC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000096413266 407261202 /nfs/dbraw/zinc/26/12/02/407261202.db2.gz NEVSDRWZBKHNTD-INIZCTEOSA-N 1 1 317.433 1.738 50 0 DDAAMO Cc1nnc(CCNC(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)[nH]1 ZINC000095358249 407209219 /nfs/dbraw/zinc/20/92/19/407209219.db2.gz MNYXOCVDMWWQCS-OAHLLOKOSA-N 1 1 301.394 1.383 50 0 DDAAMO CC[N@H+]1CCC[C@@H](c2cn(Cc3nnc4ccccn43)nn2)C1 ZINC000095367999 407210239 /nfs/dbraw/zinc/21/02/39/407210239.db2.gz TYCODFNLXNBLIS-CYBMUJFWSA-N 1 1 311.393 1.568 50 0 DDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccsc1)C2 ZINC000095386344 407212373 /nfs/dbraw/zinc/21/23/73/407212373.db2.gz CPWGLNDOQMOKRW-DGCLKSJQSA-N 1 1 300.449 1.604 50 0 DDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1ccsc1)C2 ZINC000095386344 407212375 /nfs/dbraw/zinc/21/23/75/407212375.db2.gz CPWGLNDOQMOKRW-DGCLKSJQSA-N 1 1 300.449 1.604 50 0 DDAAMO Cn1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1=O ZINC000095949434 407215754 /nfs/dbraw/zinc/21/57/54/407215754.db2.gz WJGRPNIUESAZSA-INIZCTEOSA-N 1 1 311.385 1.514 50 0 DDAAMO Cn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1=O ZINC000095949434 407215755 /nfs/dbraw/zinc/21/57/55/407215755.db2.gz WJGRPNIUESAZSA-INIZCTEOSA-N 1 1 311.385 1.514 50 0 DDAAMO Cc1noc(C)c1CNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000095955132 407217002 /nfs/dbraw/zinc/21/70/02/407217002.db2.gz 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C[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000161561233 408615717 /nfs/dbraw/zinc/61/57/17/408615717.db2.gz IZBVWFDCHOUPGB-SWHYSGLUSA-N 1 1 310.394 1.777 50 0 DDAAMO CCOCC[N@@H+]1CCN(C(=O)C(C)(C)CCOC)C[C@H]1C ZINC000184906455 408712779 /nfs/dbraw/zinc/71/27/79/408712779.db2.gz OBBGXBIIHSKXNG-CQSZACIVSA-N 1 1 300.443 1.618 50 0 DDAAMO CCOCC[N@H+]1CCN(C(=O)C(C)(C)CCOC)C[C@H]1C ZINC000184906455 408712785 /nfs/dbraw/zinc/71/27/85/408712785.db2.gz OBBGXBIIHSKXNG-CQSZACIVSA-N 1 1 300.443 1.618 50 0 DDAAMO CC(C)C[N@H+]1CC[C@@H](CN(C)C(=O)c2cccn3cnnc23)C1 ZINC000299774399 410617044 /nfs/dbraw/zinc/61/70/44/410617044.db2.gz HMSSHPOLXQUGPD-AWEZNQCLSA-N 1 1 315.421 1.779 50 0 DDAAMO CC(C)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](CCC(=O)[O-])C1 ZINC000299777401 410620182 /nfs/dbraw/zinc/62/01/82/410620182.db2.gz HASLTTGZGJBVDB-JKSUJKDBSA-N 1 1 311.470 1.445 50 0 DDAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000299778030 410621971 /nfs/dbraw/zinc/62/19/71/410621971.db2.gz MBQYGCNOHIREEI-LLVKDONJSA-N 1 1 322.796 1.289 50 0 DDAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000299778030 410621977 /nfs/dbraw/zinc/62/19/77/410621977.db2.gz MBQYGCNOHIREEI-LLVKDONJSA-N 1 1 322.796 1.289 50 0 DDAAMO COc1ccc2nc(CCN(C)C(=O)[C@@H]3C=CC[NH2+]3)[nH]c2c1 ZINC000299789156 410630021 /nfs/dbraw/zinc/63/00/21/410630021.db2.gz RYEXNZMDFUYELE-ZDUSSCGKSA-N 1 1 300.362 1.100 50 0 DDAAMO Cc1nn[nH]c1C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299794443 410635289 /nfs/dbraw/zinc/63/52/89/410635289.db2.gz KGWLPISMMHEZOV-OAHLLOKOSA-N 1 1 313.405 1.755 50 0 DDAAMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000330375935 410655287 /nfs/dbraw/zinc/65/52/87/410655287.db2.gz DCCIITHBSBVKPL-AAEUAGOBSA-N 1 1 310.360 1.784 50 0 DDAAMO Cc1cc(=O)n2nc(NC[C@H]3CC[N@H+](C4CC4)C3)sc2n1 ZINC000044933858 418433920 /nfs/dbraw/zinc/43/39/20/418433920.db2.gz FBZHAZLYPBTJKR-SNVBAGLBSA-N 1 1 305.407 1.356 50 0 DDAAMO O=C1CCCN1[C@@H]1CCC[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000108376087 418499418 /nfs/dbraw/zinc/49/94/18/418499418.db2.gz YBDMJDADSYGHAQ-KYJSFNMBSA-N 1 1 300.402 1.732 50 0 DDAAMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)on1 ZINC000108473946 418499497 /nfs/dbraw/zinc/49/94/97/418499497.db2.gz DEILFULFLYSVKT-IUODEOHRSA-N 1 1 319.336 1.998 50 0 DDAAMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)on1 ZINC000108473946 418499499 /nfs/dbraw/zinc/49/94/99/418499499.db2.gz DEILFULFLYSVKT-IUODEOHRSA-N 1 1 319.336 1.998 50 0 DDAAMO COc1ccc2cc(C[N@H+]3CCN(C)[C@@H](CO)C3)ccc2c1 ZINC000216163628 418559581 /nfs/dbraw/zinc/55/95/81/418559581.db2.gz YODWOBBIFVMLEQ-QGZVFWFLSA-N 1 1 300.402 1.957 50 0 DDAAMO COc1ccc2cc(CN3CC[N@H+](C)[C@@H](CO)C3)ccc2c1 ZINC000216163628 418559585 /nfs/dbraw/zinc/55/95/85/418559585.db2.gz YODWOBBIFVMLEQ-QGZVFWFLSA-N 1 1 300.402 1.957 50 0 DDAAMO COc1ccc2cc(CN3CC[N@@H+](C)[C@@H](CO)C3)ccc2c1 ZINC000216163628 418559586 /nfs/dbraw/zinc/55/95/86/418559586.db2.gz YODWOBBIFVMLEQ-QGZVFWFLSA-N 1 1 300.402 1.957 50 0 DDAAMO C[N@H+]1CCN2CCN(Cc3cnc(-c4ccccc4)nc3)C[C@H]2C1 ZINC000252587342 222246165 /nfs/dbraw/zinc/24/61/65/222246165.db2.gz XPDPXZRROHCLSR-GOSISDBHSA-N 1 1 323.444 1.575 50 0 DDAAMO Cc1cccc(CNC(=O)CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000408518938 418806743 /nfs/dbraw/zinc/80/67/43/418806743.db2.gz LINZDHDXQGOJQS-DLBZAZTESA-N 1 1 301.434 1.780 50 0 DDAAMO Cc1cccc(CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000408518938 418806744 /nfs/dbraw/zinc/80/67/44/418806744.db2.gz LINZDHDXQGOJQS-DLBZAZTESA-N 1 1 301.434 1.780 50 0 DDAAMO Cc1cccc(CNC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000408518938 418806746 /nfs/dbraw/zinc/80/67/46/418806746.db2.gz LINZDHDXQGOJQS-DLBZAZTESA-N 1 1 301.434 1.780 50 0 DDAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3ccn(CCO)n3)C2)CC1 ZINC000426414651 419464847 /nfs/dbraw/zinc/46/48/47/419464847.db2.gz NYLMRCJYHHFXJC-OAHLLOKOSA-N 1 1 320.437 1.066 50 0 DDAAMO CCc1csc(CCNC(=O)[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000426690225 419532322 /nfs/dbraw/zinc/53/23/22/419532322.db2.gz DNTCOVPRPHOFHU-LBPRGKRZSA-N 1 1 310.467 1.000 50 0 DDAAMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@](C)(c3ccccc3)C2)O1 ZINC000527549671 421405396 /nfs/dbraw/zinc/40/53/96/421405396.db2.gz ONSYGLZVTPOTEE-QGPMSJSTSA-N 1 1 318.417 1.480 50 0 DDAAMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@](C)(c3ccccc3)C2)O1 ZINC000527549671 421405399 /nfs/dbraw/zinc/40/53/99/421405399.db2.gz ONSYGLZVTPOTEE-QGPMSJSTSA-N 1 1 318.417 1.480 50 0 DDAAMO CC(C)(C)n1nnnc1C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000585116261 422306716 /nfs/dbraw/zinc/30/67/16/422306716.db2.gz OBIZIEULULFSPH-GXTWGEPZSA-N 1 1 323.441 1.228 50 0 DDAAMO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CCO[C@](C)(c3ccccc3)C2)O1 ZINC000585132121 422310783 /nfs/dbraw/zinc/31/07/83/422310783.db2.gz ONSYGLZVTPOTEE-HFTRVMKXSA-N 1 1 318.417 1.480 50 0 DDAAMO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCO[C@](C)(c3ccccc3)C2)O1 ZINC000585132121 422310790 /nfs/dbraw/zinc/31/07/90/422310790.db2.gz ONSYGLZVTPOTEE-HFTRVMKXSA-N 1 1 318.417 1.480 50 0 DDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000057793472 276186721 /nfs/dbraw/zinc/18/67/21/276186721.db2.gz SKQVKKZEYMIORS-NSHDSACASA-N 1 1 318.377 1.049 50 0 DDAAMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000215207784 277241058 /nfs/dbraw/zinc/24/10/58/277241058.db2.gz AMFPFNNDAREDEE-INIZCTEOSA-N 1 1 313.401 1.639 50 0 DDAAMO CC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000065403938 279032511 /nfs/dbraw/zinc/03/25/11/279032511.db2.gz XRBJCPFDRSZUCQ-LBPRGKRZSA-N 1 1 323.824 1.761 50 0 DDAAMO CCc1oc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000131211784 281408132 /nfs/dbraw/zinc/40/81/32/281408132.db2.gz LNZPQGFUAZGPLM-CQSZACIVSA-N 1 1 306.406 1.945 50 0 DDAAMO C[C@H](O)C[N@H+]1CCN(CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000106869444 290112541 /nfs/dbraw/zinc/11/25/41/290112541.db2.gz VNEGAGCMQMUXFN-GJZGRUSLSA-N 1 1 311.470 1.212 50 0 DDAAMO C[C@H](O)CN1CC[N@H+](CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000106869444 290112543 /nfs/dbraw/zinc/11/25/43/290112543.db2.gz VNEGAGCMQMUXFN-GJZGRUSLSA-N 1 1 311.470 1.212 50 0 DDAAMO C[C@H](O)CN1CC[N@@H+](CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000106869444 290112546 /nfs/dbraw/zinc/11/25/46/290112546.db2.gz VNEGAGCMQMUXFN-GJZGRUSLSA-N 1 1 311.470 1.212 50 0 DDAAMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)O)CC[N@H+]2C2CC2)c1 ZINC000097047605 295321607 /nfs/dbraw/zinc/32/16/07/295321607.db2.gz MPKMOVVNANYCPP-IUIKQTSFSA-N 1 1 304.390 1.470 50 0 DDAAMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000054371439 297104400 /nfs/dbraw/zinc/10/44/00/297104400.db2.gz QOAQPJMPQRTJDN-SECBINFHSA-N 1 1 324.324 1.568 50 0 DDAAMO Cc1ccccc1[C@@H](C)[N@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000253398395 302118770 /nfs/dbraw/zinc/11/87/70/302118770.db2.gz MDKVFPAZBQYMDI-HUUCEWRRSA-N 1 1 305.422 1.174 50 0 DDAAMO O=C(Cc1ccncc1)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000534644236 334306396 /nfs/dbraw/zinc/30/63/96/334306396.db2.gz GQNSDCYBKSBFLK-UHFFFAOYSA-N 1 1 303.406 1.385 50 0 DDAAMO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000097374919 337382658 /nfs/dbraw/zinc/38/26/58/337382658.db2.gz FUHDJLYRFKNJKU-HUUCEWRRSA-N 1 1 319.449 1.418 50 0 DDAAMO C[C@H](C(=O)N1CCOC[C@H]1c1cccn1C)[NH+]1CCSCC1 ZINC000097379379 337382853 /nfs/dbraw/zinc/38/28/53/337382853.db2.gz KREOUJCJJIPVEJ-HIFRSBDPSA-N 1 1 323.462 1.362 50 0 DDAAMO C[N@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)CC1CC1 ZINC000077194408 483962740 /nfs/dbraw/zinc/96/27/40/483962740.db2.gz XTJZYJHKRJVOEY-UHFFFAOYSA-N 1 1 324.446 1.549 50 0 DDAAMO Cc1ccc(CN(C(=O)C[N@H+]2CCC[C@H](CO)C2)C2CC2)o1 ZINC000084195407 483991262 /nfs/dbraw/zinc/99/12/62/483991262.db2.gz GDNJRWHDCUVAJG-AWEZNQCLSA-N 1 1 306.406 1.783 50 0 DDAAMO COCC[N@H+]1C[C@H](NC(=O)c2csc(C)n2)[C@@H](C2CC2)C1 ZINC000091451928 484011841 /nfs/dbraw/zinc/01/18/41/484011841.db2.gz RIHQJFSXEWQLGV-OLZOCXBDSA-N 1 1 309.435 1.538 50 0 DDAAMO CCc1[nH+]ccn1CC(=O)NCc1cn2nc(C)sc2n1 ZINC000223553169 484154234 /nfs/dbraw/zinc/15/42/34/484154234.db2.gz SQWPMXWDSRIHIQ-UHFFFAOYSA-N 1 1 304.379 1.175 50 0 DDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCc1ccccc1 ZINC000012455002 696049893 /nfs/dbraw/zinc/04/98/93/696049893.db2.gz AUZNDZDBUKPFOP-INIZCTEOSA-N 1 1 317.433 1.334 50 0 DDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCc1ccccc1 ZINC000012455002 696049896 /nfs/dbraw/zinc/04/98/96/696049896.db2.gz AUZNDZDBUKPFOP-INIZCTEOSA-N 1 1 317.433 1.334 50 0 DDAAMO C[NH+]1CCN(C(=O)CC[C@H]2CCCN(Cc3ncc[nH]3)C2)CC1 ZINC000015064830 696056954 /nfs/dbraw/zinc/05/69/54/696056954.db2.gz BQZMFDQEESIPCS-OAHLLOKOSA-N 1 1 319.453 1.176 50 0 DDAAMO CC(C)(C)OC(=O)NC1CC(C[N@H+]2CCCN(C=O)CC2)C1 ZINC000722648008 699319682 /nfs/dbraw/zinc/31/96/82/699319682.db2.gz HOQPBZTWBXNFKW-UHFFFAOYSA-N 1 1 311.426 1.454 50 0 DDAAMO C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000812331820 702155845 /nfs/dbraw/zinc/15/58/45/702155845.db2.gz HYRSIKNLUOPCSM-MELADBBJSA-N 1 1 323.437 1.406 50 0 DDAAMO 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C[NH+]1CCN(c2ncc(NC(=O)Cc3ccccc3)cn2)CC1 ZINC000085470458 407102574 /nfs/dbraw/zinc/10/25/74/407102574.db2.gz WWQZBCMGFKOENG-UHFFFAOYSA-N 1 1 311.389 1.410 50 0 DDAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(=O)[nH]c1 ZINC000046239313 407058656 /nfs/dbraw/zinc/05/86/56/407058656.db2.gz IJHPOCZYKXTQQQ-UHFFFAOYSA-N 1 1 311.385 1.553 50 0 DDAAMO CCc1cccc(NC(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000089289533 407129216 /nfs/dbraw/zinc/12/92/16/407129216.db2.gz GGXLTXGCATZNRK-KRWDZBQOSA-N 1 1 317.433 1.594 50 0 DDAAMO COC(=O)[C@H](C)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000089598269 407140842 /nfs/dbraw/zinc/14/08/42/407140842.db2.gz QKTORDVSCHQALY-ZDUSSCGKSA-N 1 1 304.390 1.301 50 0 DDAAMO Cn1cc(C[N@@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000089755742 407146933 /nfs/dbraw/zinc/14/69/33/407146933.db2.gz JIIPSNZDNPAMLG-QZTJIDSGSA-N 1 1 312.417 1.505 50 0 DDAAMO Cn1cc(C[N@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000089755742 407146935 /nfs/dbraw/zinc/14/69/35/407146935.db2.gz 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/nfs/dbraw/zinc/20/98/52/407209852.db2.gz HFRKLLBGFTZZNO-HUUCEWRRSA-N 1 1 302.422 1.757 50 0 DDAAMO CC(C)[C@@H](C(=O)NCc1ccccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058412114 407220900 /nfs/dbraw/zinc/22/09/00/407220900.db2.gz HJCFZINQQXRZOA-LZWOXQAQSA-N 1 1 305.422 1.832 50 0 DDAAMO CC(C)[C@@H](C(=O)NCc1ccccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058412114 407220901 /nfs/dbraw/zinc/22/09/01/407220901.db2.gz HJCFZINQQXRZOA-LZWOXQAQSA-N 1 1 305.422 1.832 50 0 DDAAMO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000096415507 407262440 /nfs/dbraw/zinc/26/24/40/407262440.db2.gz ZUVXXMMRGKMCNZ-JKSUJKDBSA-N 1 1 319.453 1.420 50 0 DDAAMO NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899415 407262501 /nfs/dbraw/zinc/26/25/01/407262501.db2.gz OHRJCDLUGZCHCL-GFCCVEGCSA-N 1 1 319.361 1.180 50 0 DDAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCc2[nH]cnc2C1 ZINC000096138594 407239523 /nfs/dbraw/zinc/23/95/23/407239523.db2.gz RFBNZFGIHGJDSI-KRWDZBQOSA-N 1 1 310.401 1.959 50 0 DDAAMO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCc2nc[nH]c2C1 ZINC000096138594 407239524 /nfs/dbraw/zinc/23/95/24/407239524.db2.gz RFBNZFGIHGJDSI-KRWDZBQOSA-N 1 1 310.401 1.959 50 0 DDAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCc2nc[nH]c2C1 ZINC000096138594 407239526 /nfs/dbraw/zinc/23/95/26/407239526.db2.gz RFBNZFGIHGJDSI-KRWDZBQOSA-N 1 1 310.401 1.959 50 0 DDAAMO CN(CC1(CO)CCCC1)c1nc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC000065381525 407243254 /nfs/dbraw/zinc/24/32/54/407243254.db2.gz LXWSOTFRPRRHTA-AWEZNQCLSA-N 1 1 320.437 1.427 50 0 DDAAMO CC[C@H](Oc1ccccc1F)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000096449561 407268663 /nfs/dbraw/zinc/26/86/63/407268663.db2.gz AOOYNOOEPMDWOA-ZFWWWQNUSA-N 1 1 323.412 1.345 50 0 DDAAMO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccn3cncc3c2)C1 ZINC000097034310 407276342 /nfs/dbraw/zinc/27/63/42/407276342.db2.gz XZLIDBZYNQNWJA-MRXNPFEDSA-N 1 1 317.389 1.848 50 0 DDAAMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2ccn3cncc3c2)C1 ZINC000097034310 407276343 /nfs/dbraw/zinc/27/63/43/407276343.db2.gz 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407299094 /nfs/dbraw/zinc/29/90/94/407299094.db2.gz GGALPCRKWLZHDI-CQSZACIVSA-N 1 1 318.421 1.208 50 0 DDAAMO CNc1ncccc1C(=O)N1CC[N@@H+](CC=C(C)C)C[C@@H](O)C1 ZINC000097499526 407299095 /nfs/dbraw/zinc/29/90/95/407299095.db2.gz GGALPCRKWLZHDI-CQSZACIVSA-N 1 1 318.421 1.208 50 0 DDAAMO COc1ccc([C@@H]2C[C@@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000106780943 407360889 /nfs/dbraw/zinc/36/08/89/407360889.db2.gz AZHGJWYNGQWWGP-JQFCIGGWSA-N 1 1 318.417 1.324 50 0 DDAAMO CC[C@@H]1CN(CC(=O)N(C)Cc2ccco2)CC[N@H+]1C[C@H](C)O ZINC000106929737 407367794 /nfs/dbraw/zinc/36/77/94/407367794.db2.gz XSJRTVIUOIIZDN-LSDHHAIUSA-N 1 1 323.437 1.015 50 0 DDAAMO CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1CO ZINC000257189142 407486967 /nfs/dbraw/zinc/48/69/67/407486967.db2.gz NLCCLNCPRBXGGU-NWDGAFQWSA-N 1 1 314.788 1.608 50 0 DDAAMO CC(C)OC[C@H](O)CSCC[N@@H+](C)C[C@H](O)COC(C)C ZINC000253431797 407449538 /nfs/dbraw/zinc/44/95/38/407449538.db2.gz XNPYNMBRABZBKU-GJZGRUSLSA-N 1 1 323.499 1.223 50 0 DDAAMO 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COCC[NH+]1CCN(CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000069652537 406750290 /nfs/dbraw/zinc/75/02/90/406750290.db2.gz CWOLBTXOKTUNNQ-MRXNPFEDSA-N 1 1 319.449 1.470 50 0 DDAAMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)N2CCCC2)C[C@H]1CC ZINC000069701349 406758448 /nfs/dbraw/zinc/75/84/48/406758448.db2.gz OMUHSNSZBQXLFE-JKSUJKDBSA-N 1 1 311.470 1.430 50 0 DDAAMO COCC[N@H+]1CCN(Cc2nccn2CC(F)(F)F)C[C@H]1C ZINC000069706956 406761325 /nfs/dbraw/zinc/76/13/25/406761325.db2.gz MDRKLKVFHKZGPF-GFCCVEGCSA-N 1 1 320.359 1.598 50 0 DDAAMO O=C(C[NH+]1CCCC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007786111 406766609 /nfs/dbraw/zinc/76/66/09/406766609.db2.gz ICRZGFWJMAARTB-UHFFFAOYSA-N 1 1 305.769 1.955 50 0 DDAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(C)n(C)c1=O ZINC000069521169 406728521 /nfs/dbraw/zinc/72/85/21/406728521.db2.gz BRQFRJWFNDQHMU-HOTGVXAUSA-N 1 1 317.433 1.783 50 0 DDAAMO CC[C@H]1CN(Cc2nnsc2Cl)CC[N@H+]1CCOC ZINC000069842238 406777990 /nfs/dbraw/zinc/77/79/90/406777990.db2.gz JDFULWOLQXHFMG-JTQLQIEISA-N 1 1 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ZINC000058407407 184114372 /nfs/dbraw/zinc/11/43/72/184114372.db2.gz MVKFSKMLBBTQSD-UHFFFAOYSA-N 1 1 316.405 1.777 50 0 DDAAMO C[N@H+]1CCN2CCN(C(=O)NC(C)(C)CC(C)(C)C)C[C@H]2C1 ZINC000065384632 184333089 /nfs/dbraw/zinc/33/30/89/184333089.db2.gz URBIXIHKJSYMRC-CQSZACIVSA-N 1 1 310.486 1.842 50 0 DDAAMO CC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000065414402 184340802 /nfs/dbraw/zinc/34/08/02/184340802.db2.gz GXPQTVGKAKHCRB-INIZCTEOSA-N 1 1 317.433 1.146 50 0 DDAAMO Cc1cc(N2CCC[C@H]2C(=O)NCC(F)(F)F)nc(C)[nH+]1 ZINC000065419269 184341322 /nfs/dbraw/zinc/34/13/22/184341322.db2.gz UYRWMCJZQAUVRH-JTQLQIEISA-N 1 1 302.300 1.741 50 0 DDAAMO CCCNC(=O)[C@H](C)NC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000065550251 184364620 /nfs/dbraw/zinc/36/46/20/184364620.db2.gz NNDAFLZSGNWILK-UGSOOPFHSA-N 1 1 317.433 1.421 50 0 DDAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000066126856 184391114 /nfs/dbraw/zinc/39/11/14/184391114.db2.gz NDNUJHKREGNLEH-NWDGAFQWSA-N 1 1 311.451 1.713 50 0 DDAAMO Cc1nc2ccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cc2o1 ZINC000155513329 197061771 /nfs/dbraw/zinc/06/17/71/197061771.db2.gz MVSVCRRUZRVOHU-UHFFFAOYSA-N 1 1 316.361 1.239 50 0 DDAAMO Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2)cn1 ZINC000071797252 184845304 /nfs/dbraw/zinc/84/53/04/184845304.db2.gz BLBGYMHPSFCDNV-DOTOQJQBSA-N 1 1 301.390 1.997 50 0 DDAAMO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(=O)[nH]1 ZINC000075118428 292055717 /nfs/dbraw/zinc/05/57/17/292055717.db2.gz ILSSTSDWZQHJDW-MRXNPFEDSA-N 1 1 311.385 1.812 50 0 DDAAMO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(=O)[nH]1 ZINC000075118428 292055719 /nfs/dbraw/zinc/05/57/19/292055719.db2.gz ILSSTSDWZQHJDW-MRXNPFEDSA-N 1 1 311.385 1.812 50 0 DDAAMO CCOCC[N@@H+](C)C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000408523751 286075798 /nfs/dbraw/zinc/07/57/98/286075798.db2.gz VBHFPKDYXIRXFD-OAHLLOKOSA-N 1 1 304.431 1.573 50 0 DDAAMO Cc1[nH+]ccn1CCC(=O)N[C@H]1CCOC[C@H]1C1CCOCC1 ZINC000223448940 407570177 /nfs/dbraw/zinc/57/01/77/407570177.db2.gz 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/nfs/dbraw/zinc/74/00/55/406740055.db2.gz BBKXMPNKCIHZBV-LBPRGKRZSA-N 1 1 316.384 1.648 50 0 DDAAMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007901675 406771837 /nfs/dbraw/zinc/77/18/37/406771837.db2.gz IKHFKHRZFUBCOJ-SECBINFHSA-N 1 1 315.320 1.564 50 0 DDAAMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007901675 406771841 /nfs/dbraw/zinc/77/18/41/406771841.db2.gz IKHFKHRZFUBCOJ-SECBINFHSA-N 1 1 315.320 1.564 50 0 DDAAMO CCCc1nc(C[NH2+]C[C@@H]2CCc3nnc(CC)n3C2)no1 ZINC000069652320 406747812 /nfs/dbraw/zinc/74/78/12/406747812.db2.gz PUWQSXNVCBAOGE-NSHDSACASA-N 1 1 304.398 1.528 50 0 DDAAMO Cc1ncsc1CC[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000069698466 406757881 /nfs/dbraw/zinc/75/78/81/406757881.db2.gz WGNGGOGBQFNMQM-CYBMUJFWSA-N 1 1 322.478 1.279 50 0 DDAAMO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC000069771694 406769094 /nfs/dbraw/zinc/76/90/94/406769094.db2.gz HGCUGXDLHBKWSH-HNNXBMFYSA-N 1 1 320.458 1.619 50 0 DDAAMO COCCOc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000069419386 406709082 /nfs/dbraw/zinc/70/90/82/406709082.db2.gz QOSWYDNPOFMSGJ-LBPRGKRZSA-N 1 1 308.382 1.180 50 0 DDAAMO CCC(=O)N1CCC[N@H+](CC[S@@](=O)c2ccccc2)CC1 ZINC000069846962 406781016 /nfs/dbraw/zinc/78/10/16/406781016.db2.gz MSYBNNKJXNBEFQ-NRFANRHFSA-N 1 1 308.447 1.739 50 0 DDAAMO CCC(=O)N1CCC[N@@H+](CC[S@@](=O)c2ccccc2)CC1 ZINC000069846962 406781022 /nfs/dbraw/zinc/78/10/22/406781022.db2.gz MSYBNNKJXNBEFQ-NRFANRHFSA-N 1 1 308.447 1.739 50 0 DDAAMO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1nc(-c3ccco3)no1)CC2 ZINC000069872234 406783539 /nfs/dbraw/zinc/78/35/39/406783539.db2.gz STRBYVFXEDTXST-JTQLQIEISA-N 1 1 314.349 1.588 50 0 DDAAMO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncnc2cc(F)ccc21 ZINC000069811178 406776238 /nfs/dbraw/zinc/77/62/38/406776238.db2.gz RQSDJRKUUQNZBD-LBPRGKRZSA-N 1 1 303.385 1.817 50 0 DDAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCNc1ncccn1 ZINC000069872362 406784804 /nfs/dbraw/zinc/78/48/04/406784804.db2.gz QRNDCNRWGHUMOA-KBPBESRZSA-N 1 1 303.410 1.364 50 0 DDAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC000069927235 406793467 /nfs/dbraw/zinc/79/34/67/406793467.db2.gz PNVFELLEYGOPPQ-JKSUJKDBSA-N 1 1 307.438 1.474 50 0 DDAAMO COC(=O)NCCCC(=O)OC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000069949029 406793770 /nfs/dbraw/zinc/79/37/70/406793770.db2.gz CZOBNYFYVOLKNU-ZDUSSCGKSA-N 1 1 316.398 1.023 50 0 DDAAMO Fc1ccc(OCCC[N@@H+]2CCO[C@@H](Cn3cncn3)C2)cc1 ZINC000070020995 406803994 /nfs/dbraw/zinc/80/39/94/406803994.db2.gz RVMRNPVKTCWSJI-MRXNPFEDSA-N 1 1 320.368 1.587 50 0 DDAAMO Fc1ccc(OCCC[N@H+]2CCO[C@@H](Cn3cncn3)C2)cc1 ZINC000070020995 406803997 /nfs/dbraw/zinc/80/39/97/406803997.db2.gz RVMRNPVKTCWSJI-MRXNPFEDSA-N 1 1 320.368 1.587 50 0 DDAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1F ZINC000009483975 406810086 /nfs/dbraw/zinc/81/00/86/406810086.db2.gz WNMDWAYEDDPLPG-IHRRRGAJSA-N 1 1 305.353 1.554 50 0 DDAAMO CC[N@@H+](C)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011816703 406831144 /nfs/dbraw/zinc/83/11/44/406831144.db2.gz JDUPHHOTUSGKMA-MRXNPFEDSA-N 1 1 312.360 1.770 50 0 DDAAMO NC(=O)[C@H]1CN(c2cc(C(F)(F)F)nc3ccccc32)CC[NH2+]1 ZINC000012741452 406851472 /nfs/dbraw/zinc/85/14/72/406851472.db2.gz NMGXUJCKKUDQPL-LLVKDONJSA-N 1 1 324.306 1.517 50 0 DDAAMO CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000071870626 406856212 /nfs/dbraw/zinc/85/62/12/406856212.db2.gz MVMJETVUTADWGI-KBPBESRZSA-N 1 1 322.434 1.276 50 0 DDAAMO C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2OCCc3ccsc32)CC1 ZINC000071871517 406857895 /nfs/dbraw/zinc/85/78/95/406857895.db2.gz YVSUYGLSSDLFFK-TZMCWYRMSA-N 1 1 324.446 1.277 50 0 DDAAMO CCn1nc(C)c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1C ZINC000072269445 406877424 /nfs/dbraw/zinc/87/74/24/406877424.db2.gz ABOJEAYMJLWFNC-GJZGRUSLSA-N 1 1 320.437 1.191 50 0 DDAAMO CCc1cnc(C[N@@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)o1 ZINC000072300777 406881006 /nfs/dbraw/zinc/88/10/06/406881006.db2.gz IDVPCUJGBZBGSF-MEBBXXQBSA-N 1 1 306.366 1.047 50 0 DDAAMO 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1.016 50 0 DDAAMO C[NH+](C)C[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000085469721 407102931 /nfs/dbraw/zinc/10/29/31/407102931.db2.gz ZOGZCVJUPGWDGQ-CQSZACIVSA-N 1 1 314.389 1.479 50 0 DDAAMO O=c1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)nc2sccn21 ZINC000052753204 407156166 /nfs/dbraw/zinc/15/61/66/407156166.db2.gz LOGIOXNXDAZRCF-NSHDSACASA-N 1 1 305.403 1.757 50 0 DDAAMO C[C@H](Cn1cccn1)NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000089904382 407157068 /nfs/dbraw/zinc/15/70/68/407157068.db2.gz WBZFJWXXWJKPSZ-OLZOCXBDSA-N 1 1 305.382 1.467 50 0 DDAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000089938301 407161488 /nfs/dbraw/zinc/16/14/88/407161488.db2.gz VMDQJMRRDGZDRR-NSHDSACASA-N 1 1 323.828 1.506 50 0 DDAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000089938301 407161489 /nfs/dbraw/zinc/16/14/89/407161489.db2.gz VMDQJMRRDGZDRR-NSHDSACASA-N 1 1 323.828 1.506 50 0 DDAAMO C[N@H+](CC(=O)N1CC(C)(C)[C@@](C)(O)C1)Cc1ccc(F)cc1 ZINC000091664168 407183371 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COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c(Cl)c1OC ZINC000111237627 418500120 /nfs/dbraw/zinc/50/01/20/418500120.db2.gz IGHNWAHAWSNFCU-SNVBAGLBSA-N 1 1 319.810 1.634 50 0 DDAAMO CCCC[C@H](C(N)=O)[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC ZINC000257365324 418567574 /nfs/dbraw/zinc/56/75/74/418567574.db2.gz KTKHFZPDERVQDQ-RRFJBIMHSA-N 1 1 309.454 1.896 50 0 DDAAMO Cc1nc(CN2CC[N@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)no1 ZINC000241815979 222211588 /nfs/dbraw/zinc/21/15/88/222211588.db2.gz SEPWOOCHYPZFTG-CZUORRHYSA-N 1 1 316.405 1.618 50 0 DDAAMO Cc1nc(CN2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)no1 ZINC000241815979 222211589 /nfs/dbraw/zinc/21/15/89/222211589.db2.gz SEPWOOCHYPZFTG-CZUORRHYSA-N 1 1 316.405 1.618 50 0 DDAAMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NC(C)(C)C)C[C@H]1CC ZINC000247073159 222226786 /nfs/dbraw/zinc/22/67/86/222226786.db2.gz GQNKEYRLHGXHOX-HUUCEWRRSA-N 1 1 313.486 1.722 50 0 DDAAMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cnn(CC)c1 ZINC000257366105 222250502 /nfs/dbraw/zinc/25/05/02/222250502.db2.gz JETVWDGJDWAEPY-STQMWFEESA-N 1 1 312.439 1.150 50 0 DDAAMO Nc1nc(NCc2ccc3c(c2)CCO3)cc([C@H]2CCOC2)[nH+]1 ZINC000426489752 419485521 /nfs/dbraw/zinc/48/55/21/419485521.db2.gz PVXUITWISWOJMG-ZDUSSCGKSA-N 1 1 312.373 1.532 50 0 DDAAMO CCn1ccnc1CN(C)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426503444 419489197 /nfs/dbraw/zinc/48/91/97/419489197.db2.gz SEKUKRQZQRURQH-LLVKDONJSA-N 1 1 302.382 1.416 50 0 DDAAMO CO[C@]12CC[N@@H+](Cc3cccc(O)c3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426533758 419501933 /nfs/dbraw/zinc/50/19/33/419501933.db2.gz HMODETLSLYMIKN-OKZBNKHCSA-N 1 1 321.417 1.913 50 0 DDAAMO CN(C)c1ncc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000449669987 421055049 /nfs/dbraw/zinc/05/50/49/421055049.db2.gz INAJBLFDKAQFNI-WPRPVWTQSA-N 1 1 309.357 1.954 50 0 DDAAMO COc1c(C)cnc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1C ZINC000229556194 274088283 /nfs/dbraw/zinc/08/82/83/274088283.db2.gz LOEVFVFXYZTHIF-UONOGXRCSA-N 1 1 307.438 1.594 50 0 DDAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000229448679 278293938 /nfs/dbraw/zinc/29/39/38/278293938.db2.gz LCWTZAMWGPEHGA-RWMBFGLXSA-N 1 1 322.371 1.880 50 0 DDAAMO CCOc1ccc(CC(=O)N2CC[NH+](C[C@@H](O)CC)CC2)cc1 ZINC000070004685 279954507 /nfs/dbraw/zinc/95/45/07/279954507.db2.gz TWWGYOQLZPSQOL-INIZCTEOSA-N 1 1 320.433 1.543 50 0 DDAAMO Cc1[nH][nH]c(=O)c1CC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000426398168 280192062 /nfs/dbraw/zinc/19/20/62/280192062.db2.gz UADJOTMGULOJPE-CQSZACIVSA-N 1 1 314.389 1.139 50 0 DDAAMO Fc1ccccc1Cc1noc(C[NH2+]CCN2CCOCC2)n1 ZINC000071758961 331922720 /nfs/dbraw/zinc/92/27/20/331922720.db2.gz CZNXPQQAWSDDSB-UHFFFAOYSA-N 1 1 320.368 1.221 50 0 DDAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1conc1-c1ccccc1 ZINC000534635549 334309034 /nfs/dbraw/zinc/30/90/34/334309034.db2.gz ZHEWAYHLBACDAU-KBPBESRZSA-N 1 1 301.346 1.400 50 0 DDAAMO Cn1ncc2c1ncnc2N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000585092026 483920462 /nfs/dbraw/zinc/92/04/62/483920462.db2.gz BHLVPRJPFQLEQO-STQMWFEESA-N 1 1 316.409 1.275 50 0 DDAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@]2(O)CCCOC2)C1 ZINC000585094199 483922183 /nfs/dbraw/zinc/92/21/83/483922183.db2.gz OKEQJOIYHSNZEX-ZMSDIMECSA-N 1 1 312.454 1.545 50 0 DDAAMO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000083888870 483986955 /nfs/dbraw/zinc/98/69/55/483986955.db2.gz GTXKTHPHWVHCEJ-AWEZNQCLSA-N 1 1 321.465 1.768 50 0 DDAAMO CNC(=O)C[C@@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000670444330 484833092 /nfs/dbraw/zinc/83/30/92/484833092.db2.gz MPAHTFNIWXZGNX-AWEZNQCLSA-N 1 1 306.406 1.922 50 0 DDAAMO COc1ccc(CNC(=O)CC[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000670462645 484845927 /nfs/dbraw/zinc/84/59/27/484845927.db2.gz YZCQMXSDNRMSEO-OAHLLOKOSA-N 1 1 306.406 1.548 50 0 DDAAMO CCc1cnc(NCc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000195562439 490693623 /nfs/dbraw/zinc/69/36/23/490693623.db2.gz MPPUSRVJLNEWIE-UHFFFAOYSA-N 1 1 318.450 1.859 50 0 DDAAMO CCn1nc(C(=O)N2CCCC2)c2c1CC[N@@H+](CC1CC1)C2 ZINC000014731409 696055820 /nfs/dbraw/zinc/05/58/20/696055820.db2.gz ASRRMEYPPOPVBL-UHFFFAOYSA-N 1 1 302.422 1.907 50 0 DDAAMO COc1cccc(CN2CC[N@H+](C[C@@H]3CCOC3)CC2=O)c1 ZINC000065530341 696345564 /nfs/dbraw/zinc/34/55/64/696345564.db2.gz KWPOBPKPFYNAMJ-HNNXBMFYSA-N 1 1 304.390 1.376 50 0 DDAAMO COc1cccc(CN2CC[N@@H+](C[C@@H]3CCOC3)CC2=O)c1 ZINC000065530341 696345565 /nfs/dbraw/zinc/34/55/65/696345565.db2.gz KWPOBPKPFYNAMJ-HNNXBMFYSA-N 1 1 304.390 1.376 50 0 DDAAMO CC(C)[C@H](NC(=O)C1CCCCC1)C1=CCC[N@H+](CC(N)=O)C1 ZINC000067742288 696363955 /nfs/dbraw/zinc/36/39/55/696363955.db2.gz GPNGHIUEJFJWFF-KRWDZBQOSA-N 1 1 321.465 1.825 50 0 DDAAMO CC(C)[C@H](NC(=O)C1CCCCC1)C1=CCC[N@@H+](CC(N)=O)C1 ZINC000067742288 696363956 /nfs/dbraw/zinc/36/39/56/696363956.db2.gz GPNGHIUEJFJWFF-KRWDZBQOSA-N 1 1 321.465 1.825 50 0 DDAAMO C[N@H+]1CCc2nc(N3CCc4ccccc4C3)[nH]c(=O)c2CC1 ZINC000169752194 697344083 /nfs/dbraw/zinc/34/40/83/697344083.db2.gz UIWDSVJWRJMRIZ-UHFFFAOYSA-N 1 1 310.401 1.363 50 0 DDAAMO O=C(CC1CCCC1)N1CCC2(C[C@@H]3C(=O)NCC[N@@H+]3C2)CC1 ZINC000169791921 697346603 /nfs/dbraw/zinc/34/66/03/697346603.db2.gz CODBOJZBIXNKDO-OAHLLOKOSA-N 1 1 319.449 1.380 50 0 DDAAMO CC(C)N1CCC[C@H]([NH+]2CCN(c3cccc(O)c3)CC2)C1=O ZINC000179299092 697436127 /nfs/dbraw/zinc/43/61/27/697436127.db2.gz COYGPRPICRYSKC-KRWDZBQOSA-N 1 1 317.433 1.914 50 0 DDAAMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[C@H](OC(=O)N(C)C)C3)C[N@H+]2C1 ZINC000952995188 721534658 /nfs/dbraw/zinc/53/46/58/721534658.db2.gz CWJFXTWSWYPDBO-KBXIAJHMSA-N 1 1 323.437 1.406 50 0 DDAAMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000675009197 737514898 /nfs/dbraw/zinc/51/48/98/737514898.db2.gz AXKPPMUAJUWTDW-DLBZAZTESA-N 1 1 311.385 1.770 50 0 DDAAMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000675009197 737514901 /nfs/dbraw/zinc/51/49/01/737514901.db2.gz AXKPPMUAJUWTDW-DLBZAZTESA-N 1 1 311.385 1.770 50 0 DDAAMO CCn1nnc2cc(C(=O)N3CC[NH2+]C[C@H]3C(F)F)ccc21 ZINC000585088546 739371015 /nfs/dbraw/zinc/37/10/15/739371015.db2.gz LTGJQWGEIFOGGT-LBPRGKRZSA-N 1 1 309.320 1.130 50 0 DDAAMO C1CCC([NH+]2CCC(N[C@H]3COC[C@@H]3N3CCCC3)CC2)C1 ZINC000820414151 758100631 /nfs/dbraw/zinc/10/06/31/758100631.db2.gz JYGDERUESJPBDG-ROUUACIJSA-N 1 1 307.482 1.846 50 0 DDAAMO CCN(CC)S(=O)(=O)NCCc1nc2cccc(C)c2[nH]1 ZINC000823086687 758271496 /nfs/dbraw/zinc/27/14/96/758271496.db2.gz UFFRSZGZIPAKDD-UHFFFAOYSA-N 1 1 310.423 1.590 50 0 DDAAMO CN1CC[N@H+](C2Cc3ccccc3C2)C[C@@]12CCNC(=O)CC2 ZINC000828305667 759588991 /nfs/dbraw/zinc/58/89/91/759588991.db2.gz RZZBUEFDCODFRL-LJQANCHMSA-N 1 1 313.445 1.440 50 0 DDAAMO C[N@@H+]1CCN(C2Cc3ccccc3C2)C[C@@]12CCNC(=O)CC2 ZINC000828305667 759588994 /nfs/dbraw/zinc/58/89/94/759588994.db2.gz RZZBUEFDCODFRL-LJQANCHMSA-N 1 1 313.445 1.440 50 0 DDAAMO C[N@H+]1CCN(C2Cc3ccccc3C2)C[C@@]12CCNC(=O)CC2 ZINC000828305667 759588997 /nfs/dbraw/zinc/58/89/97/759588997.db2.gz RZZBUEFDCODFRL-LJQANCHMSA-N 1 1 313.445 1.440 50 0 DDAAMO O=C1O[C@H](C[N@H+]2CCc3n[nH]cc3C2)CN1C1CCCCC1 ZINC000585089084 771939761 /nfs/dbraw/zinc/93/97/61/771939761.db2.gz QWKBGUSDXGXTHU-CQSZACIVSA-N 1 1 304.394 1.921 50 0 DDAAMO COCC[N@@H+](C)C[C@H]1CCCN1c1nnc(-c2ccon2)s1 ZINC000952845434 775569213 /nfs/dbraw/zinc/56/92/13/775569213.db2.gz RRSUSTGSHSVEDF-LLVKDONJSA-N 1 1 323.422 1.740 50 0 DDAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2[nH]cnc(=O)c2c1C ZINC000095478794 185373635 /nfs/dbraw/zinc/37/36/35/185373635.db2.gz ZRUCYOWMUTUVGU-SNVBAGLBSA-N 1 1 320.418 1.507 50 0 DDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc2[nH]cnc(=O)c2c1C ZINC000095478794 185373636 /nfs/dbraw/zinc/37/36/36/185373636.db2.gz ZRUCYOWMUTUVGU-SNVBAGLBSA-N 1 1 320.418 1.507 50 0 DDAAMO Nc1nc(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cc2nncn21 ZINC000095496542 185374236 /nfs/dbraw/zinc/37/42/36/185374236.db2.gz KGEVTPRJTDIOOV-CHWSQXEVSA-N 1 1 313.409 1.017 50 0 DDAAMO Cc1ccccc1[C@H](C(=O)NCCCn1cnnc1)[NH+](C)C ZINC000095524658 185377783 /nfs/dbraw/zinc/37/77/83/185377783.db2.gz WVSLSFUNIGKNGF-OAHLLOKOSA-N 1 1 301.394 1.396 50 0 DDAAMO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000079018916 185146897 /nfs/dbraw/zinc/14/68/97/185146897.db2.gz SVZUEHYUPFPARQ-HOTGVXAUSA-N 1 1 309.454 1.042 50 0 DDAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000079018916 185146898 /nfs/dbraw/zinc/14/68/98/185146898.db2.gz SVZUEHYUPFPARQ-HOTGVXAUSA-N 1 1 309.454 1.042 50 0 DDAAMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cnc(C)cn2)[C@H](C)C1 ZINC000079361216 185167022 /nfs/dbraw/zinc/16/70/22/185167022.db2.gz GNNWOOPDMVRFOR-HIFRSBDPSA-N 1 1 320.437 1.652 50 0 DDAAMO Cc1cc(C[N@H+]2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)on1 ZINC000095402260 185354712 /nfs/dbraw/zinc/35/47/12/185354712.db2.gz UBDNEWILLRFITA-ZDUSSCGKSA-N 1 1 317.393 1.950 50 0 DDAAMO Cc1cc(C[N@@H+]2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)on1 ZINC000095402260 185354713 /nfs/dbraw/zinc/35/47/13/185354713.db2.gz UBDNEWILLRFITA-ZDUSSCGKSA-N 1 1 317.393 1.950 50 0 DDAAMO C[C@@H](C(=O)N[C@@H](CCO)c1ccccc1)[NH+]1CCSCC1 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315.421 1.565 50 0 DDAAMO CNC(=O)c1ccc(C[N@@H+](CCC(=O)N(C)C)C2CC2)cc1 ZINC000025947779 406902703 /nfs/dbraw/zinc/90/27/03/406902703.db2.gz DOFSGCLYGZFELP-UHFFFAOYSA-N 1 1 303.406 1.489 50 0 DDAAMO O=c1n(CC[N@@H+]2CCc3sccc3C2)nc2ccccn21 ZINC000026913314 406906834 /nfs/dbraw/zinc/90/68/34/406906834.db2.gz LMGYXSFXSCGMNV-UHFFFAOYSA-N 1 1 300.387 1.616 50 0 DDAAMO O=c1n(CC[N@H+]2CCc3sccc3C2)nc2ccccn21 ZINC000026913314 406906838 /nfs/dbraw/zinc/90/68/38/406906838.db2.gz LMGYXSFXSCGMNV-UHFFFAOYSA-N 1 1 300.387 1.616 50 0 DDAAMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000012377866 406843707 /nfs/dbraw/zinc/84/37/07/406843707.db2.gz ZNTAMLNNPDZFSI-KCQAQPDRSA-N 1 1 323.389 1.322 50 0 DDAAMO Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000036078209 406976400 /nfs/dbraw/zinc/97/64/00/406976400.db2.gz QLGUDGLJLZTAQH-AWEZNQCLSA-N 1 1 323.418 1.873 50 0 DDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(Br)cn2)CC1 ZINC000028224431 406916184 /nfs/dbraw/zinc/91/61/84/406916184.db2.gz 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Cn1ncc2c1nc(C[N@@H+](C[C@@H]1CCOC1)C1CC1)[nH]c2=O ZINC000052827985 407157415 /nfs/dbraw/zinc/15/74/15/407157415.db2.gz XPONHXKZLNSRKR-JTQLQIEISA-N 1 1 303.366 1.070 50 0 DDAAMO COc1ccccc1CNC(=O)C[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000089927539 407158942 /nfs/dbraw/zinc/15/89/42/407158942.db2.gz BAGAJUOQRPLCGR-ZFWWWQNUSA-N 1 1 306.406 1.547 50 0 DDAAMO CN(C(=O)C[N@@H+]1CC[C@@H](C(N)=O)C1)c1nc2ccccc2s1 ZINC000052962766 407160565 /nfs/dbraw/zinc/16/05/65/407160565.db2.gz UOTDCXIWAGOYAK-SNVBAGLBSA-N 1 1 318.402 1.066 50 0 DDAAMO CN(C(=O)C[N@H+]1CC[C@@H](C(N)=O)C1)c1nc2ccccc2s1 ZINC000052962766 407160567 /nfs/dbraw/zinc/16/05/67/407160567.db2.gz UOTDCXIWAGOYAK-SNVBAGLBSA-N 1 1 318.402 1.066 50 0 DDAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000089937976 407161564 /nfs/dbraw/zinc/16/15/64/407161564.db2.gz BJBRFQZUBMUJAY-LLVKDONJSA-N 1 1 320.418 1.893 50 0 DDAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000089937976 407161566 /nfs/dbraw/zinc/16/15/66/407161566.db2.gz 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O=S(=O)([C@H]1CC[N@@H+](Cc2ccsc2)C1)N1CCCC1 ZINC000092045038 193147353 /nfs/dbraw/zinc/14/73/53/193147353.db2.gz JMLLEIPZEXBEPY-ZDUSSCGKSA-N 1 1 300.449 1.748 50 0 DDAAMO CCOC(=O)N1CCN(C(=O)[C@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000092064968 193150238 /nfs/dbraw/zinc/15/02/38/193150238.db2.gz IYTHXNJQQDRNSD-ZDUSSCGKSA-N 1 1 322.409 1.868 50 0 DDAAMO CCc1nc(CN(C)c2nc(N3CCC[C@@H](O)C3)cc[nH+]2)no1 ZINC000216347212 201490182 /nfs/dbraw/zinc/49/01/82/201490182.db2.gz YTCLKMWEVXCTPD-LLVKDONJSA-N 1 1 318.381 1.020 50 0 DDAAMO CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)ccc2O1 ZINC000093531024 193265497 /nfs/dbraw/zinc/26/54/97/193265497.db2.gz VPEALODPIDXJGV-CQSZACIVSA-N 1 1 324.446 1.524 50 0 DDAAMO CC1(C)Cc2cc(C[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)ccc2O1 ZINC000093531024 193265499 /nfs/dbraw/zinc/26/54/99/193265499.db2.gz VPEALODPIDXJGV-CQSZACIVSA-N 1 1 324.446 1.524 50 0 DDAAMO Cn1cccc1C[N@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000093683263 193288472 /nfs/dbraw/zinc/28/84/72/193288472.db2.gz 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COCC[NH+]1CCN([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000069843106 406779211 /nfs/dbraw/zinc/77/92/11/406779211.db2.gz DFBBIYACNHZJTA-OAHLLOKOSA-N 1 1 311.470 1.335 50 0 DDAAMO CC[C@H]1CN(c2nn3cc(C)nc3s2)CC[N@H+]1CCOC ZINC000069849556 406780627 /nfs/dbraw/zinc/78/06/27/406780627.db2.gz AYBFIFGBLOQVNO-LBPRGKRZSA-N 1 1 309.439 1.646 50 0 DDAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CCNc2ncccn2)C1 ZINC000069876040 406786313 /nfs/dbraw/zinc/78/63/13/406786313.db2.gz SLZAKVRAKROUAN-AWEZNQCLSA-N 1 1 314.393 1.647 50 0 DDAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC000069895043 406788068 /nfs/dbraw/zinc/78/80/68/406788068.db2.gz DCXBHGPJKDPYDS-ZIAGYGMSSA-N 1 1 308.397 1.529 50 0 DDAAMO C[NH+](C)[C@@H](CNc1ccc2nnnn2n1)c1ccccc1Cl ZINC000008939918 406799907 /nfs/dbraw/zinc/79/99/07/406799907.db2.gz NKCIPZOYHNWHBE-LBPRGKRZSA-N 1 1 317.784 1.888 50 0 DDAAMO C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)CCO1 ZINC000010050690 406818441 /nfs/dbraw/zinc/81/84/41/406818441.db2.gz QQGURMULFWOTKE-ZDUSSCGKSA-N 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C[C@@H](CNC(=O)N1CCOC[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000044971275 407036116 /nfs/dbraw/zinc/03/61/16/407036116.db2.gz VOUJTHGZTWZYFW-QWHCGFSZSA-N 1 1 323.462 1.925 50 0 DDAAMO C[C@@H](CNC(=O)N1CCOC[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000044971275 407036119 /nfs/dbraw/zinc/03/61/19/407036119.db2.gz VOUJTHGZTWZYFW-QWHCGFSZSA-N 1 1 323.462 1.925 50 0 DDAAMO Cc1cccc(C[NH+]2CCN(C(=O)[C@H](C)n3cncn3)CC2)c1 ZINC000045197504 407041176 /nfs/dbraw/zinc/04/11/76/407041176.db2.gz XVDYSDWHZBLYSC-HNNXBMFYSA-N 1 1 313.405 1.492 50 0 DDAAMO Cc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cnn(C)c3)C2)no1 ZINC000078771311 407044868 /nfs/dbraw/zinc/04/48/68/407044868.db2.gz MOAGHXGKDHCLBF-CQSZACIVSA-N 1 1 304.398 1.208 50 0 DDAAMO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C[C@H]1O)c1ccncc1 ZINC000077357426 406986904 /nfs/dbraw/zinc/98/69/04/406986904.db2.gz MHLPFUMENOZCIZ-HZPDHXFCSA-N 1 1 303.406 1.579 50 0 DDAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C(C)C ZINC000077504337 406993606 /nfs/dbraw/zinc/99/36/06/406993606.db2.gz 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407193864 /nfs/dbraw/zinc/19/38/64/407193864.db2.gz DDGAGIDVEPVMGW-UHFFFAOYSA-N 1 1 312.417 1.904 50 0 DDAAMO COCCc1noc(CN(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000055120367 407195332 /nfs/dbraw/zinc/19/53/32/407195332.db2.gz SFZIORJGXLYKDX-LSDHHAIUSA-N 1 1 322.453 1.955 50 0 DDAAMO Cc1c(Cl)cccc1CNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055393607 407203265 /nfs/dbraw/zinc/20/32/65/407203265.db2.gz RHBCPEXUUYOHDE-ZDUSSCGKSA-N 1 1 323.824 1.462 50 0 DDAAMO Cc1ccc(N2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)CC2=O)cc1 ZINC000095348860 407207397 /nfs/dbraw/zinc/20/73/97/407207397.db2.gz DHPMUINCMMUCAC-HNNXBMFYSA-N 1 1 315.417 1.512 50 0 DDAAMO CC(C)N1CCC[C@H]([NH+]2CCN(Cc3cccnc3)CC2)C1=O ZINC000095975878 407219714 /nfs/dbraw/zinc/21/97/14/407219714.db2.gz RHTUQBNMFKBSSF-KRWDZBQOSA-N 1 1 316.449 1.599 50 0 DDAAMO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000095978488 407220263 /nfs/dbraw/zinc/22/02/63/407220263.db2.gz CUCDAPPZERPTDI-LBPRGKRZSA-N 1 1 323.462 1.682 50 0 DDAAMO C[N@@H+](CCc1ccncc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000095999371 407222862 /nfs/dbraw/zinc/22/28/62/407222862.db2.gz DVVGGTRKUMEJOP-OAHLLOKOSA-N 1 1 311.451 1.228 50 0 DDAAMO C[N@H+](CC1(CO)CCCC1)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063884410 407236548 /nfs/dbraw/zinc/23/65/48/407236548.db2.gz FJAIUVFBEMKQOR-SJLPKXTDSA-N 1 1 310.482 1.850 50 0 DDAAMO C[N@@H+](CC1(CO)CCCC1)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063884410 407236549 /nfs/dbraw/zinc/23/65/49/407236549.db2.gz FJAIUVFBEMKQOR-SJLPKXTDSA-N 1 1 310.482 1.850 50 0 DDAAMO CN(CC1(CO)CCCC1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063884410 407236550 /nfs/dbraw/zinc/23/65/50/407236550.db2.gz FJAIUVFBEMKQOR-SJLPKXTDSA-N 1 1 310.482 1.850 50 0 DDAAMO CN(CC1(CO)CCCC1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063884410 407236552 /nfs/dbraw/zinc/23/65/52/407236552.db2.gz FJAIUVFBEMKQOR-SJLPKXTDSA-N 1 1 310.482 1.850 50 0 DDAAMO C[C@]1(O)CC[N@H+](Cc2cnc(-c3cccs3)nc2)C[C@@H]1O ZINC000096130925 407239346 /nfs/dbraw/zinc/23/93/46/407239346.db2.gz NVNJSWWTRUGCCC-ZFWWWQNUSA-N 1 1 305.403 1.523 50 0 DDAAMO C[C@]1(O)CC[N@@H+](Cc2cnc(-c3cccs3)nc2)C[C@@H]1O ZINC000096130925 407239350 /nfs/dbraw/zinc/23/93/50/407239350.db2.gz NVNJSWWTRUGCCC-ZFWWWQNUSA-N 1 1 305.403 1.523 50 0 DDAAMO O=C([O-])[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000096180502 407243788 /nfs/dbraw/zinc/24/37/88/407243788.db2.gz CITSHNDBKOODDE-CRAIPNDOSA-N 1 1 315.417 1.843 50 0 DDAAMO O=C([O-])[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000096180502 407243791 /nfs/dbraw/zinc/24/37/91/407243791.db2.gz CITSHNDBKOODDE-CRAIPNDOSA-N 1 1 315.417 1.843 50 0 DDAAMO O=C([O-])[C@@]12C[NH+](Cc3ccncc3)C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096180502 407243792 /nfs/dbraw/zinc/24/37/92/407243792.db2.gz CITSHNDBKOODDE-CRAIPNDOSA-N 1 1 315.417 1.843 50 0 DDAAMO O=C([O-])[C@@]12C[NH+](Cc3ccncc3)C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096180502 407243793 /nfs/dbraw/zinc/24/37/93/407243793.db2.gz CITSHNDBKOODDE-CRAIPNDOSA-N 1 1 315.417 1.843 50 0 DDAAMO CN(C)c1cccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000096418681 407262912 /nfs/dbraw/zinc/26/29/12/407262912.db2.gz ORKRGYZWFBTXTD-UHFFFAOYSA-N 1 1 313.405 1.449 50 0 DDAAMO O[C@@H](Cn1ncnc1-c1ccccc1Cl)C[NH+]1CCOCC1 ZINC000096435834 407265546 /nfs/dbraw/zinc/26/55/46/407265546.db2.gz YITAGBWBVOBBOY-GFCCVEGCSA-N 1 1 322.796 1.292 50 0 DDAAMO CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000096439226 407266315 /nfs/dbraw/zinc/26/63/15/407266315.db2.gz BVKGGGSFOLCBHX-IYBDPMFKSA-N 1 1 322.497 1.702 50 0 DDAAMO Cc1cccc(OC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000096475116 407270410 /nfs/dbraw/zinc/27/04/10/407270410.db2.gz WXONWYZPPDMVQR-GJZGRUSLSA-N 1 1 306.406 1.193 50 0 DDAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)CCc1ccccc1)C2 ZINC000067560573 407276679 /nfs/dbraw/zinc/27/66/79/407276679.db2.gz AWZLVXZLWAFTNX-JKSUJKDBSA-N 1 1 300.402 1.883 50 0 DDAAMO Cc1cc(N2CC[C@H]([N@@H+](C)CCc3ccncc3)C2=O)n(C)n1 ZINC000097051106 407277056 /nfs/dbraw/zinc/27/70/56/407277056.db2.gz CUTDWMVYBWUHPJ-HNNXBMFYSA-N 1 1 313.405 1.403 50 0 DDAAMO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cncs2)C1 ZINC000097081280 407278972 /nfs/dbraw/zinc/27/89/72/407278972.db2.gz SHYRBKYWSNQMLB-OAHLLOKOSA-N 1 1 303.431 2.000 50 0 DDAAMO COCC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000067696459 407280325 /nfs/dbraw/zinc/28/03/25/407280325.db2.gz FZDKHBNELKVYBI-AWEZNQCLSA-N 1 1 313.401 1.819 50 0 DDAAMO O=C(Nc1ncns1)c1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000067692043 407280601 /nfs/dbraw/zinc/28/06/01/407280601.db2.gz SCYYTKQCZLQRBD-LBPRGKRZSA-N 1 1 304.375 1.357 50 0 DDAAMO CCn1cc[nH+]c1Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000097227506 407288137 /nfs/dbraw/zinc/28/81/37/407288137.db2.gz ZQGRWNCOWAZKNO-UHFFFAOYSA-N 1 1 321.344 1.242 50 0 DDAAMO COc1ccc2[nH]c(=O)c(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)cc2c1 ZINC000067881007 407289638 /nfs/dbraw/zinc/28/96/38/407289638.db2.gz PGRUCHUZMHKXBJ-NSHDSACASA-N 1 1 317.389 1.445 50 0 DDAAMO O=C(CCn1cncn1)NC[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000067909112 407290259 /nfs/dbraw/zinc/29/02/59/407290259.db2.gz BZOAUIOXGQKNAW-OAHLLOKOSA-N 1 1 319.453 1.829 50 0 DDAAMO COCc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)s1 ZINC000097259253 407290408 /nfs/dbraw/zinc/29/04/08/407290408.db2.gz ZKCCDFVKCQCZLT-GFCCVEGCSA-N 1 1 312.435 1.471 50 0 DDAAMO Cc1ccc(CN2CCC3(CC2)C(=O)NCCC[N@H+]3C)s1 ZINC000097568767 407299826 /nfs/dbraw/zinc/29/98/26/407299826.db2.gz HZTYJSUGYBOVCG-UHFFFAOYSA-N 1 1 307.463 1.843 50 0 DDAAMO Cc1ccc(CN2CCC3(CC2)C(=O)NCCC[N@@H+]3C)s1 ZINC000097568767 407299827 /nfs/dbraw/zinc/29/98/27/407299827.db2.gz HZTYJSUGYBOVCG-UHFFFAOYSA-N 1 1 307.463 1.843 50 0 DDAAMO Cc1noc(C)c1CN(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000106838913 407362314 /nfs/dbraw/zinc/36/23/14/407362314.db2.gz AXJOIZCFEVOIAT-UONOGXRCSA-N 1 1 322.409 1.296 50 0 DDAAMO CC[N@@H+]1CCO[C@H](C(=O)N([C@H](C)c2ccccn2)C2CC2)C1 ZINC000107147627 407370051 /nfs/dbraw/zinc/37/00/51/407370051.db2.gz RDQWXNCMWPZBPF-CJNGLKHVSA-N 1 1 303.406 1.854 50 0 DDAAMO CC[N@H+]1CCO[C@H](C(=O)N([C@H](C)c2ccccn2)C2CC2)C1 ZINC000107147627 407370052 /nfs/dbraw/zinc/37/00/52/407370052.db2.gz RDQWXNCMWPZBPF-CJNGLKHVSA-N 1 1 303.406 1.854 50 0 DDAAMO Cc1c[nH+]c(CC[C@H]2CCCN2C(=O)CCn2cccn2)n1C ZINC000257175805 407481421 /nfs/dbraw/zinc/48/14/21/407481421.db2.gz QWOFLBUDBJCXOO-OAHLLOKOSA-N 1 1 315.421 1.939 50 0 DDAAMO C[N@H+](Cc1cccc(Cn2cccn2)c1)C[C@H]1COCCO1 ZINC000215442409 407482622 /nfs/dbraw/zinc/48/26/22/407482622.db2.gz BVDNKKPKLGYBOC-KRWDZBQOSA-N 1 1 301.390 1.779 50 0 DDAAMO COc1ccc(CN2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000215483513 407483176 /nfs/dbraw/zinc/48/31/76/407483176.db2.gz JULFJIMMQJRKFN-UHFFFAOYSA-N 1 1 304.438 1.302 50 0 DDAAMO CC(C)(CN1CCOCC1)C[N@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000215538509 407487245 /nfs/dbraw/zinc/48/72/45/407487245.db2.gz GIUXSDNCIUWVDE-LJQANCHMSA-N 1 1 318.461 1.938 50 0 DDAAMO CCc1[nH+]ccn1CCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000215571427 407487863 /nfs/dbraw/zinc/48/78/63/407487863.db2.gz USJCZPJPOSOMQS-CYBMUJFWSA-N 1 1 315.373 1.792 50 0 DDAAMO Cc1cc(=O)n(CC[N@@H+](CC2CCC2)C[C@@H]2CCCO2)c(=O)[nH]1 ZINC000253536624 407454661 /nfs/dbraw/zinc/45/46/61/407454661.db2.gz IVICUSQDUYHXQN-HNNXBMFYSA-N 1 1 321.421 1.538 50 0 DDAAMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000222269907 407552979 /nfs/dbraw/zinc/55/29/79/407552979.db2.gz ZWAZVPNPFARSQH-SWLSCSKDSA-N 1 1 314.426 1.770 50 0 DDAAMO CCCc1cc(CN(C)c2cc(C3CC([NH3+])C3)ncn2)n[nH]1 ZINC000220647370 407543184 /nfs/dbraw/zinc/54/31/84/407543184.db2.gz GQANWZAZRVYFHI-UHFFFAOYSA-N 1 1 300.410 1.993 50 0 DDAAMO Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1C ZINC000229504451 407666145 /nfs/dbraw/zinc/66/61/45/407666145.db2.gz VGEOEZKZNAUNFM-MSOLQXFVSA-N 1 1 315.417 1.934 50 0 DDAAMO Cc1ccc([C@@H](O)C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1C ZINC000229504451 407666154 /nfs/dbraw/zinc/66/61/54/407666154.db2.gz VGEOEZKZNAUNFM-MSOLQXFVSA-N 1 1 315.417 1.934 50 0 DDAAMO Cc1noc(CCCC(=O)NC[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000229369591 407661278 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Cc1csc2nc(C[N@H+](CC(N)=O)C3CCCC3)cc(=O)n12 ZINC000047274153 418454475 /nfs/dbraw/zinc/45/44/75/418454475.db2.gz FZMCLCMTEJKDCR-UHFFFAOYSA-N 1 1 320.418 1.294 50 0 DDAAMO Cc1csc2nc(C[N@@H+](CC(N)=O)C3CCCC3)cc(=O)n12 ZINC000047274153 418454478 /nfs/dbraw/zinc/45/44/78/418454478.db2.gz FZMCLCMTEJKDCR-UHFFFAOYSA-N 1 1 320.418 1.294 50 0 DDAAMO COc1ccc(C[N@H+](C2CC2)[C@H]2CC(=O)N(C3CC3)C2=O)cc1 ZINC000103022670 418496097 /nfs/dbraw/zinc/49/60/97/418496097.db2.gz CFZIGVAGTPWTEO-INIZCTEOSA-N 1 1 314.385 1.950 50 0 DDAAMO COc1ccc(C[N@@H+](C2CC2)[C@H]2CC(=O)N(C3CC3)C2=O)cc1 ZINC000103022670 418496101 /nfs/dbraw/zinc/49/61/01/418496101.db2.gz CFZIGVAGTPWTEO-INIZCTEOSA-N 1 1 314.385 1.950 50 0 DDAAMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000108141104 418499472 /nfs/dbraw/zinc/49/94/72/418499472.db2.gz OJIBDRNPHUYGMQ-IRXDYDNUSA-N 1 1 311.385 1.447 50 0 DDAAMO C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000241231284 222212310 /nfs/dbraw/zinc/21/23/10/222212310.db2.gz KTQJMMRBHHZLFJ-WBVHZDCISA-N 1 1 316.449 1.906 50 0 DDAAMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cccn2)[C@@H](C)C1 ZINC000245287256 222215011 /nfs/dbraw/zinc/21/50/11/222215011.db2.gz BRKLRYQWJKYTMW-JYJNAYRXSA-N 1 1 322.453 1.697 50 0 DDAAMO CN1CCN(C(=O)CC[N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC000408519050 418807289 /nfs/dbraw/zinc/80/72/89/418807289.db2.gz WEUZCBGJZUFRBE-INIZCTEOSA-N 1 1 302.422 1.035 50 0 DDAAMO Cc1cc(C)n2nc(SCC[NH+]3C[C@@H](C)O[C@H](C)C3)nc2n1 ZINC000408524617 418808748 /nfs/dbraw/zinc/80/87/48/418808748.db2.gz WJYVCASVOALOAD-CHWSQXEVSA-N 1 1 321.450 1.942 50 0 DDAAMO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)CCCO1 ZINC000426494292 419489134 /nfs/dbraw/zinc/48/91/34/419489134.db2.gz NENTYWCLKXHVSJ-QGZVFWFLSA-N 1 1 303.406 1.685 50 0 DDAAMO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)CCCO1 ZINC000426494292 419489139 /nfs/dbraw/zinc/48/91/39/419489139.db2.gz NENTYWCLKXHVSJ-QGZVFWFLSA-N 1 1 303.406 1.685 50 0 DDAAMO CCCn1cnnc1CN(C)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426433586 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ZINC000069616541 406742523 /nfs/dbraw/zinc/74/25/23/406742523.db2.gz RBCAODIHNMUZQX-UHFFFAOYSA-N 1 1 321.388 1.443 50 0 DDAAMO CCOC(=O)CN(C)C(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000069620436 406746873 /nfs/dbraw/zinc/74/68/73/406746873.db2.gz MOAQWBVBFRDENM-UHFFFAOYSA-N 1 1 310.419 1.734 50 0 DDAAMO CCOC(=O)CN(C)C(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000069620436 406746878 /nfs/dbraw/zinc/74/68/78/406746878.db2.gz MOAQWBVBFRDENM-UHFFFAOYSA-N 1 1 310.419 1.734 50 0 DDAAMO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1nc(-c3cccs3)no1)CC2 ZINC000069659361 406751048 /nfs/dbraw/zinc/75/10/48/406751048.db2.gz HIJZQYDIGHPVIH-JTQLQIEISA-N 1 1 316.390 1.803 50 0 DDAAMO CCc1nnc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)o1 ZINC000069846259 406781387 /nfs/dbraw/zinc/78/13/87/406781387.db2.gz QIWFYZGUYAUVPI-CYBMUJFWSA-N 1 1 304.398 1.753 50 0 DDAAMO CCc1nnc(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)o1 ZINC000069846259 406781395 /nfs/dbraw/zinc/78/13/95/406781395.db2.gz QIWFYZGUYAUVPI-CYBMUJFWSA-N 1 1 304.398 1.753 50 0 DDAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)Cn2cccn2)C1 ZINC000069870294 406783486 /nfs/dbraw/zinc/78/34/86/406783486.db2.gz VOXJGAPJEVKKFF-DZGCQCFKSA-N 1 1 301.394 1.888 50 0 DDAAMO C[C@H](C(=O)NCc1ccco1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069950727 406794656 /nfs/dbraw/zinc/79/46/56/406794656.db2.gz HOJWIKUGQYYXDS-KGLIPLIRSA-N 1 1 317.393 1.288 50 0 DDAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(C(N)=O)cs1 ZINC000069894598 406786101 /nfs/dbraw/zinc/78/61/01/406786101.db2.gz PZVGTDJFPAFJCK-OLZOCXBDSA-N 1 1 321.446 1.936 50 0 DDAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)OCc2ccccc2)CC1 ZINC000070008674 406800569 /nfs/dbraw/zinc/80/05/69/406800569.db2.gz QAEBXWCEQIZQSE-DOTOQJQBSA-N 1 1 320.433 1.507 50 0 DDAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)OCc2ccccc2)CC1 ZINC000070008669 406801515 /nfs/dbraw/zinc/80/15/15/406801515.db2.gz QAEBXWCEQIZQSE-NVXWUHKLSA-N 1 1 320.433 1.507 50 0 DDAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NC3CC3)CC2)cc1 ZINC000009069347 406803157 /nfs/dbraw/zinc/80/31/57/406803157.db2.gz 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/nfs/dbraw/zinc/90/86/09/406908609.db2.gz ORFIDMOZQZLLLO-CYBMUJFWSA-N 1 1 314.813 1.536 50 0 DDAAMO CN1CCO[C@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000071857591 406853392 /nfs/dbraw/zinc/85/33/92/406853392.db2.gz OTTLCCNSKPNRLE-CYBMUJFWSA-N 1 1 304.419 1.625 50 0 DDAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071870969 406857053 /nfs/dbraw/zinc/85/70/53/406857053.db2.gz KFLPWVDOUNZDHH-LLVKDONJSA-N 1 1 316.323 1.844 50 0 DDAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000071880437 406861721 /nfs/dbraw/zinc/86/17/21/406861721.db2.gz XSDCCDFYTVVQER-SJORKVTESA-N 1 1 315.417 1.761 50 0 DDAAMO NS(=O)(=O)C[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000071910674 406866173 /nfs/dbraw/zinc/86/61/73/406866173.db2.gz RLNDIPRUTUWRLG-ZDUSSCGKSA-N 1 1 314.476 1.779 50 0 DDAAMO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000071907888 406866792 /nfs/dbraw/zinc/86/67/92/406866792.db2.gz PYMFTQKRGMQDSX-LBPRGKRZSA-N 1 1 322.352 1.829 50 0 DDAAMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000071907888 406866793 /nfs/dbraw/zinc/86/67/93/406866793.db2.gz PYMFTQKRGMQDSX-LBPRGKRZSA-N 1 1 322.352 1.829 50 0 DDAAMO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)N2CCOCC2)cc1 ZINC000071909423 406866875 /nfs/dbraw/zinc/86/68/75/406866875.db2.gz SEFQVLGWHUGSGT-MRXNPFEDSA-N 1 1 320.458 1.944 50 0 DDAAMO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)N2CCOCC2)cc1 ZINC000071909423 406866876 /nfs/dbraw/zinc/86/68/76/406866876.db2.gz SEFQVLGWHUGSGT-MRXNPFEDSA-N 1 1 320.458 1.944 50 0 DDAAMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000074350056 406909272 /nfs/dbraw/zinc/90/92/72/406909272.db2.gz GTORUVXDLCTXDD-LBPRGKRZSA-N 1 1 306.362 1.084 50 0 DDAAMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000074350056 406909275 /nfs/dbraw/zinc/90/92/75/406909275.db2.gz GTORUVXDLCTXDD-LBPRGKRZSA-N 1 1 306.362 1.084 50 0 DDAAMO CC(=O)c1cccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000014102434 406869899 /nfs/dbraw/zinc/86/98/99/406869899.db2.gz 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303.341 1.287 50 0 DDAAMO Cc1noc(C)c1C[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900398 185125398 /nfs/dbraw/zinc/12/53/98/185125398.db2.gz YNFXOMZGJBRIPS-LLVKDONJSA-N 1 1 303.366 1.493 50 0 DDAAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Nc1ccc(=O)n(C)c1 ZINC000096999909 185395950 /nfs/dbraw/zinc/39/59/50/185395950.db2.gz IFHPYNZVTGYFPC-LLVKDONJSA-N 1 1 303.366 1.348 50 0 DDAAMO C[C@@H]1C[N@@H+](C2CCN(c3cncc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000095392797 185352000 /nfs/dbraw/zinc/35/20/00/185352000.db2.gz PWGGFHGAKOOEOL-OKILXGFUSA-N 1 1 319.453 1.621 50 0 DDAAMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000095454171 185369801 /nfs/dbraw/zinc/36/98/01/185369801.db2.gz MTKXATNXISNSHJ-SCVCMEIPSA-N 1 1 314.332 1.928 50 0 DDAAMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000095454171 185369802 /nfs/dbraw/zinc/36/98/02/185369802.db2.gz MTKXATNXISNSHJ-SCVCMEIPSA-N 1 1 314.332 1.928 50 0 DDAAMO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(C)on2)cc1 ZINC000585084909 539556621 /nfs/dbraw/zinc/55/66/21/539556621.db2.gz LNBPHSKWPALRFR-GFCCVEGCSA-N 1 1 323.418 1.883 50 0 DDAAMO Cc1noc([C@]23CCC[C@H]2CN(C(=O)Cn2c[nH+]cc2C)C3)n1 ZINC000685943564 539567534 /nfs/dbraw/zinc/56/75/34/539567534.db2.gz YOHGKQRCRGCBQO-BBRMVZONSA-N 1 1 315.377 1.463 50 0 DDAAMO C[C@H](COCc1ccccc1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000069967842 190844509 /nfs/dbraw/zinc/84/45/09/190844509.db2.gz YYWYSUQNISEXFS-CVEARBPZSA-N 1 1 320.433 1.364 50 0 DDAAMO COCc1cc(CNC(=O)c2ccccc2[C@H]2CC[NH2+]C2)n[nH]1 ZINC000072141972 191050061 /nfs/dbraw/zinc/05/00/61/191050061.db2.gz GMAJOMNRQCILSW-LBPRGKRZSA-N 1 1 314.389 1.563 50 0 DDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccs2)CC1 ZINC000072239748 191083159 /nfs/dbraw/zinc/08/31/59/191083159.db2.gz KSIWKPJHCICIRM-CQSZACIVSA-N 1 1 321.446 1.403 50 0 DDAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000072255184 191088591 /nfs/dbraw/zinc/08/85/91/191088591.db2.gz FFDSCHLZJNJDNE-UMVBOHGHSA-N 1 1 306.410 1.193 50 0 DDAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000072255184 191088594 /nfs/dbraw/zinc/08/85/94/191088594.db2.gz FFDSCHLZJNJDNE-UMVBOHGHSA-N 1 1 306.410 1.193 50 0 DDAAMO Cc1cc(C)c2c(c1)CC[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000253392501 186303277 /nfs/dbraw/zinc/30/32/77/186303277.db2.gz MAWNYJFGXQXYHG-OAHLLOKOSA-N 1 1 322.474 1.943 50 0 DDAAMO CCCCN(C)S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000058231729 282758864 /nfs/dbraw/zinc/75/88/64/282758864.db2.gz QWYLDCLEKGTJLB-LBPRGKRZSA-N 1 1 319.496 1.917 50 0 DDAAMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(N)=O ZINC000020387157 352170608 /nfs/dbraw/zinc/17/06/08/352170608.db2.gz WSPDFLABOCRVRX-JCGIZDLHSA-N 1 1 318.417 1.849 50 0 DDAAMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1CC(N)=O ZINC000020387157 352170613 /nfs/dbraw/zinc/17/06/13/352170613.db2.gz WSPDFLABOCRVRX-JCGIZDLHSA-N 1 1 318.417 1.849 50 0 DDAAMO C[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000076058304 353395584 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NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C=C2CCCCC2)CC1 ZINC000069452687 283320104 /nfs/dbraw/zinc/32/01/04/283320104.db2.gz CSLFEVNUSRAQPD-INIZCTEOSA-N 1 1 319.449 1.818 50 0 DDAAMO CCn1ncnc1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000193301876 201024670 /nfs/dbraw/zinc/02/46/70/201024670.db2.gz JQQYKECPUCVMTB-UHFFFAOYSA-N 1 1 315.421 1.495 50 0 DDAAMO C[N@H+]1CCN(C(=O)Cc2ccsc2)C[C@@]12CCNC(=O)CC2 ZINC000091289465 193031990 /nfs/dbraw/zinc/03/19/90/193031990.db2.gz XMMUAPGRAYXYKW-MRXNPFEDSA-N 1 1 321.446 1.104 50 0 DDAAMO CCCc1ccc(C[N@H+]2C[C@H](NC(=O)CO)[C@@H](C3CC3)C2)o1 ZINC000091434501 193054676 /nfs/dbraw/zinc/05/46/76/193054676.db2.gz YGEFUEHSFLHADB-CVEARBPZSA-N 1 1 306.406 1.551 50 0 DDAAMO CCCN1CCC[C@]2(CC[N@@H+](CCn3ccnc3C)C2)C1=O ZINC000091586183 193075099 /nfs/dbraw/zinc/07/50/99/193075099.db2.gz WTZRUXLGEVTCJG-QGZVFWFLSA-N 1 1 304.438 1.916 50 0 DDAAMO CC(C)[C@]1(O)C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC000091602931 193078338 /nfs/dbraw/zinc/07/83/38/193078338.db2.gz YLBWBAYNVXLDTR-CZUORRHYSA-N 1 1 311.447 1.929 50 0 DDAAMO CC(C)[C@]1(O)C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC000091602931 193078340 /nfs/dbraw/zinc/07/83/40/193078340.db2.gz YLBWBAYNVXLDTR-CZUORRHYSA-N 1 1 311.447 1.929 50 0 DDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000091793725 193109568 /nfs/dbraw/zinc/10/95/68/193109568.db2.gz JZKKJKRZQKGMTB-UHFFFAOYSA-N 1 1 322.372 1.395 50 0 DDAAMO O=C1[C@H]2CC[C@H](C[N@H+](C3CCOCC3)C2)N1Cc1ccccn1 ZINC000091894480 193122715 /nfs/dbraw/zinc/12/27/15/193122715.db2.gz VROUIDOSIYYGGT-WMLDXEAASA-N 1 1 315.417 1.683 50 0 DDAAMO Cc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cnn1C ZINC000091915369 193125770 /nfs/dbraw/zinc/12/57/70/193125770.db2.gz HKQFUJYBYYGFGU-DOTOQJQBSA-N 1 1 316.449 1.951 50 0 DDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)CCC3CC3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091998156 193139756 /nfs/dbraw/zinc/13/97/56/193139756.db2.gz PMYKYALBRKHCRQ-YALNPMBYSA-N 1 1 324.465 1.353 50 0 DDAAMO CCN1C[C@H](C(=O)NCCCNc2ccc(C)c[nH+]2)CCC1=O ZINC000092096741 193157681 /nfs/dbraw/zinc/15/76/81/193157681.db2.gz QZTODUWKPGHWAH-CQSZACIVSA-N 1 1 318.421 1.567 50 0 DDAAMO Cc1ccc(NC[C@H]2CCN(c3ccc4nnnn4n3)C2)[nH+]c1 ZINC000097200954 193688452 /nfs/dbraw/zinc/68/84/52/193688452.db2.gz VOFXDLPMFJSRLX-GFCCVEGCSA-N 1 1 310.365 1.161 50 0 DDAAMO O=C(NCCc1ccccn1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000097480208 193725126 /nfs/dbraw/zinc/72/51/26/193725126.db2.gz KJIUWNZZAUNXLK-QGZVFWFLSA-N 1 1 310.401 1.972 50 0 DDAAMO CCN1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019371719 182120191 /nfs/dbraw/zinc/12/01/91/182120191.db2.gz LLYNFLPQYFSAKG-INIZCTEOSA-N 1 1 312.841 1.855 50 0 DDAAMO Cc1ccccc1C[NH+]1CCC(N2CCN(CCO)CC2)CC1 ZINC000019868425 182158361 /nfs/dbraw/zinc/15/83/61/182158361.db2.gz YYAUZFWEWWAQDK-UHFFFAOYSA-N 1 1 317.477 1.569 50 0 DDAAMO COC(=O)c1ccc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)cc1 ZINC000020362924 182211911 /nfs/dbraw/zinc/21/19/11/182211911.db2.gz RTPGUTIRKLDUEM-KRWDZBQOSA-N 1 1 320.433 1.750 50 0 DDAAMO CCOc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000040459169 183070103 /nfs/dbraw/zinc/07/01/03/183070103.db2.gz RUUPCNJWWFEEJV-QLFBSQMISA-N 1 1 309.406 1.934 50 0 DDAAMO CCOc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000040459169 183070106 /nfs/dbraw/zinc/07/01/06/183070106.db2.gz RUUPCNJWWFEEJV-QLFBSQMISA-N 1 1 309.406 1.934 50 0 DDAAMO CC[C@@](C)(Cn1c(=O)[nH]c2ccccc2c1=O)[NH+]1CCOCC1 ZINC000040529011 183094235 /nfs/dbraw/zinc/09/42/35/183094235.db2.gz GXCIKHOGQTUNTN-KRWDZBQOSA-N 1 1 317.389 1.191 50 0 DDAAMO C[NH+]1CCN(CCCCNC(=O)c2cc(F)ccc2F)CC1 ZINC000041361888 183186950 /nfs/dbraw/zinc/18/69/50/183186950.db2.gz QLABRUHZCPKURB-UHFFFAOYSA-N 1 1 311.376 1.722 50 0 DDAAMO O[C@@H]1CCN(c2cc[nH+]c(N3CCOc4ccccc4C3)n2)C1 ZINC000106275216 194193425 /nfs/dbraw/zinc/19/34/25/194193425.db2.gz AVUMDLISOGWBQZ-CQSZACIVSA-N 1 1 312.373 1.447 50 0 DDAAMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2ccccc2n1 ZINC000106166525 194189635 /nfs/dbraw/zinc/18/96/35/194189635.db2.gz IBAGSNMZCBOEIU-GJZGRUSLSA-N 1 1 311.385 1.828 50 0 DDAAMO CC(C)[C@H](C(=O)NCc1ccncc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106515970 194223273 /nfs/dbraw/zinc/22/32/73/194223273.db2.gz OADDOMDFUWXDJV-IJEWVQPXSA-N 1 1 305.422 1.832 50 0 DDAAMO CC(C)[C@H](C(=O)NCc1ccncc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106515970 194223276 /nfs/dbraw/zinc/22/32/76/194223276.db2.gz OADDOMDFUWXDJV-IJEWVQPXSA-N 1 1 305.422 1.832 50 0 DDAAMO COC(=O)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)o1 ZINC000048356212 183650573 /nfs/dbraw/zinc/65/05/73/183650573.db2.gz QMUGGBRHTQFXRJ-LBPRGKRZSA-N 1 1 311.301 1.512 50 0 DDAAMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2cc(C)no2)C[C@@H]1C ZINC000106776976 194251650 /nfs/dbraw/zinc/25/16/50/194251650.db2.gz XGWHDBFPFRXFPS-UONOGXRCSA-N 1 1 324.425 1.353 50 0 DDAAMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2cc(C)no2)C[C@@H]1C ZINC000106776976 194251653 /nfs/dbraw/zinc/25/16/53/194251653.db2.gz XGWHDBFPFRXFPS-UONOGXRCSA-N 1 1 324.425 1.353 50 0 DDAAMO COC(=O)c1ncn(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000058267516 184096984 /nfs/dbraw/zinc/09/69/84/184096984.db2.gz MZVZNMZAIPCGKX-AWEZNQCLSA-N 1 1 318.352 1.868 50 0 DDAAMO COC(=O)c1ncn(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000058267516 184096986 /nfs/dbraw/zinc/09/69/86/184096986.db2.gz MZVZNMZAIPCGKX-AWEZNQCLSA-N 1 1 318.352 1.868 50 0 DDAAMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058315683 184104943 /nfs/dbraw/zinc/10/49/43/184104943.db2.gz PZORKAFMAAMXIL-JQWIXIFHSA-N 1 1 318.352 1.929 50 0 DDAAMO O=C(NCc1ccc(F)cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000058441450 184119029 /nfs/dbraw/zinc/11/90/29/184119029.db2.gz OAVLVSJLTHYYKR-HUUCEWRRSA-N 1 1 307.369 1.488 50 0 DDAAMO CN1CC[NH+](CCCNC(=O)c2cc3ccccc3o2)CC1 ZINC000061524265 184172654 /nfs/dbraw/zinc/17/26/54/184172654.db2.gz VSDYUNMEOUIMDC-UHFFFAOYSA-N 1 1 301.390 1.800 50 0 DDAAMO C[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000065439633 184345459 /nfs/dbraw/zinc/34/54/59/184345459.db2.gz OZDOMNHJMDEGJC-HNNXBMFYSA-N 1 1 320.437 1.764 50 0 DDAAMO C[N@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000065439633 184345460 /nfs/dbraw/zinc/34/54/60/184345460.db2.gz OZDOMNHJMDEGJC-HNNXBMFYSA-N 1 1 320.437 1.764 50 0 DDAAMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)[N@@H+]1CCc2sccc2C1 ZINC000065588499 184369527 /nfs/dbraw/zinc/36/95/27/184369527.db2.gz BKVMDHSAMBKKED-NWDGAFQWSA-N 1 1 321.446 1.137 50 0 DDAAMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)[N@H+]1CCc2sccc2C1 ZINC000065588499 184369530 /nfs/dbraw/zinc/36/95/30/184369530.db2.gz BKVMDHSAMBKKED-NWDGAFQWSA-N 1 1 321.446 1.137 50 0 DDAAMO O[C@H](C[NH+]1CCN(Cc2cscn2)CC1)c1ccccc1 ZINC000068333901 406635517 /nfs/dbraw/zinc/63/55/17/406635517.db2.gz JAKANYQLQOHIIT-MRXNPFEDSA-N 1 1 303.431 1.994 50 0 DDAAMO COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000069223844 406692129 /nfs/dbraw/zinc/69/21/29/406692129.db2.gz HHPMRRMFMMXLNB-GFCCVEGCSA-N 1 1 321.421 1.986 50 0 DDAAMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000069310261 406695390 /nfs/dbraw/zinc/69/53/90/406695390.db2.gz REPYEDBKLIIPGB-KFWWJZLASA-N 1 1 310.438 1.861 50 0 DDAAMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ccccn3)C2)C1 ZINC000069348210 406697310 /nfs/dbraw/zinc/69/73/10/406697310.db2.gz LPAQTRNGWBGYNS-CVEARBPZSA-N 1 1 316.449 1.899 50 0 DDAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCC(=O)N2CCCCC2)n1 ZINC000069534742 406731864 /nfs/dbraw/zinc/73/18/64/406731864.db2.gz UYGVUJJVAUCSPP-MRXNPFEDSA-N 1 1 319.453 1.762 50 0 DDAAMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)NC(N)=O ZINC000069559180 406733423 /nfs/dbraw/zinc/73/34/23/406733423.db2.gz ZOCZEMDPNBMWAZ-UHFFFAOYSA-N 1 1 314.183 1.118 50 0 DDAAMO COc1ccc(Cl)c2c1N(CC[NH+]1CCCC1)C(=O)C2=O ZINC000006760159 406739692 /nfs/dbraw/zinc/73/96/92/406739692.db2.gz GMVUIMBVCMHNFN-UHFFFAOYSA-N 1 1 308.765 1.974 50 0 DDAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069696902 406757698 /nfs/dbraw/zinc/75/76/98/406757698.db2.gz VQPBXWWVSXFOBC-LBPRGKRZSA-N 1 1 308.817 1.886 50 0 DDAAMO Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+]1CCCCC1 ZINC000007780681 406767657 /nfs/dbraw/zinc/76/76/57/406767657.db2.gz MFWNPBJOUDIPFL-UHFFFAOYSA-N 1 1 303.406 1.844 50 0 DDAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3ccoc3)cn2)CC1 ZINC000069414925 406706028 /nfs/dbraw/zinc/70/60/28/406706028.db2.gz RTOVNFLRYHRNPO-UHFFFAOYSA-N 1 1 314.389 1.747 50 0 DDAAMO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CCCS(C)(=O)=O)n1 ZINC000069847032 406780214 /nfs/dbraw/zinc/78/02/14/406780214.db2.gz HLGPNUNGPKYBHL-CQSZACIVSA-N 1 1 314.455 1.184 50 0 DDAAMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CCCS(C)(=O)=O)n1 ZINC000069847032 406780219 /nfs/dbraw/zinc/78/02/19/406780219.db2.gz HLGPNUNGPKYBHL-CQSZACIVSA-N 1 1 314.455 1.184 50 0 DDAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)n1 ZINC000069846387 406782141 /nfs/dbraw/zinc/78/21/41/406782141.db2.gz XCSGORKNFJOPIH-HNNXBMFYSA-N 1 1 305.426 1.229 50 0 DDAAMO CCc1nc2n(n1)C[C@H]([NH2+]Cc1nnc(-c3ccccc3)o1)CC2 ZINC000069810425 406774620 /nfs/dbraw/zinc/77/46/20/406774620.db2.gz BVNYQVQDMLZRIR-CYBMUJFWSA-N 1 1 324.388 1.995 50 0 DDAAMO CC[C@H]1C[N@H+](CC[S@@](=O)c2ccccc2)CCN1CCOC ZINC000070036973 406804559 /nfs/dbraw/zinc/80/45/59/406804559.db2.gz SUTSNOBYZILPNS-AOMKIAJQSA-N 1 1 324.490 1.837 50 0 DDAAMO CC[C@H]1C[N@@H+](CC[S@@](=O)c2ccccc2)CCN1CCOC ZINC000070036973 406804562 /nfs/dbraw/zinc/80/45/62/406804562.db2.gz SUTSNOBYZILPNS-AOMKIAJQSA-N 1 1 324.490 1.837 50 0 DDAAMO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cnn(-c3ccccc3)n1)CC2 ZINC000069951414 406796615 /nfs/dbraw/zinc/79/66/15/406796615.db2.gz AGKAGTUOMNQOOB-ZDUSSCGKSA-N 1 1 309.377 1.272 50 0 DDAAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cccc(OCC(N)=O)c2)cn1 ZINC000069968271 406797482 /nfs/dbraw/zinc/79/74/82/406797482.db2.gz CHCAHPYLIDOHMA-INIZCTEOSA-N 1 1 314.389 1.621 50 0 DDAAMO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(C)no2)CC[N@H+]1CCOC ZINC000069972567 406798408 /nfs/dbraw/zinc/79/84/08/406798408.db2.gz BPUNOXKRXDWLAQ-UONOGXRCSA-N 1 1 324.425 1.353 50 0 DDAAMO COCC[NH+]1CCN(CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000069972441 406799018 /nfs/dbraw/zinc/79/90/18/406799018.db2.gz YMRXUUVHOLMXMQ-UHFFFAOYSA-N 1 1 311.470 1.430 50 0 DDAAMO Cc1cc2c(cc1NC(=O)C[NH+]1CCCCC1)n(C)c(=O)n2C ZINC000009607705 406810691 /nfs/dbraw/zinc/81/06/91/406810691.db2.gz CZBBRQUZTQCAMJ-UHFFFAOYSA-N 1 1 316.405 1.610 50 0 DDAAMO CC(=O)NCCNC(=O)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000011210741 406825776 /nfs/dbraw/zinc/82/57/76/406825776.db2.gz VMNRALSTCUPYMK-UHFFFAOYSA-N 1 1 305.422 1.494 50 0 DDAAMO CC(=O)NCCNC(=O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000011210741 406825779 /nfs/dbraw/zinc/82/57/79/406825779.db2.gz VMNRALSTCUPYMK-UHFFFAOYSA-N 1 1 305.422 1.494 50 0 DDAAMO O=C1CCCN1CCC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000071824775 406847846 /nfs/dbraw/zinc/84/78/46/406847846.db2.gz SXYHNQKWVRLVHL-MRXNPFEDSA-N 1 1 315.417 1.562 50 0 DDAAMO Cn1cc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cn1 ZINC000012579376 406848135 /nfs/dbraw/zinc/84/81/35/406848135.db2.gz FRPZATRRUBZTSD-HNNXBMFYSA-N 1 1 320.437 1.271 50 0 DDAAMO COCCNC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000012792163 406852600 /nfs/dbraw/zinc/85/26/00/406852600.db2.gz OWCLPZYYCVFRQK-ZDUSSCGKSA-N 1 1 310.394 1.157 50 0 DDAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 ZINC000071870803 406856169 /nfs/dbraw/zinc/85/61/69/406856169.db2.gz SWCXVXOBZQXHSH-LSDHHAIUSA-N 1 1 320.437 1.330 50 0 DDAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 ZINC000071871282 406856419 /nfs/dbraw/zinc/85/64/19/406856419.db2.gz DYHXKMOOFWFHJP-NSHDSACASA-N 1 1 321.808 1.960 50 0 DDAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000071871398 406857778 /nfs/dbraw/zinc/85/77/78/406857778.db2.gz FRAZKQRZYLRHCX-ZIAGYGMSSA-N 1 1 308.397 1.529 50 0 DDAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000071871399 406857898 /nfs/dbraw/zinc/85/78/98/406857898.db2.gz FRAZKQRZYLRHCX-KBPBESRZSA-N 1 1 308.397 1.529 50 0 DDAAMO Cc1cc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)on1 ZINC000071871645 406857986 /nfs/dbraw/zinc/85/79/86/406857986.db2.gz FQLGTFUWDBXGFO-UHFFFAOYSA-N 1 1 317.393 1.951 50 0 DDAAMO Cc1cc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)on1 ZINC000071871645 406857990 /nfs/dbraw/zinc/85/79/90/406857990.db2.gz FQLGTFUWDBXGFO-UHFFFAOYSA-N 1 1 317.393 1.951 50 0 DDAAMO C[C@@H](O)C[N@H+]1CCN(CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000071879593 406859030 /nfs/dbraw/zinc/85/90/30/406859030.db2.gz VNEGAGCMQMUXFN-LSDHHAIUSA-N 1 1 311.470 1.212 50 0 DDAAMO C[C@@H](O)CN1CC[N@H+](CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000071879593 406859034 /nfs/dbraw/zinc/85/90/34/406859034.db2.gz VNEGAGCMQMUXFN-LSDHHAIUSA-N 1 1 311.470 1.212 50 0 DDAAMO C[C@@H](O)CN1CC[N@@H+](CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000071879593 406859037 /nfs/dbraw/zinc/85/90/37/406859037.db2.gz VNEGAGCMQMUXFN-LSDHHAIUSA-N 1 1 311.470 1.212 50 0 DDAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2C[C@H](O)COCc2ccco2)c1 ZINC000071876991 406859096 /nfs/dbraw/zinc/85/90/96/406859096.db2.gz SZICDBJGQPEMOR-HOTGVXAUSA-N 1 1 319.405 1.827 50 0 DDAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2C[C@H](O)Cn2cccn2)c1 ZINC000071878569 406859619 /nfs/dbraw/zinc/85/96/19/406859619.db2.gz NQJVMAPEGHRPMM-HOTGVXAUSA-N 1 1 303.410 1.304 50 0 DDAAMO Cc1nonc1C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012386922 406843534 /nfs/dbraw/zinc/84/35/34/406843534.db2.gz WYYNMULKXFKSEU-OAHLLOKOSA-N 1 1 314.389 1.815 50 0 DDAAMO Cc1noc(CCCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000075130744 406923104 /nfs/dbraw/zinc/92/31/04/406923104.db2.gz NHGBMOFJYKVZLE-UONOGXRCSA-N 1 1 306.410 1.786 50 0 DDAAMO O=C(CC[N@H+]1CCCC[C@@H]1Cn1cncn1)N1CCCCC1 ZINC000075131962 406923526 /nfs/dbraw/zinc/92/35/26/406923526.db2.gz CHNNHAWRYWCKIL-OAHLLOKOSA-N 1 1 305.426 1.535 50 0 DDAAMO CC[C@@H]1CN(Cc2nnsc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000075129430 406923920 /nfs/dbraw/zinc/92/39/20/406923920.db2.gz OXTNGJGAXVHSEI-NXEZZACHSA-N 1 1 304.847 1.469 50 0 DDAAMO Cc1noc(CO[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000075876363 406944512 /nfs/dbraw/zinc/94/45/12/406944512.db2.gz NQSTVUPLZSITJP-CYBMUJFWSA-N 1 1 319.365 1.091 50 0 DDAAMO C[C@@H](CNS(=O)(=O)N1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000032441164 406947744 /nfs/dbraw/zinc/94/77/44/406947744.db2.gz FSSWDWBHRRFVKD-KGLIPLIRSA-N 1 1 303.472 1.570 50 0 DDAAMO CC[NH+]1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 ZINC000032501768 406949381 /nfs/dbraw/zinc/94/93/81/406949381.db2.gz DHNGWIOBMBGFBE-UHFFFAOYSA-N 1 1 301.394 1.363 50 0 DDAAMO CCOC[C@@H](O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000078700145 407042029 /nfs/dbraw/zinc/04/20/29/407042029.db2.gz ZTBJSBCJUYYSIP-HNNXBMFYSA-N 1 1 322.405 1.591 50 0 DDAAMO Cc1nc(C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)cc(=O)[nH]1 ZINC000077297855 406983040 /nfs/dbraw/zinc/98/30/40/406983040.db2.gz UJHAWEHAHGZOKJ-UHFFFAOYSA-N 1 1 310.361 1.734 50 0 DDAAMO Cc1nccn1CCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000077286782 406983541 /nfs/dbraw/zinc/98/35/41/406983541.db2.gz YQAFTHLTXPJYTE-QGZVFWFLSA-N 1 1 306.454 1.768 50 0 DDAAMO CC[NH+]1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 ZINC000041184222 407006558 /nfs/dbraw/zinc/00/65/58/407006558.db2.gz RQTLZSSZEQQZGJ-UHFFFAOYSA-N 1 1 314.389 1.833 50 0 DDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000048243603 407092913 /nfs/dbraw/zinc/09/29/13/407092913.db2.gz MQGUTQISVHVPEB-HNNXBMFYSA-N 1 1 322.453 1.725 50 0 DDAAMO CC(C)N(C[C@@H]1CCC[N@H+](CC(N)=O)C1)C(=O)OC(C)(C)C ZINC000048273909 407093879 /nfs/dbraw/zinc/09/38/79/407093879.db2.gz ZKWFDPCSFAJGKP-CYBMUJFWSA-N 1 1 313.442 1.829 50 0 DDAAMO CC(C)N(C[C@@H]1CCC[N@@H+](CC(N)=O)C1)C(=O)OC(C)(C)C ZINC000048273909 407093880 /nfs/dbraw/zinc/09/38/80/407093880.db2.gz ZKWFDPCSFAJGKP-CYBMUJFWSA-N 1 1 313.442 1.829 50 0 DDAAMO O=C(C[N@H+]1CCCN(c2cncc(F)c2)CC1)N1CCCC1 ZINC000089764641 407148387 /nfs/dbraw/zinc/14/83/87/407148387.db2.gz NOSNOXHYGFKZSB-UHFFFAOYSA-N 1 1 306.385 1.355 50 0 DDAAMO O=C(C[N@@H+]1CCCN(c2cncc(F)c2)CC1)N1CCCC1 ZINC000089764641 407148388 /nfs/dbraw/zinc/14/83/88/407148388.db2.gz NOSNOXHYGFKZSB-UHFFFAOYSA-N 1 1 306.385 1.355 50 0 DDAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2cccn2C)CC1 ZINC000089885230 407155725 /nfs/dbraw/zinc/15/57/25/407155725.db2.gz KHZUIAVZAATTRM-UHFFFAOYSA-N 1 1 320.437 1.086 50 0 DDAAMO CC(=O)NCCc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000089938496 407160687 /nfs/dbraw/zinc/16/06/87/407160687.db2.gz QZNAFPIXQUKOFW-ZDUSSCGKSA-N 1 1 303.406 1.141 50 0 DDAAMO CC(=O)NCCc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089938496 407160689 /nfs/dbraw/zinc/16/06/89/407160689.db2.gz QZNAFPIXQUKOFW-ZDUSSCGKSA-N 1 1 303.406 1.141 50 0 DDAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000089938299 407160810 /nfs/dbraw/zinc/16/08/10/407160810.db2.gz VMDQJMRRDGZDRR-LLVKDONJSA-N 1 1 323.828 1.506 50 0 DDAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000089938299 407160814 /nfs/dbraw/zinc/16/08/14/407160814.db2.gz VMDQJMRRDGZDRR-LLVKDONJSA-N 1 1 323.828 1.506 50 0 DDAAMO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000053282364 407166731 /nfs/dbraw/zinc/16/67/31/407166731.db2.gz ULDTYVQTWDAORI-ZDUSSCGKSA-N 1 1 322.453 1.313 50 0 DDAAMO CC(C)N1C[C@@H](C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1=O ZINC000053349639 407167829 /nfs/dbraw/zinc/16/78/29/407167829.db2.gz VSQNMDPHCOBLMC-INIZCTEOSA-N 1 1 317.433 1.492 50 0 DDAAMO C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCCC2)CC[C@]1(C)O ZINC000091643824 407182771 /nfs/dbraw/zinc/18/27/71/407182771.db2.gz BOVOMBVIPDPPRU-WBVHZDCISA-N 1 1 324.465 1.641 50 0 DDAAMO CC[NH+]1CCN(C2=NCCN2C(=O)c2cccc(Cl)c2)CC1 ZINC000096339187 407259016 /nfs/dbraw/zinc/25/90/16/407259016.db2.gz ITJBINCTDOFWKG-UHFFFAOYSA-N 1 1 320.824 1.789 50 0 DDAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000095353455 407207780 /nfs/dbraw/zinc/20/77/80/407207780.db2.gz YVZHSBDMRLCHFJ-KRWDZBQOSA-N 1 1 318.421 1.050 50 0 DDAAMO CNc1cc(C)nc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)n1 ZINC000095355008 407208426 /nfs/dbraw/zinc/20/84/26/407208426.db2.gz XKVKTBCOPNVHFD-AWEZNQCLSA-N 1 1 305.426 1.252 50 0 DDAAMO CNc1cc(C)nc(N2CCC([N@H+]3CCC[C@H](O)C3)CC2)n1 ZINC000095355008 407208427 /nfs/dbraw/zinc/20/84/27/407208427.db2.gz XKVKTBCOPNVHFD-AWEZNQCLSA-N 1 1 305.426 1.252 50 0 DDAAMO CCCc1nnc(N2CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000095368773 407209788 /nfs/dbraw/zinc/20/97/88/407209788.db2.gz IOQOLSZHCIWKCT-AWEZNQCLSA-N 1 1 307.442 1.486 50 0 DDAAMO Nc1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000095368771 407209860 /nfs/dbraw/zinc/20/98/60/407209860.db2.gz RAAIIWJLEHPKCU-LSDHHAIUSA-N 1 1 300.406 1.497 50 0 DDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)c(OC)co1)C2 ZINC000095369687 407209957 /nfs/dbraw/zinc/20/99/57/407209957.db2.gz LUNVCEVXVQSDQI-UONOGXRCSA-N 1 1 322.405 1.191 50 0 DDAAMO Cc1ccccc1[C@H](C(=O)N1CC(N2CCOCC2)C1)[NH+](C)C ZINC000095525925 407214497 /nfs/dbraw/zinc/21/44/97/407214497.db2.gz MLXLJPNEJHCNJT-QGZVFWFLSA-N 1 1 317.433 1.141 50 0 DDAAMO COc1cccc(-c2nc3c([nH]2)CN(C(=O)[C@@H](C)[NH3+])CC3)c1 ZINC000096141639 407240747 /nfs/dbraw/zinc/24/07/47/407240747.db2.gz IYYLKNZVQZBVLQ-SNVBAGLBSA-N 1 1 300.362 1.317 50 0 DDAAMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CCCC3)C2)cn1 ZINC000065267387 407241655 /nfs/dbraw/zinc/24/16/55/407241655.db2.gz 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/nfs/dbraw/zinc/26/42/35/407264235.db2.gz SIGQJNZNEKCNNX-GFCCVEGCSA-N 1 1 311.769 1.829 50 0 DDAAMO CCc1nc(Cl)c(C)c(NC2CC[NH+](CC(N)=O)CC2)n1 ZINC000096449385 407268295 /nfs/dbraw/zinc/26/82/95/407268295.db2.gz SAAZYPUQFKOXIK-UHFFFAOYSA-N 1 1 311.817 1.362 50 0 DDAAMO COC[C@H](C)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000097046008 407276644 /nfs/dbraw/zinc/27/66/44/407276644.db2.gz VBEDEXDODVZWRV-AWEZNQCLSA-N 1 1 305.422 1.450 50 0 DDAAMO CC(=O)NCCCC(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000067769772 407283527 /nfs/dbraw/zinc/28/35/27/407283527.db2.gz QDDPIAQXXQTOJK-UHFFFAOYSA-N 1 1 309.454 1.770 50 0 DDAAMO Cc1nc(C)c(C[N@H+]2CC[C@@H](CNS(C)(=O)=O)C2)s1 ZINC000067784509 407284585 /nfs/dbraw/zinc/28/45/85/407284585.db2.gz RFHUBFWZGDEGOW-NSHDSACASA-N 1 1 303.453 1.131 50 0 DDAAMO Cc1nc(N)ncc1C(=O)NCC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000067920315 407289888 /nfs/dbraw/zinc/28/98/88/407289888.db2.gz ZLYOFKGRSFFYSP-AWEZNQCLSA-N 1 1 319.453 1.855 50 0 DDAAMO Cc1cc(C)n2ncc(C[N@H+](C)C[C@H](C)N3CCOCC3)c2n1 ZINC000067981950 407292564 /nfs/dbraw/zinc/29/25/64/407292564.db2.gz BWZNBXAIVIPWFB-HNNXBMFYSA-N 1 1 317.437 1.499 50 0 DDAAMO CC(C)Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)n(C)n1 ZINC000097475023 407298235 /nfs/dbraw/zinc/29/82/35/407298235.db2.gz XDRBIYZJGYVKGD-DZGCQCFKSA-N 1 1 304.438 1.785 50 0 DDAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)N(C)CCc2ccccn2)C1 ZINC000097578566 407300133 /nfs/dbraw/zinc/30/01/33/407300133.db2.gz KPUPXYRJIKONGV-MRXNPFEDSA-N 1 1 305.422 1.582 50 0 DDAAMO CC(=O)c1cc(CN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)cs1 ZINC000097679869 407300829 /nfs/dbraw/zinc/30/08/29/407300829.db2.gz SLYJXLFNFZEHGK-GJZGRUSLSA-N 1 1 324.446 1.218 50 0 DDAAMO CC(=O)c1cc(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cs1 ZINC000097679869 407300830 /nfs/dbraw/zinc/30/08/30/407300830.db2.gz SLYJXLFNFZEHGK-GJZGRUSLSA-N 1 1 324.446 1.218 50 0 DDAAMO COCCn1cc(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cn1 ZINC000107155110 407370082 /nfs/dbraw/zinc/37/00/82/407370082.db2.gz YSJHDJOMSBFLTH-SMDDNHRTSA-N 1 1 307.398 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/nfs/dbraw/zinc/19/21/34/194192134.db2.gz XWZVMZLZWFYUKU-GFCCVEGCSA-N 1 1 319.796 1.732 50 0 DDAAMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2C)C1 ZINC000110613215 194343142 /nfs/dbraw/zinc/34/31/42/194343142.db2.gz KACHNQXAZBXJQJ-USXIJHARSA-N 1 1 302.418 1.935 50 0 DDAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000057944919 184063119 /nfs/dbraw/zinc/06/31/19/184063119.db2.gz LDEDPFVTJAQDCI-LSDHHAIUSA-N 1 1 306.406 1.301 50 0 DDAAMO NC(=O)C1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000059781987 184141156 /nfs/dbraw/zinc/14/11/56/184141156.db2.gz LHGMBZUSVKNAQF-UHFFFAOYSA-N 1 1 303.337 1.687 50 0 DDAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)NCC(C)C)OCCO3 ZINC000064794965 184303091 /nfs/dbraw/zinc/30/30/91/184303091.db2.gz ZRXKHJOAMOTGGP-UHFFFAOYSA-N 1 1 303.362 1.888 50 0 DDAAMO CCc1ccc([C@H](O)C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000065255262 184318500 /nfs/dbraw/zinc/31/85/00/184318500.db2.gz CRDXIHFJLDJVOH-QGZVFWFLSA-N 1 1 312.417 1.895 50 0 DDAAMO CC[N@@H+](C)CCNC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000065415539 184340730 /nfs/dbraw/zinc/34/07/30/184340730.db2.gz FUQWEFTUBBAZRC-UHFFFAOYSA-N 1 1 307.394 1.200 50 0 DDAAMO COc1cc2c(cc1C[NH2+]CC(=O)Nc1cnccn1)CCC2 ZINC000065417381 184341327 /nfs/dbraw/zinc/34/13/27/184341327.db2.gz HHVRYJYZQPWLEB-UHFFFAOYSA-N 1 1 312.373 1.702 50 0 DDAAMO Cc1nnc(CNC(=O)[C@@H]2CCC[N@H+](C3CCCCC3)C2)[nH]1 ZINC000065490600 184353688 /nfs/dbraw/zinc/35/36/88/184353688.db2.gz CTNYQPPEUCJEOE-CYBMUJFWSA-N 1 1 305.426 1.774 50 0 DDAAMO Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000065490600 184353691 /nfs/dbraw/zinc/35/36/91/184353691.db2.gz CTNYQPPEUCJEOE-CYBMUJFWSA-N 1 1 305.426 1.774 50 0 DDAAMO Cc1nc(CNC(=O)[C@@H]2CCC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000065490600 184353693 /nfs/dbraw/zinc/35/36/93/184353693.db2.gz CTNYQPPEUCJEOE-CYBMUJFWSA-N 1 1 305.426 1.774 50 0 DDAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2ccccc2COC)C1 ZINC000068493025 406642992 /nfs/dbraw/zinc/64/29/92/406642992.db2.gz 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/nfs/dbraw/zinc/75/69/41/406756941.db2.gz ZPPZWPLYOHTLIQ-MRXNPFEDSA-N 1 1 319.453 1.619 50 0 DDAAMO O=C(C[N@@H+](CCO)CCCO)N1CCC[C@H]1c1cccs1 ZINC000069700730 406757769 /nfs/dbraw/zinc/75/77/69/406757769.db2.gz SQHITBVMNULMMI-ZDUSSCGKSA-N 1 1 312.435 1.088 50 0 DDAAMO O=C(C[N@H+](CCO)CCCO)N1CCC[C@H]1c1cccs1 ZINC000069700730 406757770 /nfs/dbraw/zinc/75/77/70/406757770.db2.gz SQHITBVMNULMMI-ZDUSSCGKSA-N 1 1 312.435 1.088 50 0 DDAAMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1ccncc1 ZINC000069740703 406765584 /nfs/dbraw/zinc/76/55/84/406765584.db2.gz KLQBCDQBLLOUSQ-UHFFFAOYSA-N 1 1 319.453 1.249 50 0 DDAAMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCc1ccncc1 ZINC000069740703 406765588 /nfs/dbraw/zinc/76/55/88/406765588.db2.gz KLQBCDQBLLOUSQ-UHFFFAOYSA-N 1 1 319.453 1.249 50 0 DDAAMO Cc1nn(CC(C)C)c(N(C)C)c1C[NH2+]Cc1ccnn1C ZINC000069773808 406770442 /nfs/dbraw/zinc/77/04/42/406770442.db2.gz UQBDYONZLQKESA-UHFFFAOYSA-N 1 1 304.442 1.937 50 0 DDAAMO Cc1nc2n(n1)C[C@H]([NH2+]Cc1nc(-c3ccco3)no1)CC2 ZINC000069820066 406778032 /nfs/dbraw/zinc/77/80/32/406778032.db2.gz VITKNGGUKMWULZ-SNVBAGLBSA-N 1 1 300.322 1.334 50 0 DDAAMO C[C@@H]1C[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)O1 ZINC000069879303 406785954 /nfs/dbraw/zinc/78/59/54/406785954.db2.gz LWNJGHKSPIDQOE-GFCCVEGCSA-N 1 1 312.435 1.376 50 0 DDAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000069917760 406791644 /nfs/dbraw/zinc/79/16/44/406791644.db2.gz HJXRRNRAZWSVAT-OAHLLOKOSA-N 1 1 315.421 1.975 50 0 DDAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000069924183 406792084 /nfs/dbraw/zinc/79/20/84/406792084.db2.gz MSWYYVRBNABRQW-INIZCTEOSA-N 1 1 320.433 1.543 50 0 DDAAMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069947492 406793235 /nfs/dbraw/zinc/79/32/35/406793235.db2.gz MYKXXKLMQHXXHH-CQSZACIVSA-N 1 1 316.409 1.716 50 0 DDAAMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069947492 406793238 /nfs/dbraw/zinc/79/32/38/406793238.db2.gz MYKXXKLMQHXXHH-CQSZACIVSA-N 1 1 316.409 1.716 50 0 DDAAMO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000070018784 406805057 /nfs/dbraw/zinc/80/50/57/406805057.db2.gz OHJXNYCJHFCMLT-TZMCWYRMSA-N 1 1 320.389 1.267 50 0 DDAAMO COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000071385417 406838534 /nfs/dbraw/zinc/83/85/34/406838534.db2.gz KWHAILCNAZMEAH-KBPBESRZSA-N 1 1 306.406 1.921 50 0 DDAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCNC2=O)cc1 ZINC000012851388 406853943 /nfs/dbraw/zinc/85/39/43/406853943.db2.gz RMNGANFZCYHGMZ-NSHDSACASA-N 1 1 307.419 1.781 50 0 DDAAMO COCC[N@@H+]1CCN(CC(=O)N(C)Cc2ccccc2)C[C@H]1C ZINC000071864751 406855571 /nfs/dbraw/zinc/85/55/71/406855571.db2.gz WYIUSQKTSRBMKE-MRXNPFEDSA-N 1 1 319.449 1.298 50 0 DDAAMO COCC[N@H+]1CCN(CC(=O)N(C)Cc2ccccc2)C[C@H]1C ZINC000071864751 406855574 /nfs/dbraw/zinc/85/55/74/406855574.db2.gz WYIUSQKTSRBMKE-MRXNPFEDSA-N 1 1 319.449 1.298 50 0 DDAAMO Cc1cnn(C[C@H]2CCC[N@H+]2CC(=O)N(C)c2nccs2)c1 ZINC000071875946 406858416 /nfs/dbraw/zinc/85/84/16/406858416.db2.gz LIYNMENJNHPYAV-CYBMUJFWSA-N 1 1 319.434 1.775 50 0 DDAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2CC(=O)N(C)c2nccs2)c1 ZINC000071875946 406858417 /nfs/dbraw/zinc/85/84/17/406858417.db2.gz LIYNMENJNHPYAV-CYBMUJFWSA-N 1 1 319.434 1.775 50 0 DDAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000013146016 406859661 /nfs/dbraw/zinc/85/96/61/406859661.db2.gz ZJNIFIHUHWUOJP-UONOGXRCSA-N 1 1 311.378 1.432 50 0 DDAAMO C[C@@H](C(=O)NCc1ccco1)[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071878724 406859958 /nfs/dbraw/zinc/85/99/58/406859958.db2.gz LXFTWLZGXBMVEW-UONOGXRCSA-N 1 1 317.393 1.431 50 0 DDAAMO C[C@@H](C(=O)NCc1ccco1)[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071878724 406859960 /nfs/dbraw/zinc/85/99/60/406859960.db2.gz LXFTWLZGXBMVEW-UONOGXRCSA-N 1 1 317.393 1.431 50 0 DDAAMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CSc1ccccc1 ZINC000071896513 406864198 /nfs/dbraw/zinc/86/41/98/406864198.db2.gz DUKFVUWEQQUTPR-UHFFFAOYSA-N 1 1 321.490 1.875 50 0 DDAAMO O=[S@](CC[N@H+]1CCCC[C@@H]1Cn1cncn1)c1ccccc1 ZINC000072253343 406876825 /nfs/dbraw/zinc/87/68/25/406876825.db2.gz LTHBSYKGMPGDKO-QRQCRPRQSA-N 1 1 318.446 1.940 50 0 DDAAMO CC(C)Oc1cccc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000020550000 406887807 /nfs/dbraw/zinc/88/78/07/406887807.db2.gz KXOUHRZGFHRVAL-UHFFFAOYSA-N 1 1 306.406 1.926 50 0 DDAAMO C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1[NH+]1CCOCC1 ZINC000076053769 406951634 /nfs/dbraw/zinc/95/16/34/406951634.db2.gz NVPVAEZUJBDNBV-OWCLPIDISA-N 1 1 310.438 1.515 50 0 DDAAMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)o1 ZINC000077357122 406986566 /nfs/dbraw/zinc/98/65/66/406986566.db2.gz JYLFNBSJVFVASJ-HZPDHXFCSA-N 1 1 315.373 1.348 50 0 DDAAMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)o1 ZINC000077357122 406986568 /nfs/dbraw/zinc/98/65/68/406986568.db2.gz JYLFNBSJVFVASJ-HZPDHXFCSA-N 1 1 315.373 1.348 50 0 DDAAMO CO[C@H](C)c1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000077441798 406990943 /nfs/dbraw/zinc/99/09/43/406990943.db2.gz GIJWEXYUNJAFKF-CZUORRHYSA-N 1 1 320.437 1.761 50 0 DDAAMO CN(C)c1nc(N)nc(C[N@H+](C)CCCc2ccccc2)n1 ZINC000048363606 407096252 /nfs/dbraw/zinc/09/62/52/407096252.db2.gz WYQVEBMDMKBLNT-UHFFFAOYSA-N 1 1 300.410 1.584 50 0 DDAAMO CN(C)c1nc(N)nc(C[N@@H+](C)CCCc2ccccc2)n1 ZINC000048363606 407096255 /nfs/dbraw/zinc/09/62/55/407096255.db2.gz WYQVEBMDMKBLNT-UHFFFAOYSA-N 1 1 300.410 1.584 50 0 DDAAMO COCC[N@H+]1CCC[C@H](Nc2ccc3nnc(C4CC4)n3n2)C1 ZINC000089414547 407133276 /nfs/dbraw/zinc/13/32/76/407133276.db2.gz YJQOWZPXNJECAB-ZDUSSCGKSA-N 1 1 316.409 1.524 50 0 DDAAMO Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000089651159 407143294 /nfs/dbraw/zinc/14/32/94/407143294.db2.gz LWPDGAGGOKFPQE-JSGCOSHPSA-N 1 1 312.410 1.991 50 0 DDAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000089938842 407160830 /nfs/dbraw/zinc/16/08/30/407160830.db2.gz WAWPBIRYVVDJDA-JTQLQIEISA-N 1 1 305.407 1.320 50 0 DDAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000089938842 407160833 /nfs/dbraw/zinc/16/08/33/407160833.db2.gz 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O=C(CC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCOCC1 ZINC000012307009 406840546 /nfs/dbraw/zinc/84/05/46/406840546.db2.gz ZGGXILNCHOQQPH-INIZCTEOSA-N 1 1 317.433 1.933 50 0 DDAAMO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000071842037 406851183 /nfs/dbraw/zinc/85/11/83/406851183.db2.gz LSROCIZVBDGYHN-CYBMUJFWSA-N 1 1 313.419 1.316 50 0 DDAAMO CS(=O)(=O)c1ccc(OCCC[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000071842037 406851186 /nfs/dbraw/zinc/85/11/86/406851186.db2.gz LSROCIZVBDGYHN-CYBMUJFWSA-N 1 1 313.419 1.316 50 0 DDAAMO CCn1c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc2ccccc21 ZINC000071871337 406857485 /nfs/dbraw/zinc/85/74/85/406857485.db2.gz KQWYCNQKILFMIC-AWEZNQCLSA-N 1 1 315.417 1.800 50 0 DDAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2ccncc2)CC1 ZINC000071920295 406868064 /nfs/dbraw/zinc/86/80/64/406868064.db2.gz PXAKAGVVUGXNFA-OAHLLOKOSA-N 1 1 319.453 1.154 50 0 DDAAMO CCc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000072269387 406877732 /nfs/dbraw/zinc/87/77/32/406877732.db2.gz 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406924242 /nfs/dbraw/zinc/92/42/42/406924242.db2.gz OXTNGJGAXVHSEI-ZJUUUORDSA-N 1 1 304.847 1.469 50 0 DDAAMO C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)[N@@H+]1CCc2sccc2C1 ZINC000029879783 406927900 /nfs/dbraw/zinc/92/79/00/406927900.db2.gz SPUCSYJYUGPKIB-JTQLQIEISA-N 1 1 318.402 1.420 50 0 DDAAMO C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)[N@H+]1CCc2sccc2C1 ZINC000029879783 406927901 /nfs/dbraw/zinc/92/79/01/406927901.db2.gz SPUCSYJYUGPKIB-JTQLQIEISA-N 1 1 318.402 1.420 50 0 DDAAMO C[N@H+]1CCN(Cc2cccc(OC(F)F)c2)C[C@@H]1CCO ZINC000032547736 406949112 /nfs/dbraw/zinc/94/91/12/406949112.db2.gz ANPXAOXBLQRFGT-ZDUSSCGKSA-N 1 1 300.349 1.786 50 0 DDAAMO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccco2)CN1C(=O)OC(C)(C)C ZINC000032919526 406956822 /nfs/dbraw/zinc/95/68/22/406956822.db2.gz KFDSNZFOZVHNMJ-AAEUAGOBSA-N 1 1 324.377 1.920 50 0 DDAAMO Cn1cnnc1SCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000077341225 406985697 /nfs/dbraw/zinc/98/56/97/406985697.db2.gz CTKQNPRUFMFMDW-UHFFFAOYSA-N 1 1 323.466 1.384 50 0 DDAAMO 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NC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000052960949 407160465 /nfs/dbraw/zinc/16/04/65/407160465.db2.gz KBJIZIJRRGGUQD-GFCCVEGCSA-N 1 1 319.409 1.134 50 0 DDAAMO CC[C@H](C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(CO)CC1 ZINC000089942739 407161104 /nfs/dbraw/zinc/16/11/04/407161104.db2.gz PBTITDZAJPTTBR-QWHCGFSZSA-N 1 1 308.426 1.885 50 0 DDAAMO CC(C)[N@@H+](C)CCCNC(=O)c1cn(C)nc1C(F)(F)F ZINC000053011409 407162016 /nfs/dbraw/zinc/16/20/16/407162016.db2.gz LNDBYHBXPPXNRB-UHFFFAOYSA-N 1 1 306.332 1.899 50 0 DDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000053274869 407166148 /nfs/dbraw/zinc/16/61/48/407166148.db2.gz ZHGBYNMFDXFEKH-LBPRGKRZSA-N 1 1 303.362 1.881 50 0 DDAAMO NC(=O)C[NH+]1CCC(c2ncnn2CCc2ccccc2)CC1 ZINC000095375941 407210539 /nfs/dbraw/zinc/21/05/39/407210539.db2.gz FAQCIYLZFCCEQX-UHFFFAOYSA-N 1 1 313.405 1.186 50 0 DDAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCSc1c[nH]nn1 ZINC000095383670 407212183 /nfs/dbraw/zinc/21/21/83/407212183.db2.gz 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/nfs/dbraw/zinc/26/23/27/407262327.db2.gz STDXUCWXQBJXPJ-UHFFFAOYSA-N 1 1 307.463 1.630 50 0 DDAAMO CCC[N@H+]1CCC[C@H](Nc2cc(N3CCOCC3)nc(N)n2)C1 ZINC000065507836 407244483 /nfs/dbraw/zinc/24/44/83/407244483.db2.gz HJZGPKZUMZIYJN-ZDUSSCGKSA-N 1 1 320.441 1.182 50 0 DDAAMO O=C([C@H]1CCOC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000066897549 407262797 /nfs/dbraw/zinc/26/27/97/407262797.db2.gz OUVGNHWKJBMSTO-HNNXBMFYSA-N 1 1 306.381 1.897 50 0 DDAAMO O=C([C@H]1CCOC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000066897549 407262799 /nfs/dbraw/zinc/26/27/99/407262799.db2.gz OUVGNHWKJBMSTO-HNNXBMFYSA-N 1 1 306.381 1.897 50 0 DDAAMO O=C(c1cc2ncccn2n1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000102544662 407324026 /nfs/dbraw/zinc/32/40/26/407324026.db2.gz INWPHTWACQVJSD-OAHLLOKOSA-N 1 1 307.357 1.516 50 0 DDAAMO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000096499711 407273208 /nfs/dbraw/zinc/27/32/08/407273208.db2.gz WEUTWINYIHZPFI-DZKIICNBSA-N 1 1 309.454 1.663 50 0 DDAAMO 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C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000257365838 418567844 /nfs/dbraw/zinc/56/78/44/418567844.db2.gz UINPYOUJKFKVEU-OLZOCXBDSA-N 1 1 300.366 1.165 50 0 DDAAMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000257365838 418567845 /nfs/dbraw/zinc/56/78/45/418567845.db2.gz UINPYOUJKFKVEU-OLZOCXBDSA-N 1 1 300.366 1.165 50 0 DDAAMO CN(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)C2)cc1 ZINC000216197532 418560136 /nfs/dbraw/zinc/56/01/36/418560136.db2.gz GZDVNZABBPQAHX-QGZVFWFLSA-N 1 1 316.449 1.215 50 0 DDAAMO Nc1nnc([C@H](NC(=O)C[NH+]2CCCC2)c2ccccc2)s1 ZINC000220196454 418561239 /nfs/dbraw/zinc/56/12/39/418561239.db2.gz XJGXSVUJKSCEPY-CYBMUJFWSA-N 1 1 317.418 1.422 50 0 DDAAMO Cc1[nH+]ccn1CCC(=O)N[C@H](CC(C)C)c1ncnn1C ZINC000223937525 418564886 /nfs/dbraw/zinc/56/48/86/418564886.db2.gz VFOTYBFKRBNISQ-CYBMUJFWSA-N 1 1 304.398 1.614 50 0 DDAAMO C[C@H](C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)n1cccn1 ZINC000239539266 222210928 /nfs/dbraw/zinc/21/09/28/222210928.db2.gz 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334312901 /nfs/dbraw/zinc/31/29/01/334312901.db2.gz IOHOALPAOPZIKU-INIZCTEOSA-N 1 1 307.357 1.461 50 0 DDAAMO CC[N@H+]1C[C@H](NC(=O)c2cc(Cl)ccc2NC)[C@@H](OC)C1 ZINC000534658104 334314686 /nfs/dbraw/zinc/31/46/86/334314686.db2.gz QHXQTEPDCLHUKR-KBPBESRZSA-N 1 1 311.813 1.831 50 0 DDAAMO Cc1ncn(C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(=O)c1C ZINC000097238476 337382605 /nfs/dbraw/zinc/38/26/05/337382605.db2.gz QHZCPTQUSAGWDG-QGZVFWFLSA-N 1 1 313.401 1.279 50 0 DDAAMO Cn1ncc2c1ncnc2N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000585092023 483921037 /nfs/dbraw/zinc/92/10/37/483921037.db2.gz BHLVPRJPFQLEQO-CHWSQXEVSA-N 1 1 316.409 1.275 50 0 DDAAMO Cc1nnc(CN(C)[C@@H]2CC[N@@H+](CCc3cccs3)C2)n1C ZINC000084291208 483993094 /nfs/dbraw/zinc/99/30/94/483993094.db2.gz QRXRGWFAYDYZBP-CQSZACIVSA-N 1 1 319.478 1.934 50 0 DDAAMO O=C(CCC[N@@H+]1C[C@H](O)[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000670455134 484841508 /nfs/dbraw/zinc/84/15/08/484841508.db2.gz ZDFHMKWYUZIPBR-WMZOPIPTSA-N 1 1 318.417 1.027 50 0 DDAAMO Cc1nc(NCC[N@H+]2CCC[C@@H](CO)C2)nc2c1CCCC2 ZINC000670466069 484846440 /nfs/dbraw/zinc/84/64/40/484846440.db2.gz LVHGAQVFIYKKCE-CQSZACIVSA-N 1 1 304.438 1.780 50 0 DDAAMO C[NH+]1CCC(N2CCN(Cc3cccs3)C[C@H]2CCO)CC1 ZINC000106695857 490595421 /nfs/dbraw/zinc/59/54/21/490595421.db2.gz QNVMLMCFIFWHSH-MRXNPFEDSA-N 1 1 323.506 1.711 50 0 DDAAMO COC(=O)CCCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000078599787 523001714 /nfs/dbraw/zinc/00/17/14/523001714.db2.gz NZOJRDNJAGBRFF-CQSZACIVSA-N 1 1 318.417 1.893 50 0 DDAAMO COC(=O)CCCCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000078599787 523001723 /nfs/dbraw/zinc/00/17/23/523001723.db2.gz NZOJRDNJAGBRFF-CQSZACIVSA-N 1 1 318.417 1.893 50 0 DDAAMO COC(=O)CCNC(=O)c1cc(Cn2cc[nH+]c2C(C)C)n[nH]1 ZINC000011663506 696047012 /nfs/dbraw/zinc/04/70/12/696047012.db2.gz NKLQRUBFDNTHDO-UHFFFAOYSA-N 1 1 319.365 1.071 50 0 DDAAMO C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000812331818 702156363 /nfs/dbraw/zinc/15/63/63/702156363.db2.gz 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/nfs/dbraw/zinc/74/89/23/759748923.db2.gz WCKDJAPIRRBUID-INIZCTEOSA-N 1 1 320.433 1.503 50 0 DDAAMO O=C(C1CC1)N1CC(c2noc([C@H]3CCC[N@H+]3CC3CC3)n2)C1 ZINC000581800935 761707600 /nfs/dbraw/zinc/70/76/00/761707600.db2.gz DYVLKUPKYZIVQC-CQSZACIVSA-N 1 1 316.405 1.952 50 0 DDAAMO CCCNC(=O)N1CC[C@@H](Cc2[nH+]cc(C)n2CCOC)C1 ZINC000581806530 761715966 /nfs/dbraw/zinc/71/59/66/761715966.db2.gz SEGIBNXXOULZKY-AWEZNQCLSA-N 1 1 308.426 1.822 50 0 DDAAMO Cc1cccc(C)c1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000585087801 771937513 /nfs/dbraw/zinc/93/75/13/771937513.db2.gz SBUNDJMOEBEZKC-KBPBESRZSA-N 1 1 317.389 1.216 50 0 DDAAMO Cc1cccc(C)c1C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000585087801 771937517 /nfs/dbraw/zinc/93/75/17/771937517.db2.gz SBUNDJMOEBEZKC-KBPBESRZSA-N 1 1 317.389 1.216 50 0 DDAAMO CCn1nnc2cc(C(=O)N3CC[NH2+]C[C@@H]3C(F)F)ccc21 ZINC000585088545 771938499 /nfs/dbraw/zinc/93/84/99/771938499.db2.gz LTGJQWGEIFOGGT-GFCCVEGCSA-N 1 1 309.320 1.130 50 0 DDAAMO 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Cc1nn(CC(C)C)c(N(C)C)c1C[NH2+]CCS(C)(=O)=O ZINC000075126447 406922544 /nfs/dbraw/zinc/92/25/44/406922544.db2.gz WAPWIEVUJJJVRN-UHFFFAOYSA-N 1 1 316.471 1.048 50 0 DDAAMO CCC[N@@H+](CCO)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000030529619 406932615 /nfs/dbraw/zinc/93/26/15/406932615.db2.gz DIYQVBFMZAYQNO-HNNXBMFYSA-N 1 1 310.394 1.089 50 0 DDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccnc1N1CCOCC1 ZINC000041975059 407010651 /nfs/dbraw/zinc/01/06/51/407010651.db2.gz MQXPFUYHSYPDCJ-AWEZNQCLSA-N 1 1 318.421 1.132 50 0 DDAAMO Cn1ccc(CN2CC[NH+](Cc3cccs3)CC2)cc1=O ZINC000042112670 407012065 /nfs/dbraw/zinc/01/20/65/407012065.db2.gz AQBBRDDHYWBVRS-UHFFFAOYSA-N 1 1 303.431 1.765 50 0 DDAAMO C[C@@H](CNC(=O)[C@H](C)n1cncn1)[N@H+]1CCc2ccccc2C1 ZINC000044909731 407033480 /nfs/dbraw/zinc/03/34/80/407033480.db2.gz GSDSXXKMQBROOR-KBPBESRZSA-N 1 1 313.405 1.402 50 0 DDAAMO COc1cccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000039975044 407001894 /nfs/dbraw/zinc/00/18/94/407001894.db2.gz SWXNQCSYSPGBJW-UHFFFAOYSA-N 1 1 324.446 1.944 50 0 DDAAMO CC(=O)Nc1nc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000048251512 407092659 /nfs/dbraw/zinc/09/26/59/407092659.db2.gz JONXPBZUTCMNKV-SNVBAGLBSA-N 1 1 308.407 1.316 50 0 DDAAMO Cc1ccn2cc(C(=O)NCCC[NH+]3CCN(C)CC3)nc2c1 ZINC000048326688 407094979 /nfs/dbraw/zinc/09/49/79/407094979.db2.gz LFWHOFOLRPSBLG-UHFFFAOYSA-N 1 1 315.421 1.010 50 0 DDAAMO C[NH+](C)[C@H](CNC(=O)N1CCC(CC(N)=O)CC1)c1ccco1 ZINC000089312223 407130769 /nfs/dbraw/zinc/13/07/69/407130769.db2.gz TZYVOUBBKKRNPI-CYBMUJFWSA-N 1 1 322.409 1.179 50 0 DDAAMO Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134386 407147467 /nfs/dbraw/zinc/14/74/67/407147467.db2.gz QYISAIYQIMOVTI-CYBMUJFWSA-N 1 1 315.439 1.585 50 0 DDAAMO C[C@H]1C[N@@H+](C)CCN1CC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000089938994 407161612 /nfs/dbraw/zinc/16/16/12/407161612.db2.gz CNCCDIYVTWNXGO-RDJZCZTQSA-N 1 1 315.461 1.859 50 0 DDAAMO CCCCOC(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000091706389 407183352 /nfs/dbraw/zinc/18/33/52/407183352.db2.gz IXEYXURGAAIIRO-MRXNPFEDSA-N 1 1 311.426 1.552 50 0 DDAAMO CC(=O)N1CCc2nc[nH]c2C12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000091872524 407184497 /nfs/dbraw/zinc/18/44/97/407184497.db2.gz WAOXDXRVIZTQBR-AWEZNQCLSA-N 1 1 318.421 1.142 50 0 DDAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCCn2c(C)cccc2=O)C1 ZINC000095371279 407209671 /nfs/dbraw/zinc/20/96/71/407209671.db2.gz HLWSFFXZECINOO-GOSISDBHSA-N 1 1 319.449 1.785 50 0 DDAAMO CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCCSC1 ZINC000095996608 407223204 /nfs/dbraw/zinc/22/32/04/407223204.db2.gz OHBSUZYBWIWWSG-CQSZACIVSA-N 1 1 314.499 1.161 50 0 DDAAMO CC[NH+]1CCN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)CC1 ZINC000096192677 407246719 /nfs/dbraw/zinc/24/67/19/407246719.db2.gz CEGLDWRRRRGTTN-KRWDZBQOSA-N 1 1 319.380 1.873 50 0 DDAAMO C[N@@H+](CCCNS(C)(=O)=O)CCOc1cccc(Cl)c1 ZINC000066411651 407249830 /nfs/dbraw/zinc/24/98/30/407249830.db2.gz YMMXLRTWJPDUQK-UHFFFAOYSA-N 1 1 320.842 1.590 50 0 DDAAMO CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)C1 ZINC000097047270 407276770 /nfs/dbraw/zinc/27/67/70/407276770.db2.gz KTJKWVFWUIYRTP-PMPSAXMXSA-N 1 1 311.470 1.911 50 0 DDAAMO Cc1ccc2c(c1)c(C(=O)NCC[C@@H]1C[N@H+](C)CCO1)nn2C ZINC000067605415 407277880 /nfs/dbraw/zinc/27/78/80/407277880.db2.gz XCNUNKKPCPMMDA-CYBMUJFWSA-N 1 1 316.405 1.332 50 0 DDAAMO Cc1ccc2c(c1)c(C(=O)NCC[C@@H]1C[N@@H+](C)CCO1)nn2C ZINC000067605415 407277883 /nfs/dbraw/zinc/27/78/83/407277883.db2.gz XCNUNKKPCPMMDA-CYBMUJFWSA-N 1 1 316.405 1.332 50 0 DDAAMO CCc1[nH+]ccn1CCC(=O)NCc1cccnc1-n1ccnc1 ZINC000067650463 407278216 /nfs/dbraw/zinc/27/82/16/407278216.db2.gz XOBKXKHDFQJBRM-UHFFFAOYSA-N 1 1 324.388 1.733 50 0 DDAAMO C/C=C(\C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N2CCCCCC2)C1 ZINC000067654638 407278529 /nfs/dbraw/zinc/27/85/29/407278529.db2.gz JWDPDKRCSVJNAJ-HZRBCOPISA-N 1 1 321.465 1.793 50 0 DDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000067675242 407279849 /nfs/dbraw/zinc/27/98/49/407279849.db2.gz ZHIFPQXVSKLEBY-AWEZNQCLSA-N 1 1 316.405 1.687 50 0 DDAAMO NC(=O)CC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000097106908 407280684 /nfs/dbraw/zinc/28/06/84/407280684.db2.gz NZLDHRTUQHXMPC-UHFFFAOYSA-N 1 1 314.176 1.539 50 0 DDAAMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)on1 ZINC000097141920 407282019 /nfs/dbraw/zinc/28/20/19/407282019.db2.gz DEILFULFLYSVKT-WFASDCNBSA-N 1 1 319.336 1.998 50 0 DDAAMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)on1 ZINC000097141920 407282020 /nfs/dbraw/zinc/28/20/20/407282020.db2.gz DEILFULFLYSVKT-WFASDCNBSA-N 1 1 319.336 1.998 50 0 DDAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1=NNC(=O)CC1 ZINC000067803523 407285612 /nfs/dbraw/zinc/28/56/12/407285612.db2.gz HVAMGCXDWCUJNF-UHFFFAOYSA-N 1 1 311.345 1.063 50 0 DDAAMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000097619167 407300428 /nfs/dbraw/zinc/30/04/28/407300428.db2.gz UBGAFTYQICYQOU-OAHLLOKOSA-N 1 1 324.446 1.902 50 0 DDAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000097619167 407300429 /nfs/dbraw/zinc/30/04/29/407300429.db2.gz UBGAFTYQICYQOU-OAHLLOKOSA-N 1 1 324.446 1.902 50 0 DDAAMO COc1c[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1=O ZINC000097805642 407303411 /nfs/dbraw/zinc/30/34/11/407303411.db2.gz JHGASNGLBUAFKU-NSHDSACASA-N 1 1 321.402 1.478 50 0 DDAAMO CC(C)[N@H+]1CCN(Cc2cccc(OCCO)c2)C[C@H]1CCO ZINC000104305188 407350838 /nfs/dbraw/zinc/35/08/38/407350838.db2.gz IOQGWFLTNYWKFR-QGZVFWFLSA-N 1 1 322.449 1.335 50 0 DDAAMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1C1CCCCC1)NCc1ccccn1 ZINC000107321412 407372865 /nfs/dbraw/zinc/37/28/65/407372865.db2.gz QOZFSZUUCHYSCK-IRXDYDNUSA-N 1 1 317.433 1.713 50 0 DDAAMO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000195558474 407468405 /nfs/dbraw/zinc/46/84/05/407468405.db2.gz YDPZPRYUPWDPJF-SWLSCSKDSA-N 1 1 314.426 1.770 50 0 DDAAMO Cn1nccc1C(=O)N1CC[C@@H]2C[N@H+](Cc3ccncc3)[C@@H]2C1 ZINC000257197097 407489822 /nfs/dbraw/zinc/48/98/22/407489822.db2.gz ZLCNZJHWRIKVCZ-GDBMZVCRSA-N 1 1 311.389 1.162 50 0 DDAAMO Cn1nccc1C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccncc3)[C@@H]2C1 ZINC000257197097 407489829 /nfs/dbraw/zinc/48/98/29/407489829.db2.gz ZLCNZJHWRIKVCZ-GDBMZVCRSA-N 1 1 311.389 1.162 50 0 DDAAMO Cc1cc(=O)n(CC[N@@H+](C)CC[C@@H](O)c2ccccc2)c(=O)[nH]1 ZINC000253537083 407453590 /nfs/dbraw/zinc/45/35/90/407453590.db2.gz WVIKNMGPYZOIKB-OAHLLOKOSA-N 1 1 317.389 1.313 50 0 DDAAMO Cc1cc(C)n([C@H]2CC[N@@H+](CCn3c(=O)cc(C)[nH]c3=O)C2)n1 ZINC000253536576 407454138 /nfs/dbraw/zinc/45/41/38/407454138.db2.gz IILJNJLZUZNNNP-AWEZNQCLSA-N 1 1 317.393 1.018 50 0 DDAAMO COc1cc(CCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)on1 ZINC000225417657 407583492 /nfs/dbraw/zinc/58/34/92/407583492.db2.gz XMDCTOKPJQLETG-UKRRQHHQSA-N 1 1 321.421 1.997 50 0 DDAAMO O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229384035 407662608 /nfs/dbraw/zinc/66/26/08/407662608.db2.gz IGNTZYXKZCLCPU-MNOVXSKESA-N 1 1 316.327 1.645 50 0 DDAAMO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000239882275 407906660 /nfs/dbraw/zinc/90/66/60/407906660.db2.gz DAWLINGTOBVJGQ-NTZNESFSSA-N 1 1 308.344 1.775 50 0 DDAAMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000239882275 407906666 /nfs/dbraw/zinc/90/66/66/407906666.db2.gz DAWLINGTOBVJGQ-NTZNESFSSA-N 1 1 308.344 1.775 50 0 DDAAMO COc1cccc(CS(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246626468 408307781 /nfs/dbraw/zinc/30/77/81/408307781.db2.gz CKHKQINNPXWILF-HIFRSBDPSA-N 1 1 324.446 1.694 50 0 DDAAMO CCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192237786 408564175 /nfs/dbraw/zinc/56/41/75/408564175.db2.gz LHDXNVPIDCKVMR-OAHLLOKOSA-N 1 1 312.435 1.217 50 0 DDAAMO C[C@@H](O)C(=O)N1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192713573 408635621 /nfs/dbraw/zinc/63/56/21/408635621.db2.gz RJTAEWJXGUISMT-CQSZACIVSA-N 1 1 308.447 1.445 50 0 DDAAMO COc1ccnc(N2CCC[N@H+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000252486044 408797167 /nfs/dbraw/zinc/79/71/67/408797167.db2.gz CSANPLXZWLRRBX-UONOGXRCSA-N 1 1 306.410 1.301 50 0 DDAAMO O=C1CCCN1[C@@H]1CCC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000252513295 408803902 /nfs/dbraw/zinc/80/39/02/408803902.db2.gz YBDMJDADSYGHAQ-HFTRVMKXSA-N 1 1 300.402 1.732 50 0 DDAAMO C[C@@]1(c2ccccc2)CN(C(=O)c2csc(C[NH3+])n2)CCO1 ZINC000237368063 163377160 /nfs/dbraw/zinc/37/71/60/163377160.db2.gz PPKUMSJPTNHHKR-INIZCTEOSA-N 1 1 317.414 1.990 50 0 DDAAMO CN(C)c1noc([C@H]2CCC[N@@H+](CCO[C@H]3CCCCO3)C2)n1 ZINC000338311286 409897074 /nfs/dbraw/zinc/89/70/74/409897074.db2.gz DNLIATZRMRRXPV-KBPBESRZSA-N 1 1 324.425 1.858 50 0 DDAAMO Cc1ncsc1CCNC(=O)CC[N@H+](C)[C@H]1CCN(C)C1 ZINC000299796111 410635784 /nfs/dbraw/zinc/63/57/84/410635784.db2.gz NGGNIVHGYYBQRR-ZDUSSCGKSA-N 1 1 310.467 1.136 50 0 DDAAMO Cc1ncsc1CCNC(=O)CCN(C)[C@H]1CC[N@H+](C)C1 ZINC000299796111 410635790 /nfs/dbraw/zinc/63/57/90/410635790.db2.gz NGGNIVHGYYBQRR-ZDUSSCGKSA-N 1 1 310.467 1.136 50 0 DDAAMO Cc1ncsc1CCNC(=O)CCN(C)[C@H]1CC[N@@H+](C)C1 ZINC000299796111 410635794 /nfs/dbraw/zinc/63/57/94/410635794.db2.gz NGGNIVHGYYBQRR-ZDUSSCGKSA-N 1 1 310.467 1.136 50 0 DDAAMO CNC(=O)c1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1 ZINC000299798450 410639276 /nfs/dbraw/zinc/63/92/76/410639276.db2.gz SHLATBSPVWDFLZ-SOLBZPMBSA-N 1 1 318.417 1.551 50 0 DDAAMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NC(=O)NC ZINC000088562036 287185497 /nfs/dbraw/zinc/18/54/97/287185497.db2.gz HHJYPENZKVQSPD-CYBMUJFWSA-N 1 1 304.394 1.173 50 0 DDAAMO CCc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n(C)n1 ZINC000132435874 196256400 /nfs/dbraw/zinc/25/64/00/196256400.db2.gz VKGKEAUBTTXKDS-ZDUSSCGKSA-N 1 1 321.425 1.169 50 0 DDAAMO CCc1sc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1C ZINC000048234669 418466639 /nfs/dbraw/zinc/46/66/39/418466639.db2.gz MHJMSZSINGTUAG-UHFFFAOYSA-N 1 1 309.435 1.298 50 0 DDAAMO c1cc(C[NH+]2CCN(c3ncnc4nc[nH]c43)CC2)cs1 ZINC000044915580 418432509 /nfs/dbraw/zinc/43/25/09/418432509.db2.gz QIGVZKCITZFYEV-UHFFFAOYSA-N 1 1 300.391 1.737 50 0 DDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000044997599 418436149 /nfs/dbraw/zinc/43/61/49/418436149.db2.gz WPXFCXMOYKZDTN-HIFRSBDPSA-N 1 1 307.438 1.378 50 0 DDAAMO O=C(C[N@H+](Cc1ccccc1)C1CC1)N[C@@H]1CCCCNC1=O ZINC000046054208 418444226 /nfs/dbraw/zinc/44/42/26/418444226.db2.gz DVNJSOFZPCZWGA-MRXNPFEDSA-N 1 1 315.417 1.436 50 0 DDAAMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)N[C@@H]1CCCCNC1=O ZINC000046054208 418444228 /nfs/dbraw/zinc/44/42/28/418444228.db2.gz DVNJSOFZPCZWGA-MRXNPFEDSA-N 1 1 315.417 1.436 50 0 DDAAMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000047902321 418462664 /nfs/dbraw/zinc/46/26/64/418462664.db2.gz GXPZKKQTIGSEIK-ZDUSSCGKSA-N 1 1 303.406 1.074 50 0 DDAAMO CC[C@H]1CN(Cc2nc3c(cccc3F)[nH]2)CC[N@H+]1C[C@H](C)O ZINC000107320784 418498397 /nfs/dbraw/zinc/49/83/97/418498397.db2.gz XLMHVTGJYRYODE-STQMWFEESA-N 1 1 320.412 1.979 50 0 DDAAMO COCCC[N@H+](CC(N)=O)Cc1cc(Br)cs1 ZINC000048276935 418468527 /nfs/dbraw/zinc/46/85/27/418468527.db2.gz MQKUCJMVONIQLG-UHFFFAOYSA-N 1 1 321.240 1.834 50 0 DDAAMO COCCC[N@@H+](CC(N)=O)Cc1cc(Br)cs1 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/nfs/dbraw/zinc/30/87/62/334308762.db2.gz XZVATJSJWMQKQL-LLVKDONJSA-N 1 1 307.398 1.258 50 0 DDAAMO C[C@@H](CCNC(=O)C1Cc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000534649233 334316688 /nfs/dbraw/zinc/31/66/88/334316688.db2.gz BREGJFBERBZSSD-HNNXBMFYSA-N 1 1 315.461 1.544 50 0 DDAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccccc1N1CCCC1 ZINC000534673805 334321371 /nfs/dbraw/zinc/32/13/71/334321371.db2.gz JHXRFYFPHAFVIA-HOCLYGCPSA-N 1 1 303.406 1.346 50 0 DDAAMO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCCCn2ccccc2=O)C1 ZINC000084544242 483997841 /nfs/dbraw/zinc/99/78/41/483997841.db2.gz HWQVKZUVVWFOJW-MRXNPFEDSA-N 1 1 319.449 1.723 50 0 DDAAMO Cc1nn(C)c(Cl)c1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000106869277 484024953 /nfs/dbraw/zinc/02/49/53/484024953.db2.gz HYKNQHVRCMNXCF-WDEREUQCSA-N 1 1 300.834 1.269 50 0 DDAAMO COc1cccc(F)c1CN1CCC(CO)(C[NH+](C)C)CC1 ZINC000670441079 484831254 /nfs/dbraw/zinc/83/12/54/484831254.db2.gz FMZYKVONARTTJN-UHFFFAOYSA-N 1 1 310.413 1.970 50 0 DDAAMO COc1cccc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c1F ZINC000670451988 484838501 /nfs/dbraw/zinc/83/85/01/484838501.db2.gz GKMOQWDQLBQZGA-GFCCVEGCSA-N 1 1 310.369 1.411 50 0 DDAAMO C[C@@H](CCC(=O)NC(C)(C)CN1CCN(C)CC1)[NH+]1CCCC1 ZINC000670467146 484846496 /nfs/dbraw/zinc/84/64/96/484846496.db2.gz LABCKZIRVHNUCR-INIZCTEOSA-N 1 1 324.513 1.393 50 0 DDAAMO COCC[C@@H]1CN(c2nc(N(C)C)[nH+]c3c2CCCC3)CCO1 ZINC000670469116 484848078 /nfs/dbraw/zinc/84/80/78/484848078.db2.gz SXFKPWVCMLYEEI-CYBMUJFWSA-N 1 1 320.437 1.663 50 0 DDAAMO Cc1[nH+]ccn1CC(=O)NCc1nncn1CCc1ccccc1 ZINC000670474352 484852425 /nfs/dbraw/zinc/85/24/25/484852425.db2.gz LSIRZQQFGOCBEQ-UHFFFAOYSA-N 1 1 324.388 1.342 50 0 DDAAMO Cn1ccnc1C[NH2+][C@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000012316627 696049089 /nfs/dbraw/zinc/04/90/89/696049089.db2.gz XTNAEYBIMQGEMH-INIZCTEOSA-N 1 1 312.417 1.743 50 0 DDAAMO CNc1cc[nH+]c(N2CCN(c3cccc(OC)c3)C(=O)C2)n1 ZINC000065384806 696345141 /nfs/dbraw/zinc/34/51/41/696345141.db2.gz HOBTYJSLROYBHF-UHFFFAOYSA-N 1 1 313.361 1.380 50 0 DDAAMO Cc1ccn2ncc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)c2n1 ZINC000068764295 696375982 /nfs/dbraw/zinc/37/59/82/696375982.db2.gz WBTPERRSPLKSHX-AWEZNQCLSA-N 1 1 315.421 1.888 50 0 DDAAMO CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1nc(N)cc[nH+]1)CC2 ZINC000072429302 696394093 /nfs/dbraw/zinc/39/40/93/696394093.db2.gz CDIMOHAHNHJNCC-GFCCVEGCSA-N 1 1 319.409 1.214 50 0 DDAAMO CCC[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1nc(N)cc[nH+]1)CC2 ZINC000072429302 696394096 /nfs/dbraw/zinc/39/40/96/696394096.db2.gz CDIMOHAHNHJNCC-GFCCVEGCSA-N 1 1 319.409 1.214 50 0 DDAAMO C[C@@H]1C[N@@H+](Cc2cccnc2N)CC[C@@]1(O)C1CCOCC1 ZINC000091433892 696588207 /nfs/dbraw/zinc/58/82/07/696588207.db2.gz FFOPUIOTZHEFLG-DYVFJYSZSA-N 1 1 305.422 1.663 50 0 DDAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC000194639511 697716903 /nfs/dbraw/zinc/71/69/03/697716903.db2.gz HTAPDHQWQLGSOK-AWEZNQCLSA-N 1 1 302.422 1.753 50 0 DDAAMO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000320489678 698720168 /nfs/dbraw/zinc/72/01/68/698720168.db2.gz NOTFXYOWPWJEHA-NHYWBVRUSA-N 1 1 308.401 1.761 50 0 DDAAMO C[C@H]1[C@@H](N(C)C)CC[N@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000320489678 698720171 /nfs/dbraw/zinc/72/01/71/698720171.db2.gz NOTFXYOWPWJEHA-NHYWBVRUSA-N 1 1 308.401 1.761 50 0 DDAAMO C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC000864094282 706066090 /nfs/dbraw/zinc/06/60/90/706066090.db2.gz OTPYVEFKLIXWJR-HOCLYGCPSA-N 1 1 315.417 1.881 50 0 DDAAMO C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC000864094282 706066093 /nfs/dbraw/zinc/06/60/93/706066093.db2.gz OTPYVEFKLIXWJR-HOCLYGCPSA-N 1 1 315.417 1.881 50 0 DDAAMO