smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000408629339 557555744 /nfs/dbraw/zinc/55/57/44/557555744.db2.gz XQELLAQXCHKYJX-UHFFFAOYSA-N 1 1 401.938 4.379 40 0 HIABMO C[C@@H]1CCCC[N@H+]1[C@H](C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000036748646 557852190 /nfs/dbraw/zinc/85/21/90/557852190.db2.gz WOSNLWWKJPNUKB-LEOXJPRUSA-N 1 1 420.532 4.381 40 0 HIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753152 558272227 /nfs/dbraw/zinc/27/22/27/558272227.db2.gz SYHOZNMPBNNDEE-QGZVFWFLSA-N 1 1 407.905 4.075 40 0 HIABMO C[C@H](O)C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)Cc1ccc2c(c1)OCO2 ZINC000012118148 558329557 /nfs/dbraw/zinc/32/95/57/558329557.db2.gz FJIJVYRYWBKNMS-SFHVURJKSA-N 1 1 415.493 4.137 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccc3ncccc3c2)C[C@H]2CCCO2)c(OC)c1OC ZINC000012118231 558329607 /nfs/dbraw/zinc/32/96/07/558329607.db2.gz NWJBCWGXDAOGMP-OAQYLSRUSA-N 1 1 422.525 4.442 40 0 HIABMO Cc1cnccc1C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000012144164 558335854 /nfs/dbraw/zinc/33/58/54/558335854.db2.gz OWBNLLYCWDXTJB-QUCCMNQESA-N 1 1 403.448 4.145 40 0 HIABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000012157759 558340694 /nfs/dbraw/zinc/34/06/94/558340694.db2.gz URKBOLXWLCKLDB-YLJYHZDGSA-N 1 1 410.518 4.061 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000012222146 558356162 /nfs/dbraw/zinc/35/61/62/558356162.db2.gz KPLVDPJQIYQJBD-DEOSSOPVSA-N 1 1 423.488 4.264 40 0 HIABMO COCc1ccc(OC)c(C[N@@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1 ZINC000012241260 558360329 /nfs/dbraw/zinc/36/03/29/558360329.db2.gz CPLFSNCXKDKHQK-UHFFFAOYSA-N 1 1 400.425 4.333 40 0 HIABMO COCc1ccc(OC)c(C[N@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1 ZINC000012241260 558360333 /nfs/dbraw/zinc/36/03/33/558360333.db2.gz CPLFSNCXKDKHQK-UHFFFAOYSA-N 1 1 400.425 4.333 40 0 HIABMO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020456344 558370034 /nfs/dbraw/zinc/37/00/34/558370034.db2.gz QVZOHYHVJDUFOT-LJQANCHMSA-N 1 1 402.542 4.343 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)C1 ZINC000020492798 558378687 /nfs/dbraw/zinc/37/86/87/558378687.db2.gz SUCALXGJYSUDKI-OYRHEFFESA-N 1 1 405.586 4.347 40 0 HIABMO O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023958292 558582826 /nfs/dbraw/zinc/58/28/26/558582826.db2.gz XDROATJTOUIWMV-UHFFFAOYSA-N 1 1 414.549 4.357 40 0 HIABMO COc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1OC ZINC000039757153 558687820 /nfs/dbraw/zinc/68/78/20/558687820.db2.gz GLIXVELCBFDCFL-UHFFFAOYSA-N 1 1 406.885 4.347 40 0 HIABMO O=C(CCCSc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217442 558833832 /nfs/dbraw/zinc/83/38/32/558833832.db2.gz ZCOVCWZDJRQZOB-UHFFFAOYSA-N 1 1 418.990 4.361 40 0 HIABMO O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019014826 558836980 /nfs/dbraw/zinc/83/69/80/558836980.db2.gz RKILYBBUVGMIPN-AVRDEDQJSA-N 1 1 424.589 4.140 40 0 HIABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019082024 558839991 /nfs/dbraw/zinc/83/99/91/558839991.db2.gz LWRUSKXJVJOYFE-NRFANRHFSA-N 1 1 401.501 4.475 40 0 HIABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000019219865 558851426 /nfs/dbraw/zinc/85/14/26/558851426.db2.gz HQTGLNRTQOSLBI-KRWDZBQOSA-N 1 1 401.432 4.388 40 0 HIABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000019334038 558869152 /nfs/dbraw/zinc/86/91/52/558869152.db2.gz HKAKAVPTLBPWFO-GOSISDBHSA-N 1 1 410.905 4.033 40 0 HIABMO O=C(c1cccnc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019337822 558870658 /nfs/dbraw/zinc/87/06/58/558870658.db2.gz ADCCVNXTBVKDEZ-DNVJHFABSA-N 1 1 421.541 4.413 40 0 HIABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]21 ZINC000019347728 558873964 /nfs/dbraw/zinc/87/39/64/558873964.db2.gz FOEGSRBYSZIPGM-MQSCRBSSSA-N 1 1 421.541 4.413 40 0 HIABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000019348755 558874582 /nfs/dbraw/zinc/87/45/82/558874582.db2.gz CLYWGEXLJVYZOP-XZQOPNAISA-N 1 1 415.537 4.175 40 0 HIABMO O=C(NCC[N@H+](Cc1ccccn1)Cc1cccc2ncccc12)c1cccs1 ZINC000057797326 558890447 /nfs/dbraw/zinc/89/04/47/558890447.db2.gz QUPJEZZICQAUGJ-UHFFFAOYSA-N 1 1 402.523 4.124 40 0 HIABMO O=C(NCC[N@@H+](Cc1ccccn1)Cc1cccc2ncccc12)c1cccs1 ZINC000057797326 558890448 /nfs/dbraw/zinc/89/04/48/558890448.db2.gz QUPJEZZICQAUGJ-UHFFFAOYSA-N 1 1 402.523 4.124 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503061 558900360 /nfs/dbraw/zinc/90/03/60/558900360.db2.gz BPLPOQFEHLEACS-VWLOTQADSA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503350 558900567 /nfs/dbraw/zinc/90/05/67/558900567.db2.gz BZBSJFQUYIISBF-XMMPIXPASA-N 1 1 414.553 4.057 40 0 HIABMO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@@H+](Cc4ccc(OC)cc4)C3)cc2n1 ZINC000019522426 558903746 /nfs/dbraw/zinc/90/37/46/558903746.db2.gz ZSHOCIIYCPIRMS-HNNXBMFYSA-N 1 1 404.436 4.309 40 0 HIABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019529171 558910873 /nfs/dbraw/zinc/91/08/73/558910873.db2.gz PZXNIIACPUKVFV-DEOSSOPVSA-N 1 1 405.567 4.381 40 0 HIABMO COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000019557718 558919612 /nfs/dbraw/zinc/91/96/12/558919612.db2.gz XAJKOBGTGGVKGG-WXFUMESZSA-N 1 1 408.517 4.061 40 0 HIABMO COc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1OC ZINC000019560732 558921731 /nfs/dbraw/zinc/92/17/31/558921731.db2.gz IFMNAPNRTGARKN-XZOQPEGZSA-N 1 1 422.500 4.423 40 0 HIABMO O=C(CCCSc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000058458976 558928006 /nfs/dbraw/zinc/92/80/06/558928006.db2.gz VSZBYGNODXJSHN-UHFFFAOYSA-N 1 1 418.990 4.361 40 0 HIABMO COc1ccccc1-c1ccc(C[C@]2(C(N)=O)CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000019571653 558930128 /nfs/dbraw/zinc/93/01/28/558930128.db2.gz HMVYHJKXZWGBSQ-HHHXNRCGSA-N 1 1 414.549 4.325 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019579594 558935118 /nfs/dbraw/zinc/93/51/18/558935118.db2.gz XXSVRNJKODEGET-AREMUKBSSA-N 1 1 414.553 4.057 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019580350 558936103 /nfs/dbraw/zinc/93/61/03/558936103.db2.gz SUTFSIPGUQCCQL-AREMUKBSSA-N 1 1 417.528 4.411 40 0 HIABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019591305 558941709 /nfs/dbraw/zinc/94/17/09/558941709.db2.gz UFIUYUOBIPGWLD-SANMLTNESA-N 1 1 417.528 4.459 40 0 HIABMO COC(=O)c1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019592536 558943501 /nfs/dbraw/zinc/94/35/01/558943501.db2.gz ZGYQTDBLJNDQHI-BJKOFHAPSA-N 1 1 420.484 4.192 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000072352555 558948956 /nfs/dbraw/zinc/94/89/56/558948956.db2.gz UDKLTARYQNUDTC-INIZCTEOSA-N 1 1 402.523 4.194 40 0 HIABMO O=C(C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)NC1CCCCC1 ZINC000072359413 558954990 /nfs/dbraw/zinc/95/49/90/558954990.db2.gz UQTUSWRUUWYOTL-GOSISDBHSA-N 1 1 412.965 4.425 40 0 HIABMO O=C(C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)NC1CCCCC1 ZINC000072359413 558954991 /nfs/dbraw/zinc/95/49/91/558954991.db2.gz UQTUSWRUUWYOTL-GOSISDBHSA-N 1 1 412.965 4.425 40 0 HIABMO Cn1ccnc1C[NH+]1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359738 558955358 /nfs/dbraw/zinc/95/53/58/558955358.db2.gz QZSOGQMMTPQLQT-UHFFFAOYSA-N 1 1 401.436 4.276 40 0 HIABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000019687609 558957349 /nfs/dbraw/zinc/95/73/49/558957349.db2.gz GHBDAWVHPCGSST-OAQYLSRUSA-N 1 1 421.589 4.068 40 0 HIABMO Cc1nc2ccccn2c1C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000072371711 558958705 /nfs/dbraw/zinc/95/87/05/558958705.db2.gz NZLMFUGFKGKPFD-SFHVURJKSA-N 1 1 419.504 4.116 40 0 HIABMO Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000072371711 558958707 /nfs/dbraw/zinc/95/87/07/558958707.db2.gz NZLMFUGFKGKPFD-SFHVURJKSA-N 1 1 419.504 4.116 40 0 HIABMO Cc1nc2ccccn2c1C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000072371711 558958709 /nfs/dbraw/zinc/95/87/09/558958709.db2.gz NZLMFUGFKGKPFD-SFHVURJKSA-N 1 1 419.504 4.116 40 0 HIABMO COc1cc(C)ccc1C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000072371719 558958828 /nfs/dbraw/zinc/95/88/28/558958828.db2.gz UCTXCYZHHAPMFI-SFHVURJKSA-N 1 1 409.505 4.477 40 0 HIABMO COc1cc(C)ccc1C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000072371719 558958830 /nfs/dbraw/zinc/95/88/30/558958830.db2.gz UCTXCYZHHAPMFI-SFHVURJKSA-N 1 1 409.505 4.477 40 0 HIABMO COc1cc(C)ccc1C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000072371719 558958833 /nfs/dbraw/zinc/95/88/33/558958833.db2.gz UCTXCYZHHAPMFI-SFHVURJKSA-N 1 1 409.505 4.477 40 0 HIABMO Cc1cnc(NC(=O)C2(Cc3cccc([C@H]4CCC[N@H+](C)C4)c3)CCOCC2)s1 ZINC000072372242 558959527 /nfs/dbraw/zinc/95/95/27/558959527.db2.gz IICZVUDGNVFSDL-FQEVSTJZSA-N 1 1 413.587 4.239 40 0 HIABMO CNc1cc(C(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)ccn1 ZINC000072372616 558960388 /nfs/dbraw/zinc/96/03/88/558960388.db2.gz MGTQCICPCHDGOJ-SFHVURJKSA-N 1 1 408.531 4.313 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000019694253 558962564 /nfs/dbraw/zinc/96/25/64/558962564.db2.gz SKSZINHONIQRGI-LJQANCHMSA-N 1 1 424.980 4.459 40 0 HIABMO Cc1c(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cnn1C ZINC000019694322 558962758 /nfs/dbraw/zinc/96/27/58/558962758.db2.gz MIUOITCAQYNRTG-OAQYLSRUSA-N 1 1 408.525 4.118 40 0 HIABMO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cn1 ZINC000019694631 558963389 /nfs/dbraw/zinc/96/33/89/558963389.db2.gz LYCOJLVQYHNQEK-OAQYLSRUSA-N 1 1 408.525 4.292 40 0 HIABMO CCn1cc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cn1 ZINC000019694631 558963392 /nfs/dbraw/zinc/96/33/92/558963392.db2.gz LYCOJLVQYHNQEK-OAQYLSRUSA-N 1 1 408.525 4.292 40 0 HIABMO CCn1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)c2cc(OC)ccc21 ZINC000072392564 558972210 /nfs/dbraw/zinc/97/22/10/558972210.db2.gz XQSAUZRLBCUNOM-FKRCVWNDSA-N 1 1 405.542 4.103 40 0 HIABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393273 558972653 /nfs/dbraw/zinc/97/26/53/558972653.db2.gz XCPGWFDZGAVLEQ-LJQANCHMSA-N 1 1 415.541 4.224 40 0 HIABMO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072395950 558974994 /nfs/dbraw/zinc/97/49/94/558974994.db2.gz IUVLBXXSUKXGPM-VWLOTQADSA-N 1 1 418.541 4.006 40 0 HIABMO COc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CC[C@@H]32)c1 ZINC000585108012 559029671 /nfs/dbraw/zinc/02/96/71/559029671.db2.gz VQXUBBLJQLLBSV-IITNATTFSA-N 1 1 410.945 4.185 40 0 HIABMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)C1 ZINC000585260808 559108621 /nfs/dbraw/zinc/10/86/21/559108621.db2.gz URJGRFAQFPBWBE-NHCUHLMSSA-N 1 1 416.949 4.322 40 0 HIABMO c1c(CCOc2ccccc2)n[nH]c1[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000585260964 559110038 /nfs/dbraw/zinc/11/00/38/559110038.db2.gz PVQVHDLEEQGYHG-RUZDIDTESA-N 1 1 414.509 4.153 40 0 HIABMO c1c(CCOc2ccccc2)n[nH]c1[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000585260964 559110040 /nfs/dbraw/zinc/11/00/40/559110040.db2.gz PVQVHDLEEQGYHG-RUZDIDTESA-N 1 1 414.509 4.153 40 0 HIABMO OCC[N@H+]1CCC[C@H]1CCc1ccc(Nc2ncc(-c3ccc(F)cc3)s2)nc1 ZINC000585262794 559111405 /nfs/dbraw/zinc/11/14/05/559111405.db2.gz GSYCACFIJVQXJE-IBGZPJMESA-N 1 1 412.534 4.477 40 0 HIABMO Cc1noc(C)c1C[N@H+]1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585288993 559122416 /nfs/dbraw/zinc/12/24/16/559122416.db2.gz BTUAIDJGGLEZIM-AWEZNQCLSA-N 1 1 407.396 4.135 40 0 HIABMO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216452 559169534 /nfs/dbraw/zinc/16/95/34/559169534.db2.gz ZDKVISBVOQSMBQ-JOCHJYFZSA-N 1 1 422.573 4.476 40 0 HIABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000257259480 559284742 /nfs/dbraw/zinc/28/47/42/559284742.db2.gz KYPFUPKLWUOEKT-QHCPKHFHSA-N 1 1 400.494 4.234 40 0 HIABMO C[C@@]1(O)CC[N@H+](Cc2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289977 560031129 /nfs/dbraw/zinc/03/11/29/560031129.db2.gz RZTSCDOLXJHZSD-SONWIMMPSA-N 1 1 410.533 4.199 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@@H+](Cc2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289977 560031131 /nfs/dbraw/zinc/03/11/31/560031131.db2.gz RZTSCDOLXJHZSD-SONWIMMPSA-N 1 1 410.533 4.199 40 0 biogenic,in-vitro HIABMO FC(F)(F)Oc1ccc(C[NH2+]C2(Cc3cc(-c4ccccc4)on3)COC2)cc1 ZINC000072321924 560076476 /nfs/dbraw/zinc/07/64/76/560076476.db2.gz GPXGRHJYYCLUAS-UHFFFAOYSA-N 1 1 404.388 4.342 40 0 biogenic,in-vitro HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012711947 560786260 /nfs/dbraw/zinc/78/62/60/560786260.db2.gz UXDRRDKIULXXGO-QVKFZJNVSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012711947 560786262 /nfs/dbraw/zinc/78/62/62/560786262.db2.gz UXDRRDKIULXXGO-QVKFZJNVSA-N 1 1 422.577 4.098 40 0 HIABMO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000005219645 568442730 /nfs/dbraw/zinc/44/27/30/568442730.db2.gz CUOHIKCCHYWTHC-XMHCIUCPSA-N 1 1 417.937 4.447 40 0 HIABMO Cc1cccc(-c2noc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)n2)c1 ZINC000219239975 568488310 /nfs/dbraw/zinc/48/83/10/568488310.db2.gz XOJJGVYXTKYZPY-SFHVURJKSA-N 1 1 404.514 4.207 40 0 HIABMO Cc1ccccc1-c1ccc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000022931515 568500826 /nfs/dbraw/zinc/50/08/26/568500826.db2.gz YQKHTCQWTQCCLD-UHFFFAOYSA-N 1 1 401.554 4.391 40 0 HIABMO Cc1ccccc1-c1ccc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000022931515 568500827 /nfs/dbraw/zinc/50/08/27/568500827.db2.gz YQKHTCQWTQCCLD-UHFFFAOYSA-N 1 1 401.554 4.391 40 0 HIABMO CC(C)n1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCCN(Cc2ccco2)C1 ZINC000026441115 568549484 /nfs/dbraw/zinc/54/94/84/568549484.db2.gz MUMLWARRVKLVNK-GOSISDBHSA-N 1 1 403.596 4.020 40 0 HIABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc2c(ccc3ccccc23)o1 ZINC000224725198 568593567 /nfs/dbraw/zinc/59/35/67/568593567.db2.gz AALOKPOXDLXSKJ-UHFFFAOYSA-N 1 1 400.478 4.348 40 0 HIABMO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224752765 568595346 /nfs/dbraw/zinc/59/53/46/568595346.db2.gz QBGWUYBVYGLEML-FQEVSTJZSA-N 1 1 410.558 4.034 40 0 HIABMO O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000225014505 568609304 /nfs/dbraw/zinc/60/93/04/568609304.db2.gz XTIBFOSWWLRXRO-IBGZPJMESA-N 1 1 413.949 4.027 40 0 HIABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225458677 568639982 /nfs/dbraw/zinc/63/99/82/568639982.db2.gz BPFQEHHWEMVKIJ-UHFFFAOYSA-N 1 1 419.554 4.103 40 0 HIABMO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225582465 568654071 /nfs/dbraw/zinc/65/40/71/568654071.db2.gz PWFIAQATBHUSBT-UHFFFAOYSA-N 1 1 404.913 4.406 40 0 HIABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](Cc3ccncc3)[C@H]1CCCC(=O)N2 ZINC000257205163 568777688 /nfs/dbraw/zinc/77/76/88/568777688.db2.gz AXXIKHFKLXSGPB-ZJOUEHCJSA-N 1 1 403.448 4.475 40 0 HIABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](Cc3ccncc3)[C@H]1CCCC(=O)N2 ZINC000257205163 568777691 /nfs/dbraw/zinc/77/76/91/568777691.db2.gz AXXIKHFKLXSGPB-ZJOUEHCJSA-N 1 1 403.448 4.475 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257207534 568778364 /nfs/dbraw/zinc/77/83/64/568778364.db2.gz BIEVNTAANJVVFP-QGZVFWFLSA-N 1 1 412.921 4.084 40 0 HIABMO O=C1CO[C@@]2(CN1c1ccc(F)cc1)CCC[N@@H+](Cc1ccnc3ccccc13)CC2 ZINC000257226886 568783979 /nfs/dbraw/zinc/78/39/79/568783979.db2.gz FMPOMBVBNVEVQM-VWLOTQADSA-N 1 1 419.500 4.162 40 0 HIABMO Cc1nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc(C)c1CC(=O)N(C)C ZINC000257231569 568785412 /nfs/dbraw/zinc/78/54/12/568785412.db2.gz GHGXEAMXUPOTOY-INIZCTEOSA-N 1 1 421.372 4.020 40 0 HIABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc(C)c1CC(=O)N(C)C ZINC000257231569 568785413 /nfs/dbraw/zinc/78/54/13/568785413.db2.gz GHGXEAMXUPOTOY-INIZCTEOSA-N 1 1 421.372 4.020 40 0 HIABMO O=C1CCCC[C@]2(C[N@H+](Cc3ccnc4ccccc34)C[C@H]2c2cccc(F)c2)N1 ZINC000257267459 568794953 /nfs/dbraw/zinc/79/49/53/568794953.db2.gz MHKQOZQWGOQLQS-WIOPSUGQSA-N 1 1 403.501 4.402 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257288633 568800991 /nfs/dbraw/zinc/80/09/91/568800991.db2.gz PVAWNZGRMXWOBZ-HSZRJFAPSA-N 1 1 420.601 4.071 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257288634 568801028 /nfs/dbraw/zinc/80/10/28/568801028.db2.gz PVAWNZGRMXWOBZ-QHCPKHFHSA-N 1 1 420.601 4.071 40 0 HIABMO CNc1cc([C@]2(C)CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)nc(C)n1 ZINC000257289891 568801425 /nfs/dbraw/zinc/80/14/25/568801425.db2.gz QAPYUMUCUXCAGA-RUZDIDTESA-N 1 1 417.557 4.354 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257314942 568808794 /nfs/dbraw/zinc/80/87/94/568808794.db2.gz UZFMGQHGVXLIIP-QGZVFWFLSA-N 1 1 412.921 4.084 40 0 HIABMO CC(=O)N1CCCCC[C@@H]2[N@@H+](CC(=O)Nc3ccccn3)[C@H](c3ccccc3)C[C@@]21C ZINC000257328554 568812625 /nfs/dbraw/zinc/81/26/25/568812625.db2.gz XGEBFJZNNSTXJD-HWBMXIPRSA-N 1 1 420.557 4.017 40 0 HIABMO O=C(CN1CCC(c2cc(Nc3ccccn3)cc[nH+]2)CC1)Nc1ccccc1F ZINC000257330307 568813283 /nfs/dbraw/zinc/81/32/83/568813283.db2.gz XNUKYMVUJPAMHW-UHFFFAOYSA-N 1 1 405.477 4.177 40 0 HIABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)CC1 ZINC000257339097 568815820 /nfs/dbraw/zinc/81/58/20/568815820.db2.gz ZAESWWJHYDFUCC-LJQANCHMSA-N 1 1 410.537 4.463 40 0 HIABMO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccs1)CC21CCN(c2ncccn2)CC1 ZINC000306132821 568895016 /nfs/dbraw/zinc/89/50/16/568895016.db2.gz LTCRHHJJONZTRL-UHFFFAOYSA-N 1 1 422.602 4.178 40 0 HIABMO CCc1ccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306137427 568899430 /nfs/dbraw/zinc/89/94/30/568899430.db2.gz QVZMBQOTZORGJX-OZXSUGGESA-N 1 1 420.601 4.255 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000306144625 568906014 /nfs/dbraw/zinc/90/60/14/568906014.db2.gz ZKJFJXVTUWJDOA-RCZVLFRGSA-N 1 1 424.589 4.089 40 0 HIABMO COc1ccc2c(ccn2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)c1 ZINC000257199102 569059038 /nfs/dbraw/zinc/05/90/38/569059038.db2.gz SFHCSZLHAMASRL-PLVHLFARSA-N 1 1 419.569 4.072 40 0 HIABMO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009062659 569342123 /nfs/dbraw/zinc/34/21/23/569342123.db2.gz KDTLMNCNCGCWME-QFIPXVFZSA-N 1 1 406.014 4.323 40 0 HIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009062659 569342124 /nfs/dbraw/zinc/34/21/24/569342124.db2.gz KDTLMNCNCGCWME-QFIPXVFZSA-N 1 1 406.014 4.323 40 0 HIABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1C ZINC000009063708 569342513 /nfs/dbraw/zinc/34/25/13/569342513.db2.gz BFRYEPGTOIUKLY-UHFFFAOYSA-N 1 1 418.896 4.425 40 0 HIABMO COc1ccc(CC[N@@H+]2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1 ZINC000019692863 569346270 /nfs/dbraw/zinc/34/62/70/569346270.db2.gz CVYUVQWQKHBVLZ-VWLOTQADSA-N 1 1 406.501 4.436 40 0 HIABMO COc1ccc(CC[N@H+]2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1 ZINC000019692863 569346271 /nfs/dbraw/zinc/34/62/71/569346271.db2.gz CVYUVQWQKHBVLZ-VWLOTQADSA-N 1 1 406.501 4.436 40 0 HIABMO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CC[N@H+](C5CCCC5)C4)nc32)c1 ZINC000019696161 569346742 /nfs/dbraw/zinc/34/67/42/569346742.db2.gz FSLYTSBXPGGNLX-NRFANRHFSA-N 1 1 418.585 4.347 40 0 HIABMO C[NH+](C)CCNc1nc(NNc2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1 ZINC000329028540 571304628 /nfs/dbraw/zinc/30/46/28/571304628.db2.gz PVLXFYAHBKAHGZ-UHFFFAOYSA-N 1 1 417.344 4.863 40 0 HIABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](Cc2ccccc2)C3)cc1 ZINC000096111872 291266363 /nfs/dbraw/zinc/26/63/63/291266363.db2.gz JRBCURPXLZXXEF-UPVQGACJSA-N 1 1 414.505 4.264 40 0 biogenic,in-vitro HIABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000096111872 291266365 /nfs/dbraw/zinc/26/63/65/291266365.db2.gz JRBCURPXLZXXEF-UPVQGACJSA-N 1 1 414.505 4.264 40 0 biogenic,in-vitro HIABMO COc1cc(CC[N@H+]2CCN(c3ccc(Cl)cc3)[C@H](C)C2)cc(OC)c1OC ZINC000005336086 132305043 /nfs/dbraw/zinc/30/50/43/132305043.db2.gz NHFOXPNGAVHDLK-MRXNPFEDSA-N 1 1 404.938 4.119 40 0 HIABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2Cl)CC1 ZINC000006241855 132309812 /nfs/dbraw/zinc/30/98/12/132309812.db2.gz AJXDSQSIZBIKJA-UHFFFAOYSA-N 1 1 401.938 4.116 40 0 HIABMO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225703793 520317768 /nfs/dbraw/zinc/31/77/68/520317768.db2.gz RYYOKNUBJIHWLS-QHCPKHFHSA-N 1 1 406.567 4.102 40 0 HIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2)C1 ZINC000044786669 524232987 /nfs/dbraw/zinc/23/29/87/524232987.db2.gz NWWVOLSHPXKBCD-LJQANCHMSA-N 1 1 405.542 4.407 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019765413 527045299 /nfs/dbraw/zinc/04/52/99/527045299.db2.gz CSRRODGIYIYPCM-OAQYLSRUSA-N 1 1 418.516 4.234 40 0 HIABMO Nc1ncnc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743014 558263325 /nfs/dbraw/zinc/26/33/25/558263325.db2.gz GOILXKRMXSFIHB-ZDUSSCGKSA-N 1 1 405.399 4.145 40 0 HIABMO CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2cccnc2)CC1 ZINC000012132460 558333000 /nfs/dbraw/zinc/33/30/00/558333000.db2.gz WZMOJHHWTUYSJY-UHFFFAOYSA-N 1 1 405.498 4.125 40 0 HIABMO COc1ccc(-c2ccccc2)cc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](C)O ZINC000012185722 558345150 /nfs/dbraw/zinc/34/51/50/558345150.db2.gz NWAUCLUEDNTRAF-SFHVURJKSA-N 1 1 405.494 4.474 40 0 HIABMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@@H+](CCOc3ccccc3)[C@H]2C1 ZINC000012188363 558347135 /nfs/dbraw/zinc/34/71/35/558347135.db2.gz LRKQVPLPPNQCAQ-NQIIRXRSSA-N 1 1 418.459 4.321 40 0 HIABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000020455891 558369561 /nfs/dbraw/zinc/36/95/61/558369561.db2.gz ISHCXBLPNKKOCX-UHFFFAOYSA-N 1 1 410.326 4.107 40 0 HIABMO CCOc1ccccc1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000035291772 558789510 /nfs/dbraw/zinc/78/95/10/558789510.db2.gz YDVQNGQLEIURCU-UHFFFAOYSA-N 1 1 412.921 4.433 40 0 HIABMO C[C@H](C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000036734676 558801146 /nfs/dbraw/zinc/80/11/46/558801146.db2.gz CEINOHUHQWQGIA-CTNGQTDRSA-N 1 1 416.573 4.450 40 0 HIABMO COc1ccc2nc(Cl)c(C[NH2+]Cc3cccc(F)c3)c(N3CCOCC3)c2c1 ZINC000036740441 558801624 /nfs/dbraw/zinc/80/16/24/558801624.db2.gz KBQWMSNUWTYFLZ-UHFFFAOYSA-N 1 1 415.896 4.162 40 0 HIABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834458 558817666 /nfs/dbraw/zinc/81/76/66/558817666.db2.gz GXALRWRDGPAHEZ-GOSISDBHSA-N 1 1 400.906 4.367 40 0 HIABMO O=C([C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038857301 558819369 /nfs/dbraw/zinc/81/93/69/558819369.db2.gz WDIKLVVJRCANMU-IBGZPJMESA-N 1 1 415.940 4.040 40 0 HIABMO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1C ZINC000038858125 558819597 /nfs/dbraw/zinc/81/95/97/558819597.db2.gz NCBABXBIJLNIHQ-QGZVFWFLSA-N 1 1 400.906 4.286 40 0 HIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019288227 558861159 /nfs/dbraw/zinc/86/11/59/558861159.db2.gz GCVSCZMGUWZUNO-IBGZPJMESA-N 1 1 407.489 4.310 40 0 HIABMO COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)c2)cc1 ZINC000019291404 558863762 /nfs/dbraw/zinc/86/37/62/558863762.db2.gz CIDLJDACAWPMHW-XZQOPNAISA-N 1 1 417.553 4.215 40 0 HIABMO O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CNc1cccc(C[NH+]2CCOCC2)c1 ZINC000019330720 558868257 /nfs/dbraw/zinc/86/82/57/558868257.db2.gz QBFJQCMHOWCHOD-UHFFFAOYSA-N 1 1 409.917 4.140 40 0 HIABMO O=c1c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)coc2ccc(Cl)cc12 ZINC000019372778 558880024 /nfs/dbraw/zinc/88/00/24/558880024.db2.gz HNYWRBYICFROKY-SFTDATJTSA-N 1 1 408.929 4.338 40 0 HIABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400333 558882904 /nfs/dbraw/zinc/88/29/04/558882904.db2.gz RCDGKTQNBFLVAZ-FXAWDEMLSA-N 1 1 410.518 4.061 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502837 558900100 /nfs/dbraw/zinc/90/01/00/558900100.db2.gz HUDCVZNFSSNGBI-DEOSSOPVSA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503273 558900632 /nfs/dbraw/zinc/90/06/32/558900632.db2.gz ZVOBJCYRJGQYTL-HSZRJFAPSA-N 1 1 414.553 4.057 40 0 HIABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)cc2n1 ZINC000019522439 558903808 /nfs/dbraw/zinc/90/38/08/558903808.db2.gz LLWHKVCEXZHMME-OAHLLOKOSA-N 1 1 404.436 4.309 40 0 HIABMO CCn1c(C)c(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c2cc(OC)ccc21 ZINC000019523873 558905146 /nfs/dbraw/zinc/90/51/46/558905146.db2.gz OZMBEGBADCDLOU-FRPAHBMMSA-N 1 1 419.569 4.411 40 0 HIABMO COc1ccc(-c2n[nH]c(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)c2C)c(OC)c1 ZINC000019555171 558918165 /nfs/dbraw/zinc/91/81/65/558918165.db2.gz OYINOJAKCSKMNA-UHFFFAOYSA-N 1 1 420.513 4.250 40 0 HIABMO Cc1ncsc1-c1nnc([C@H]2CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)o1 ZINC000019562749 558923307 /nfs/dbraw/zinc/92/33/07/558923307.db2.gz KXMRVDBBPFIGGD-LBPRGKRZSA-N 1 1 418.906 4.263 40 0 HIABMO COc1ccccc1C1(O)CCN(Cc2ccccc2OCC[NH+]2CCCCC2)CC1 ZINC000019569275 558928343 /nfs/dbraw/zinc/92/83/43/558928343.db2.gz LSRFICXNWAOIBP-UHFFFAOYSA-N 1 1 424.585 4.044 40 0 HIABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@@H+](Cc4cc(C)c(O)c(C)c4)C3)cc2n1 ZINC000019569959 558928697 /nfs/dbraw/zinc/92/86/97/558928697.db2.gz IUWNWQHBWMXWME-INIZCTEOSA-N 1 1 404.436 4.368 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019579617 558935326 /nfs/dbraw/zinc/93/53/26/558935326.db2.gz KDYYWAODJDBSLC-AREMUKBSSA-N 1 1 414.553 4.057 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019579606 558935357 /nfs/dbraw/zinc/93/53/57/558935357.db2.gz MXEXEVOHEAQXJD-AREMUKBSSA-N 1 1 414.553 4.057 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)cc1 ZINC000072341424 558939803 /nfs/dbraw/zinc/93/98/03/558939803.db2.gz KKFFWSRPMWWKBY-FPOVZHCZSA-N 1 1 413.587 4.411 40 0 HIABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072344791 558941070 /nfs/dbraw/zinc/94/10/70/558941070.db2.gz OFMIXZMOKCSQLV-JOCHJYFZSA-N 1 1 402.542 4.104 40 0 HIABMO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344806 558941097 /nfs/dbraw/zinc/94/10/97/558941097.db2.gz JRSYBMZDWPWLMO-JOCHJYFZSA-N 1 1 402.542 4.370 40 0 HIABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019591285 558941637 /nfs/dbraw/zinc/94/16/37/558941637.db2.gz GQAJVDJIZNZPIR-SANMLTNESA-N 1 1 417.528 4.459 40 0 HIABMO Cn1cc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)c2cc(F)ccc21 ZINC000072352528 558948912 /nfs/dbraw/zinc/94/89/12/558948912.db2.gz FWGLAQXQNPOZEJ-ZDUSSCGKSA-N 1 1 408.502 4.016 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000072352554 558949006 /nfs/dbraw/zinc/94/90/06/558949006.db2.gz UDKLTARYQNUDTC-MRXNPFEDSA-N 1 1 402.523 4.194 40 0 HIABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353343 558950116 /nfs/dbraw/zinc/95/01/16/558950116.db2.gz SMAXSOPINDPAOV-LJQANCHMSA-N 1 1 418.545 4.084 40 0 HIABMO Cc1nc2c(C)cccn2c1C[N@@H+]1CCC[C@@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 ZINC000072353761 558950889 /nfs/dbraw/zinc/95/08/89/558950889.db2.gz GAFJCNACZHLPCW-HXUWFJFHSA-N 1 1 414.557 4.435 40 0 HIABMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359740 558955380 /nfs/dbraw/zinc/95/53/80/558955380.db2.gz KLINHUYIUBBQSM-MRXNPFEDSA-N 1 1 401.436 4.276 40 0 HIABMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359740 558955381 /nfs/dbraw/zinc/95/53/81/558955381.db2.gz KLINHUYIUBBQSM-MRXNPFEDSA-N 1 1 401.436 4.276 40 0 HIABMO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC[N@H+]3CC[C@H](c4ccccc4)C3)c2)n1 ZINC000019666476 558956234 /nfs/dbraw/zinc/95/62/34/558956234.db2.gz ZHXWOVCGANHSSV-FQEVSTJZSA-N 1 1 422.960 4.362 40 0 HIABMO CCn1cc(C[N@H+]2CCCCC[C@H]2Cc2c3ccccc3sc2C(=O)NC)cn1 ZINC000072370640 558956969 /nfs/dbraw/zinc/95/69/69/558956969.db2.gz QDQBSVMRGCQXMT-SFHVURJKSA-N 1 1 410.587 4.465 40 0 HIABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C1)CCC2 ZINC000019689153 558958503 /nfs/dbraw/zinc/95/85/03/558958503.db2.gz MMOMNAYTBBJQFL-OAQYLSRUSA-N 1 1 402.542 4.359 40 0 HIABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 ZINC000019690478 558960093 /nfs/dbraw/zinc/96/00/93/558960093.db2.gz YQLLNJDPMONCCO-GOSISDBHSA-N 1 1 420.532 4.359 40 0 HIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CC3(O)CCCCC3)c2)n1 ZINC000072372668 558960361 /nfs/dbraw/zinc/96/03/61/558960361.db2.gz ZLOPOWDAILYPME-NRFANRHFSA-N 1 1 423.561 4.289 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3ccnc(Nc4ccc(C)cn4)n3)C2)cc1 ZINC000072378011 558967288 /nfs/dbraw/zinc/96/72/88/558967288.db2.gz UCCKVKPDJVKPBL-FQEVSTJZSA-N 1 1 416.529 4.262 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072394045 558973213 /nfs/dbraw/zinc/97/32/13/558973213.db2.gz VSOIJYRAHTZYTN-RUZDIDTESA-N 1 1 419.525 4.433 40 0 HIABMO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](CCOc4cccc(F)c4)C[C@@H]32)o1 ZINC000585109826 559029516 /nfs/dbraw/zinc/02/95/16/559029516.db2.gz YBSPPTAWSGFKNL-WPFOTENUSA-N 1 1 420.484 4.306 40 0 HIABMO Cc1cc(C)cc(C(=O)N2CCC3(C[N@@H+](Cc4ccccc4)C[C@@]34CCOC4)CC2)c1 ZINC000585113486 559031374 /nfs/dbraw/zinc/03/13/74/559031374.db2.gz PXIRWQSEVPCEHK-HHHXNRCGSA-N 1 1 418.581 4.448 40 0 HIABMO c1c(CCOc2ccccc2)n[nH]c1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000585260962 559110092 /nfs/dbraw/zinc/11/00/92/559110092.db2.gz PDUDREDMCHMTPC-RUZDIDTESA-N 1 1 414.509 4.153 40 0 HIABMO c1c(CCOc2ccccc2)n[nH]c1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000585260962 559110094 /nfs/dbraw/zinc/11/00/94/559110094.db2.gz PDUDREDMCHMTPC-RUZDIDTESA-N 1 1 414.509 4.153 40 0 HIABMO CC(=O)Oc1ccc(C[C@@H](C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)cc1 ZINC000100376960 559134648 /nfs/dbraw/zinc/13/46/48/559134648.db2.gz WYYRXLABEPJODI-AWAHEQQVSA-N 1 1 407.510 4.107 40 0 in-man HIABMO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257215660 559282746 /nfs/dbraw/zinc/28/27/46/559282746.db2.gz CRCZXVWSHBPQND-ILBGXUMGSA-N 1 1 408.542 4.028 40 0 HIABMO CCc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257215660 559282747 /nfs/dbraw/zinc/28/27/47/559282747.db2.gz CRCZXVWSHBPQND-ILBGXUMGSA-N 1 1 408.542 4.028 40 0 HIABMO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000000925657 560556848 /nfs/dbraw/zinc/55/68/48/560556848.db2.gz KCFRWWDAYSUNLF-UHFFFAOYSA-N 1 1 422.577 4.303 40 0 HIABMO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000000925657 560556850 /nfs/dbraw/zinc/55/68/50/560556850.db2.gz KCFRWWDAYSUNLF-UHFFFAOYSA-N 1 1 422.577 4.303 40 0 HIABMO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000000925881 560556902 /nfs/dbraw/zinc/55/69/02/560556902.db2.gz FJZBHPOMARVANU-UHFFFAOYSA-N 1 1 422.577 4.167 40 0 HIABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000000925881 560556903 /nfs/dbraw/zinc/55/69/03/560556903.db2.gz FJZBHPOMARVANU-UHFFFAOYSA-N 1 1 422.577 4.167 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161811 560601977 /nfs/dbraw/zinc/60/19/77/560601977.db2.gz FOBAONIGDSKFQU-BTYIYWSLSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161811 560601979 /nfs/dbraw/zinc/60/19/79/560601979.db2.gz FOBAONIGDSKFQU-BTYIYWSLSA-N 1 1 422.577 4.098 40 0 HIABMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000005142156 568440982 /nfs/dbraw/zinc/44/09/82/568440982.db2.gz UVNDTQOPQVKEEJ-NHTMILBNSA-N 1 1 412.505 4.141 40 0 HIABMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000005142156 568440984 /nfs/dbraw/zinc/44/09/84/568440984.db2.gz UVNDTQOPQVKEEJ-NHTMILBNSA-N 1 1 412.505 4.141 40 0 HIABMO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1ccc(F)cc1 ZINC000005513403 568446995 /nfs/dbraw/zinc/44/69/95/568446995.db2.gz MAEOHZDPQIYOPK-SIKLNZKXSA-N 1 1 410.489 4.499 40 0 HIABMO O=C(NCCOc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224537835 568584158 /nfs/dbraw/zinc/58/41/58/568584158.db2.gz VLHDSUDQMGMFRY-UHFFFAOYSA-N 1 1 407.341 4.401 40 0 HIABMO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224585986 568586357 /nfs/dbraw/zinc/58/63/57/568586357.db2.gz GXQBSWPLWICSES-FQEVSTJZSA-N 1 1 410.558 4.034 40 0 HIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(Br)cc1 ZINC000225449030 568638895 /nfs/dbraw/zinc/63/88/95/568638895.db2.gz GXVVJOUWFFDRSC-UHFFFAOYSA-N 1 1 401.333 4.430 40 0 HIABMO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225615738 568657428 /nfs/dbraw/zinc/65/74/28/568657428.db2.gz PNAPHJJCPOFOBE-UHFFFAOYSA-N 1 1 420.594 4.204 40 0 HIABMO CNC(=O)c1cnn([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4OC)c3)CC2)c1 ZINC000257232312 568785290 /nfs/dbraw/zinc/78/52/90/568785290.db2.gz GKHZIFZOEPLSNB-QFIPXVFZSA-N 1 1 418.541 4.146 40 0 HIABMO CNc1cc([C@]2(C)CCC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)nc(C)n1 ZINC000257237582 568786811 /nfs/dbraw/zinc/78/68/11/568786811.db2.gz HHCWYEIMBAKLHS-RUZDIDTESA-N 1 1 417.557 4.354 40 0 HIABMO Cc1nnc([N-]c2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257237913 568786925 /nfs/dbraw/zinc/78/69/25/568786925.db2.gz HITXKRKLVZTBSB-FQEVSTJZSA-N 1 1 418.526 4.107 40 0 HIABMO CNc1cc([C@@]2(C)CCC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)nc(C)n1 ZINC000257237583 568786954 /nfs/dbraw/zinc/78/69/54/568786954.db2.gz HHCWYEIMBAKLHS-VWLOTQADSA-N 1 1 417.557 4.354 40 0 HIABMO Cc1ccccc1C[N@H+]1CCC[C@H](c2nc(C)c(CC(=O)N3CCCCC3)c(C)n2)C1 ZINC000257286218 568800537 /nfs/dbraw/zinc/80/05/37/568800537.db2.gz PKTJXNHNNUAZBS-QHCPKHFHSA-N 1 1 420.601 4.336 40 0 HIABMO Cc1cc(Nc2nncs2)cc([C@@H]2C[N@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257290919 568801880 /nfs/dbraw/zinc/80/18/80/568801880.db2.gz QEVNQWKJFSYZMN-NRFANRHFSA-N 1 1 418.526 4.107 40 0 HIABMO Cc1cc(Nc2nncs2)cc([C@@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257290919 568801881 /nfs/dbraw/zinc/80/18/81/568801881.db2.gz QEVNQWKJFSYZMN-NRFANRHFSA-N 1 1 418.526 4.107 40 0 HIABMO CCN(C(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)c1cccc(C)c1 ZINC000257310490 568807428 /nfs/dbraw/zinc/80/74/28/568807428.db2.gz UFHBRAKZQQVDHR-AZGAKELHSA-N 1 1 422.569 4.188 40 0 HIABMO CCN(C(=O)C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)c1cccc(C)c1 ZINC000257310490 568807430 /nfs/dbraw/zinc/80/74/30/568807430.db2.gz UFHBRAKZQQVDHR-AZGAKELHSA-N 1 1 422.569 4.188 40 0 HIABMO COc1ccc([C@H]2C[C@@H](NC(C)=O)CC3(CCCCC3)O2)cc1Cn1cc[nH+]c1C ZINC000257328105 568812654 /nfs/dbraw/zinc/81/26/54/568812654.db2.gz XEDLBBHMPFCJTG-FYYLOGMGSA-N 1 1 411.546 4.308 40 0 HIABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)nn2c1 ZINC000306138963 568900923 /nfs/dbraw/zinc/90/09/23/568900923.db2.gz SLUOEQDXZUHXFW-IBGZPJMESA-N 1 1 417.488 4.319 40 0 HIABMO Cc1nc2cc([C@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000248033464 569316144 /nfs/dbraw/zinc/31/61/44/569316144.db2.gz YMTKDAKARQKANZ-NFBKMPQASA-N 1 1 423.605 4.297 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)n1 ZINC000019236203 569345302 /nfs/dbraw/zinc/34/53/02/569345302.db2.gz MWVPOERFUCQGBG-ATIYNZHBSA-N 1 1 414.553 4.097 40 0 HIABMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](NC(=O)C2CCC2)c2ccccn2)cc1 ZINC000019555272 569345644 /nfs/dbraw/zinc/34/56/44/569345644.db2.gz ASQMJPZVYKDROF-ZJSXRUAMSA-N 1 1 407.558 4.492 40 0 HIABMO CO[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000020238685 569349560 /nfs/dbraw/zinc/34/95/60/569349560.db2.gz BZWBEFDNXNICAZ-VWLOTQADSA-N 1 1 400.522 4.308 40 0 HIABMO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3cccs3)C2)cc1 ZINC000020503513 575369812 /nfs/dbraw/zinc/36/98/12/575369812.db2.gz OUEZAUXVZWGTAJ-PKOBYXMFSA-N 1 1 419.550 4.155 40 0 biogenic,in-vitro HIABMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC[C@H]1COC(=O)N21 ZINC000225492151 291266801 /nfs/dbraw/zinc/26/68/01/291266801.db2.gz FZONSIDDWBOKTF-KRWDZBQOSA-N 1 1 406.404 4.445 40 0 biogenic,in-vitro HIABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3cccc(C)c3C)cc2Cl)CC1 ZINC000006241889 132309830 /nfs/dbraw/zinc/30/98/30/132309830.db2.gz QDQZYDJQMNNUSF-UHFFFAOYSA-N 1 1 401.938 4.116 40 0 HIABMO CCC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291566 132358066 /nfs/dbraw/zinc/35/80/66/132358066.db2.gz YDNVURKSBJDNJA-DEOSSOPVSA-N 1 1 408.517 4.338 40 0 HIABMO COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044786527 521987487 /nfs/dbraw/zinc/98/74/87/521987487.db2.gz DTHRDQNMTZVXKF-GOSISDBHSA-N 1 1 400.906 4.286 40 0 HIABMO O[C@@H]1CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2[C@H]1C[NH2+]Cc1ccccc1 ZINC000004429923 557554768 /nfs/dbraw/zinc/55/47/68/557554768.db2.gz ZUWKRYJSHNVYBR-GCMFRYMLSA-N 1 1 415.581 4.264 40 0 HIABMO O[C@@H]1CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2[C@@H]1C[NH2+]Cc1ccccc1 ZINC000004429922 557554841 /nfs/dbraw/zinc/55/48/41/557554841.db2.gz ZUWKRYJSHNVYBR-FJNHTJRESA-N 1 1 415.581 4.264 40 0 HIABMO CN(C(=O)c1nccc2ccccc21)[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)CC1 ZINC000019749718 558269468 /nfs/dbraw/zinc/26/94/68/558269468.db2.gz RSYYBBDUZWPREA-IBGZPJMESA-N 1 1 413.525 4.238 40 0 HIABMO CN(C(=O)c1nccc2ccccc21)[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)CC1 ZINC000019749718 558269469 /nfs/dbraw/zinc/26/94/69/558269469.db2.gz RSYYBBDUZWPREA-IBGZPJMESA-N 1 1 413.525 4.238 40 0 HIABMO COc1ccc2cnc(C3CC[NH+](CC(=O)C[C@@H](C)n4ccnc4)CC3)cc2c1C ZINC000012143554 558335468 /nfs/dbraw/zinc/33/54/68/558335468.db2.gz RGUCMONJMVEXEF-QGZVFWFLSA-N 1 1 406.530 4.148 40 0 HIABMO Cc1cc2c(cc1Cl)C=CC1(CC[NH+](CC(=O)NCc3cccs3)CC1)O2 ZINC000012187957 558346787 /nfs/dbraw/zinc/34/67/87/558346787.db2.gz ZBCLPQXVWAZVMN-UHFFFAOYSA-N 1 1 402.947 4.267 40 0 HIABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4ccc(OC)c(C)c4C)[C@H]3C2)cc1 ZINC000012188398 558347387 /nfs/dbraw/zinc/34/73/87/558347387.db2.gz DFHDSWIUCBOUTG-GGAORHGYSA-N 1 1 408.542 4.057 40 0 HIABMO C[N@@H+](Cc1c2cccnc2n(CC(=O)NC2CC2)c1-c1ccco1)Cc1ccccc1 ZINC000012222447 558356412 /nfs/dbraw/zinc/35/64/12/558356412.db2.gz MATDWFAYPUQKLX-UHFFFAOYSA-N 1 1 414.509 4.207 40 0 HIABMO COCCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(C)cc2)C3)cc1OC ZINC000012329103 558383768 /nfs/dbraw/zinc/38/37/68/558383768.db2.gz DTOOBSBPZOOASS-OFFJZUQKSA-N 1 1 411.542 4.043 40 0 HIABMO COc1ccc(-c2cc(C(F)F)nc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2)cc1OC ZINC000036613931 558726815 /nfs/dbraw/zinc/72/68/15/558726815.db2.gz DLTXPRQDHLWRCX-GOOCMWNKSA-N 1 1 404.461 4.136 40 0 HIABMO CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3onc(-c4ccccc4)c32)CC1 ZINC000036618487 558739607 /nfs/dbraw/zinc/73/96/07/558739607.db2.gz AQGMBUHZVUMYPX-UHFFFAOYSA-N 1 1 412.493 4.335 40 0 HIABMO CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030939693 558745436 /nfs/dbraw/zinc/74/54/36/558745436.db2.gz XAERNABGDCUZRD-LJQANCHMSA-N 1 1 411.521 4.206 40 0 HIABMO C[N@@H+](CC[C@@H]1c2ccccc2COc2ccccc21)C[C@@H](O)COc1ccccc1 ZINC000031297689 558749297 /nfs/dbraw/zinc/74/92/97/558749297.db2.gz SZQLTQPHXXXMNC-ZJSXRUAMSA-N 1 1 403.522 4.473 40 0 in-man HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000038834858 558817790 /nfs/dbraw/zinc/81/77/90/558817790.db2.gz FSDXPSGZRALBJE-UHFFFAOYSA-N 1 1 417.250 4.097 40 0 HIABMO CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038855530 558819183 /nfs/dbraw/zinc/81/91/83/558819183.db2.gz ZSCCURZRPZVYGS-PKOBYXMFSA-N 1 1 411.521 4.205 40 0 HIABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019081859 558840007 /nfs/dbraw/zinc/84/00/07/558840007.db2.gz QEPXLMUAVBMRPA-DYESRHJHSA-N 1 1 401.501 4.475 40 0 HIABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000019082060 558840011 /nfs/dbraw/zinc/84/00/11/558840011.db2.gz VYWLPJDXQCMFBR-NRFANRHFSA-N 1 1 401.501 4.475 40 0 HIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3ccc(C)s3)C1)O2 ZINC000019217188 558850701 /nfs/dbraw/zinc/85/07/01/558850701.db2.gz MXSHNTGVESUWCV-JPYJTQIMSA-N 1 1 414.571 4.087 40 0 HIABMO Cc1ccccc1-c1ncc(C[N@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)cn1 ZINC000019237556 558856767 /nfs/dbraw/zinc/85/67/67/558856767.db2.gz BLFRLQMARSPYCQ-JYFHCDHNSA-N 1 1 412.537 4.090 40 0 HIABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019287747 558860944 /nfs/dbraw/zinc/86/09/44/558860944.db2.gz LOVBGCINRZABOK-AVRDEDQJSA-N 1 1 419.525 4.089 40 0 HIABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400330 558882870 /nfs/dbraw/zinc/88/28/70/558882870.db2.gz RCDGKTQNBFLVAZ-YLJYHZDGSA-N 1 1 410.518 4.061 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503352 558900470 /nfs/dbraw/zinc/90/04/70/558900470.db2.gz BZBSJFQUYIISBF-DEOSSOPVSA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](CC2=CCCOC2)C[C@H](Cc2ccccc2-c2cccs2)C1=O ZINC000019503332 558900557 /nfs/dbraw/zinc/90/05/57/558900557.db2.gz JOVQKEHNIXRXKC-QFIPXVFZSA-N 1 1 424.610 4.475 40 0 HIABMO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019533853 558913207 /nfs/dbraw/zinc/91/32/07/558913207.db2.gz WSEPJZISWFUDEK-HXUWFJFHSA-N 1 1 420.513 4.379 40 0 HIABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019533853 558913210 /nfs/dbraw/zinc/91/32/10/558913210.db2.gz WSEPJZISWFUDEK-HXUWFJFHSA-N 1 1 420.513 4.379 40 0 HIABMO COc1ccc(OC)c(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)c1 ZINC000019551402 558915536 /nfs/dbraw/zinc/91/55/36/558915536.db2.gz IJVFXCZJVZIKJD-BJKOFHAPSA-N 1 1 422.500 4.423 40 0 HIABMO COc1ccc(OC)c(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)c1 ZINC000019551402 558915539 /nfs/dbraw/zinc/91/55/39/558915539.db2.gz IJVFXCZJVZIKJD-BJKOFHAPSA-N 1 1 422.500 4.423 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344787 558941133 /nfs/dbraw/zinc/94/11/33/558941133.db2.gz YQMWXCOOTIFLFX-OAQYLSRUSA-N 1 1 418.541 4.070 40 0 HIABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000072346223 558943098 /nfs/dbraw/zinc/94/30/98/558943098.db2.gz HZMCGMVZNIFOKY-QGZVFWFLSA-N 1 1 408.937 4.111 40 0 HIABMO COc1cccc(OCC[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c1 ZINC000072352390 558948671 /nfs/dbraw/zinc/94/86/71/558948671.db2.gz DHZNIMRHMJDRIR-QGZVFWFLSA-N 1 1 424.566 4.480 40 0 HIABMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1)C1CCCCC1 ZINC000072353017 558949667 /nfs/dbraw/zinc/94/96/67/558949667.db2.gz RNOQAJXNFBAGLF-NRFANRHFSA-N 1 1 411.525 4.287 40 0 HIABMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1)C1CCCCC1 ZINC000072353017 558949670 /nfs/dbraw/zinc/94/96/70/558949670.db2.gz RNOQAJXNFBAGLF-NRFANRHFSA-N 1 1 411.525 4.287 40 0 HIABMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353134 558949748 /nfs/dbraw/zinc/94/97/48/558949748.db2.gz LWRALJANMYMGLQ-HXUWFJFHSA-N 1 1 408.481 4.008 40 0 HIABMO COc1ccccc1Cc1cc(C)nc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)c1 ZINC000072353982 558951255 /nfs/dbraw/zinc/95/12/55/558951255.db2.gz XBRWMMJBYAEXPO-JOCHJYFZSA-N 1 1 404.558 4.411 40 0 HIABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CCCCC2)n1 ZINC000072357693 558953497 /nfs/dbraw/zinc/95/34/97/558953497.db2.gz OEMJZXXOBVKUFA-QHCPKHFHSA-N 1 1 407.558 4.267 40 0 HIABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NC2CCCCC2)n1 ZINC000072357693 558953499 /nfs/dbraw/zinc/95/34/99/558953499.db2.gz OEMJZXXOBVKUFA-QHCPKHFHSA-N 1 1 407.558 4.267 40 0 HIABMO Cc1ccn(CCC(=O)N2CCC[C@@H]2c2cc(Nc3ncccc3C)cc(C)[nH+]2)n1 ZINC000072372575 558960166 /nfs/dbraw/zinc/96/01/66/558960166.db2.gz PZHAJYFUCLYEQI-OAQYLSRUSA-N 1 1 404.518 4.096 40 0 HIABMO Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)[nH+]1 ZINC000072372673 558960421 /nfs/dbraw/zinc/96/04/21/558960421.db2.gz FXWWMCMMACNSFR-GOSISDBHSA-N 1 1 400.548 4.339 40 0 HIABMO CCn1ncc(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000019693964 558961972 /nfs/dbraw/zinc/96/19/72/558961972.db2.gz JSUJOSYZNFARSP-IBGZPJMESA-N 1 1 422.552 4.253 40 0 HIABMO Cc1c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)cnn1C ZINC000019694052 558962085 /nfs/dbraw/zinc/96/20/85/558962085.db2.gz FIYMIZANHATITH-SFHVURJKSA-N 1 1 424.980 4.285 40 0 HIABMO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000019694359 558962681 /nfs/dbraw/zinc/96/26/81/558962681.db2.gz QYUJDVSBHQCMFL-FQEVSTJZSA-N 1 1 410.953 4.324 40 0 HIABMO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019694359 558962685 /nfs/dbraw/zinc/96/26/85/558962685.db2.gz QYUJDVSBHQCMFL-FQEVSTJZSA-N 1 1 410.953 4.324 40 0 HIABMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)cc1CO ZINC000072376440 558965861 /nfs/dbraw/zinc/96/58/61/558965861.db2.gz REBXAEZZUGTHDE-OAQYLSRUSA-N 1 1 419.529 4.152 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)cc1CO ZINC000072376440 558965862 /nfs/dbraw/zinc/96/58/62/558965862.db2.gz REBXAEZZUGTHDE-OAQYLSRUSA-N 1 1 419.529 4.152 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(F)c1 ZINC000072398624 558976362 /nfs/dbraw/zinc/97/63/62/558976362.db2.gz XLJLBMJSIJCIHN-GCJKJVERSA-N 1 1 413.537 4.345 40 0 HIABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1C ZINC000019715484 558976571 /nfs/dbraw/zinc/97/65/71/558976571.db2.gz AHIHYXVJTHVSKY-IBGZPJMESA-N 1 1 422.577 4.269 40 0 HIABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1C ZINC000019715484 558976572 /nfs/dbraw/zinc/97/65/72/558976572.db2.gz AHIHYXVJTHVSKY-IBGZPJMESA-N 1 1 422.577 4.269 40 0 HIABMO Cc1c(C(=O)Nc2cccc(C[N@@H+]3CCCC[C@H]3C)c2)sc2[nH]c(C)nc(=O)c12 ZINC000019718939 558982339 /nfs/dbraw/zinc/98/23/39/558982339.db2.gz HIIKEDYVLLOYLY-CYBMUJFWSA-N 1 1 410.543 4.228 40 0 HIABMO O=C(Nc1ccccc1F)c1ccc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000096267519 559108209 /nfs/dbraw/zinc/10/82/09/559108209.db2.gz ZJSLKBUXZKSYHQ-GOSISDBHSA-N 1 1 415.472 4.110 40 0 HIABMO O[C@]1(COc2cc(F)cc(F)c2)COCC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585283608 559120776 /nfs/dbraw/zinc/12/07/76/559120776.db2.gz SLIAYDACDQZXCX-APTRMMRNSA-N 1 1 417.496 4.133 40 0 HIABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216484 559169574 /nfs/dbraw/zinc/16/95/74/559169574.db2.gz CBAWSYUGOGQGQA-HXUWFJFHSA-N 1 1 402.583 4.322 40 0 HIABMO O=C(CCc1ccccc1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355106 559185812 /nfs/dbraw/zinc/18/58/12/559185812.db2.gz DPRDELZXUKQSHI-RUZDIDTESA-N 1 1 413.565 4.218 40 0 HIABMO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCOc3ccccc3)C2)c1 ZINC000072358896 559186043 /nfs/dbraw/zinc/18/60/43/559186043.db2.gz NNHOTJMTTJNXRR-NRFANRHFSA-N 1 1 416.525 4.360 40 0 HIABMO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257215661 559282764 /nfs/dbraw/zinc/28/27/64/559282764.db2.gz CRCZXVWSHBPQND-NOZRDPDXSA-N 1 1 408.542 4.028 40 0 HIABMO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257215661 559282765 /nfs/dbraw/zinc/28/27/65/559282765.db2.gz CRCZXVWSHBPQND-NOZRDPDXSA-N 1 1 408.542 4.028 40 0 HIABMO COc1cccc(-c2cncc([C@@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)n2)c1 ZINC000257293345 559285803 /nfs/dbraw/zinc/28/58/03/559285803.db2.gz QPCKIOICTBVFHY-VWLOTQADSA-N 1 1 414.509 4.217 40 0 HIABMO COc1cccc(-c2cncc([C@@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)n2)c1 ZINC000257293345 559285804 /nfs/dbraw/zinc/28/58/04/559285804.db2.gz QPCKIOICTBVFHY-VWLOTQADSA-N 1 1 414.509 4.217 40 0 HIABMO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2cc1C ZINC000000893748 560543534 /nfs/dbraw/zinc/54/35/34/560543534.db2.gz XWEQFTPOEVCSRX-QFIPXVFZSA-N 1 1 420.561 4.212 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161849 560601944 /nfs/dbraw/zinc/60/19/44/560601944.db2.gz NKUXDUBDWYAXQF-BTYIYWSLSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161849 560601946 /nfs/dbraw/zinc/60/19/46/560601946.db2.gz NKUXDUBDWYAXQF-BTYIYWSLSA-N 1 1 422.577 4.098 40 0 HIABMO CC1(C)CC(N2CC[C@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000004442305 560859124 /nfs/dbraw/zinc/85/91/24/560859124.db2.gz NEOJLOAKLIOQTH-KCWPFWIISA-N 1 1 420.597 4.388 40 0 HIABMO Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)n2)cc1 ZINC000222595638 568519814 /nfs/dbraw/zinc/51/98/14/568519814.db2.gz ZFNFURAASQYDSQ-LJQANCHMSA-N 1 1 424.932 4.227 40 0 HIABMO CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000225458082 568640023 /nfs/dbraw/zinc/64/00/23/568640023.db2.gz XDBLXHCASODLBA-UHFFFAOYSA-N 1 1 408.527 4.152 40 0 HIABMO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575362 568653074 /nfs/dbraw/zinc/65/30/74/568653074.db2.gz GXRHIPPJVMCZCM-UHFFFAOYSA-N 1 1 404.869 4.116 40 0 HIABMO COc1ncccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@@H]2Cc1ccccc1 ZINC000257235215 568786122 /nfs/dbraw/zinc/78/61/22/568786122.db2.gz GWXQWKNFWZWUFO-KDHQNNTKSA-N 1 1 419.569 4.179 40 0 HIABMO Cc1c(F)cccc1NC(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257249172 568790218 /nfs/dbraw/zinc/79/02/18/568790218.db2.gz JHDAGXBGJMQLDW-UHFFFAOYSA-N 1 1 419.504 4.486 40 0 HIABMO COc1ccccc1NC(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257252972 568791065 /nfs/dbraw/zinc/79/10/65/568791065.db2.gz JWZLAMVEAINACU-UHFFFAOYSA-N 1 1 417.513 4.047 40 0 HIABMO O=C(CNc1ccccc1F)N1CCC(c2cc(Nc3ccccn3)cc[nH+]2)CC1 ZINC000257266533 568794588 /nfs/dbraw/zinc/79/45/88/568794588.db2.gz MDKBRKAFVQOISP-UHFFFAOYSA-N 1 1 405.477 4.177 40 0 HIABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257276918 568797583 /nfs/dbraw/zinc/79/75/83/568797583.db2.gz NVQYUAGWCXVOLJ-QFIPXVFZSA-N 1 1 408.590 4.273 40 0 HIABMO CNc1cc(C)nc([C@]2(C)CCC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)n1 ZINC000257341559 568816353 /nfs/dbraw/zinc/81/63/53/568816353.db2.gz ZKWWCJSTXUHKOH-RUZDIDTESA-N 1 1 417.557 4.354 40 0 HIABMO CC(C)C[N@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000306142272 568903739 /nfs/dbraw/zinc/90/37/39/568903739.db2.gz WVAJPMMZCYIEMD-REWPJTCUSA-N 1 1 413.587 4.210 40 0 HIABMO Cc1ccsc1C[N@@H+]1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306144784 568906277 /nfs/dbraw/zinc/90/62/77/568906277.db2.gz ZOKVUXPNVHPKFQ-AUSIDOKSSA-N 1 1 412.603 4.062 40 0 HIABMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000024302487 569047684 /nfs/dbraw/zinc/04/76/84/569047684.db2.gz SUHSUMBWBZPRJC-QHCPKHFHSA-N 1 1 424.585 4.305 40 0 HIABMO C[C@H](C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000248137621 569316420 /nfs/dbraw/zinc/31/64/20/569316420.db2.gz AOUGWCHXBKCHMN-JLRUASKGSA-N 1 1 414.553 4.463 40 0 HIABMO C[C@@H]1CCCC[N@H+]1[C@@H](C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000248158922 569316540 /nfs/dbraw/zinc/31/65/40/569316540.db2.gz WOSNLWWKJPNUKB-SXSPYAJSSA-N 1 1 420.532 4.381 40 0 HIABMO CCC(=O)Nc1cc([C@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C)ccc1OC ZINC000253591441 569318200 /nfs/dbraw/zinc/31/82/00/569318200.db2.gz NIGKHVSYIHGVFF-QVKFZJNVSA-N 1 1 407.514 4.178 40 0 HIABMO CCC(=O)Nc1cc([C@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C)ccc1OC ZINC000253591441 569318201 /nfs/dbraw/zinc/31/82/01/569318201.db2.gz NIGKHVSYIHGVFF-QVKFZJNVSA-N 1 1 407.514 4.178 40 0 HIABMO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009063706 569342511 /nfs/dbraw/zinc/34/25/11/569342511.db2.gz BOTXZMGUETYHRE-UHFFFAOYSA-N 1 1 403.885 4.288 40 0 HIABMO CC[N@H+]1CC[C@@H](CCc2ccc(NC(=O)c3cccc4c3C(=O)N(C)C4)cc2)[C@@H](C)C1 ZINC000012144909 569344633 /nfs/dbraw/zinc/34/46/33/569344633.db2.gz HSFUCFDYZBHSEG-AZUAARDMSA-N 1 1 419.569 4.435 40 0 HIABMO CCN(CC)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+]1Cc1cccnc1 ZINC000019696552 569346843 /nfs/dbraw/zinc/34/68/43/569346843.db2.gz WEIVZVGNBHFGKC-VWLOTQADSA-N 1 1 418.541 4.182 40 0 HIABMO Brc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CCCC3)n1)C2 ZINC000328983697 571304275 /nfs/dbraw/zinc/30/42/75/571304275.db2.gz HIIRQABBWPYZIK-UHFFFAOYSA-N 1 1 413.363 5.034 40 0 HIABMO COc1cc2c(cc1OC)CN(c1cc(C3CC3)[nH+]c(NC3CCCCC3)n1)CC2 ZINC000328966201 571308748 /nfs/dbraw/zinc/30/87/48/571308748.db2.gz CIKUBGWATBLVSD-UHFFFAOYSA-N 1 1 408.546 4.679 40 0 HIABMO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000044912652 520981906 /nfs/dbraw/zinc/98/19/06/520981906.db2.gz XQJGFPIVIKKLRK-UHFFFAOYSA-N 1 1 404.913 4.406 40 0 HIABMO COc1ccc(C2N([C@H]3CCOC(C)(C)C3)CC[N@@H+]2[C@@H]2CCOC(C)(C)C2)cc1 ZINC000032095328 523884519 /nfs/dbraw/zinc/88/45/19/523884519.db2.gz GBNXAEASSPMFBH-RLAPIPATSA-N 1 1 402.579 4.227 40 0 HIABMO COc1ccc(C2N([C@H]3CCOC(C)(C)C3)CC[N@H+]2[C@@H]2CCOC(C)(C)C2)cc1 ZINC000032095328 523884520 /nfs/dbraw/zinc/88/45/20/523884520.db2.gz GBNXAEASSPMFBH-RLAPIPATSA-N 1 1 402.579 4.227 40 0 HIABMO COc1ccc(C2N([C@@H]3CCOC(C)(C)C3)CC[N@@H+]2[C@H]2CCOC(C)(C)C2)cc1 ZINC000032095328 523884528 /nfs/dbraw/zinc/88/45/28/523884528.db2.gz GBNXAEASSPMFBH-RLAPIPATSA-N 1 1 402.579 4.227 40 0 HIABMO COc1ccc(C2N([C@@H]3CCOC(C)(C)C3)CC[N@H+]2[C@H]2CCOC(C)(C)C2)cc1 ZINC000032095328 523884534 /nfs/dbraw/zinc/88/45/34/523884534.db2.gz GBNXAEASSPMFBH-RLAPIPATSA-N 1 1 402.579 4.227 40 0 HIABMO O[C@H]1CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2[C@H]1C[NH2+]Cc1ccccc1 ZINC000004429925 557554848 /nfs/dbraw/zinc/55/48/48/557554848.db2.gz ZUWKRYJSHNVYBR-WUSYTRHVSA-N 1 1 415.581 4.264 40 0 HIABMO Cc1nc([C@H]2CCC[N@H+]2CCc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019753337 558272840 /nfs/dbraw/zinc/27/28/40/558272840.db2.gz KULDPNQSGNYUMS-HSZRJFAPSA-N 1 1 400.526 4.095 40 0 HIABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cccc3c2C(=O)N(C)C3)cc1 ZINC000012241245 558360388 /nfs/dbraw/zinc/36/03/88/558360388.db2.gz NVTVUXPLEMAGKC-HKUYNNGSSA-N 1 1 405.542 4.045 40 0 HIABMO COC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ccc1Cl ZINC000030938885 558745136 /nfs/dbraw/zinc/74/51/36/558745136.db2.gz NSRRGASOXINSQP-HNNXBMFYSA-N 1 1 404.869 4.116 40 0 HIABMO C[NH+]1CCN(C(=O)CCSc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1 ZINC000031759265 558752110 /nfs/dbraw/zinc/75/21/10/558752110.db2.gz IOBWBGWRZLOGMV-UHFFFAOYSA-N 1 1 407.539 4.265 40 0 HIABMO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCN(Cc2ccccc2F)CC1 ZINC000038831418 558816689 /nfs/dbraw/zinc/81/66/89/558816689.db2.gz MMQOCRVGODCZJK-UHFFFAOYSA-N 1 1 423.576 4.340 40 0 HIABMO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038855527 558819304 /nfs/dbraw/zinc/81/93/04/558819304.db2.gz ZSCCURZRPZVYGS-IEBWSBKVSA-N 1 1 411.521 4.205 40 0 HIABMO O=C(C1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019014867 558837003 /nfs/dbraw/zinc/83/70/03/558837003.db2.gz DFFPNBZEADOWEH-OAQYLSRUSA-N 1 1 412.578 4.117 40 0 HIABMO COc1c(C)cccc1C[N@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C1 ZINC000019235975 558855210 /nfs/dbraw/zinc/85/52/10/558855210.db2.gz FAPZYTDNYWNEAE-FQEVSTJZSA-N 1 1 417.557 4.301 40 0 HIABMO O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019336356 558870100 /nfs/dbraw/zinc/87/01/00/558870100.db2.gz CUMFUDVRBIKRNU-DNVJHFABSA-N 1 1 421.541 4.413 40 0 HIABMO OC1(c2nccn2Cc2ccccc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(F)c1F)C2 ZINC000019372910 558880143 /nfs/dbraw/zinc/88/01/43/558880143.db2.gz GPDIJRNXLOZMKB-KEVCNVLYSA-N 1 1 423.507 4.329 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)c(F)c1 ZINC000019446654 558886346 /nfs/dbraw/zinc/88/63/46/558886346.db2.gz MOXYPZMOOYKHIW-NTKDMRAZSA-N 1 1 413.537 4.345 40 0 HIABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019446651 558886350 /nfs/dbraw/zinc/88/63/50/558886350.db2.gz LITUWZJQYZIBIR-MBSDFSHPSA-N 1 1 401.501 4.475 40 0 HIABMO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449604 558888234 /nfs/dbraw/zinc/88/82/34/558888234.db2.gz IVVWESLIFLCLDV-SANMLTNESA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000019450638 558889100 /nfs/dbraw/zinc/88/91/00/558889100.db2.gz AMJFQYYXKJCSKK-MRXNPFEDSA-N 1 1 401.461 4.229 40 0 HIABMO COc1ccc2nc(C[N@H+](Cc3ccc(OC)c(OC)c3)C[C@H]3CCCO3)ccc2c1 ZINC000057811199 558891026 /nfs/dbraw/zinc/89/10/26/558891026.db2.gz KFKXXLRLHVGRPK-JOCHJYFZSA-N 1 1 422.525 4.442 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502843 558900177 /nfs/dbraw/zinc/90/01/77/558900177.db2.gz AKONHJNUXMJXGM-RUZDIDTESA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502940 558900336 /nfs/dbraw/zinc/90/03/36/558900336.db2.gz LNFLQZXLWMAIBI-XMMPIXPASA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503057 558900341 /nfs/dbraw/zinc/90/03/41/558900341.db2.gz KPELFOYWNJHPOG-DEOSSOPVSA-N 1 1 414.553 4.057 40 0 HIABMO CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019528745 558909972 /nfs/dbraw/zinc/90/99/72/558909972.db2.gz JEDDUQREYXKXEI-SANMLTNESA-N 1 1 414.553 4.105 40 0 HIABMO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)no2)cc1 ZINC000019555775 558918577 /nfs/dbraw/zinc/91/85/77/558918577.db2.gz PPVXSBQEPMXLJC-HXUWFJFHSA-N 1 1 411.546 4.373 40 0 HIABMO COc1ccc2nc(C[N@H+]3CCC[C@H](c4nnc(-c5scnc5C)o4)C3)ccc2c1 ZINC000019562786 558923343 /nfs/dbraw/zinc/92/33/43/558923343.db2.gz GAOFFIRGSUMWDP-INIZCTEOSA-N 1 1 421.526 4.438 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(C(=O)NCc3cccc(F)c3)on2)C1 ZINC000019570303 558929242 /nfs/dbraw/zinc/92/92/42/558929242.db2.gz DWCZWNPJNAPJCU-GOSISDBHSA-N 1 1 423.488 4.132 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC000072352331 558948499 /nfs/dbraw/zinc/94/84/99/558948499.db2.gz FUDVQSORWZVBFH-OAHLLOKOSA-N 1 1 415.584 4.032 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352546 558948917 /nfs/dbraw/zinc/94/89/17/558948917.db2.gz BDSIRFNZKHXXCJ-QGZVFWFLSA-N 1 1 402.523 4.194 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072359733 558955408 /nfs/dbraw/zinc/95/54/08/558955408.db2.gz NPEMVKWBZARPCD-KRWDZBQOSA-N 1 1 401.436 4.276 40 0 HIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C1)CCC2 ZINC000019689155 558958616 /nfs/dbraw/zinc/95/86/16/558958616.db2.gz MMOMNAYTBBJQFL-NRFANRHFSA-N 1 1 402.542 4.359 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019689527 558959053 /nfs/dbraw/zinc/95/90/53/558959053.db2.gz NGKMMALLHYMWMI-FQEVSTJZSA-N 1 1 410.953 4.242 40 0 HIABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 ZINC000019691922 558961383 /nfs/dbraw/zinc/96/13/83/558961383.db2.gz ASWUCKQAQVZUTH-DEOSSOPVSA-N 1 1 420.532 4.436 40 0 HIABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 ZINC000019691922 558961385 /nfs/dbraw/zinc/96/13/85/558961385.db2.gz ASWUCKQAQVZUTH-DEOSSOPVSA-N 1 1 420.532 4.436 40 0 HIABMO Cc1cc(Cc2ccccc2C)cc([C@@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000019692030 558961700 /nfs/dbraw/zinc/96/17/00/558961700.db2.gz CYHFZFMTUBSVKL-DEOSSOPVSA-N 1 1 401.558 4.482 40 0 HIABMO Cc1cc(Cc2ccccc2C)cc([C@@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000019692030 558961703 /nfs/dbraw/zinc/96/17/03/558961703.db2.gz CYHFZFMTUBSVKL-DEOSSOPVSA-N 1 1 401.558 4.482 40 0 HIABMO CC(C)Nc1[nH]nc2nc([C@H]3CCCN3C(=O)CCC[NH+]3CCCCCC3)ccc21 ZINC000072374546 558962170 /nfs/dbraw/zinc/96/21/70/558962170.db2.gz DOQSOZMSJQFCGQ-HXUWFJFHSA-N 1 1 412.582 4.098 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394067 558973233 /nfs/dbraw/zinc/97/32/33/558973233.db2.gz ULKAZFKCCZPOHM-RUZDIDTESA-N 1 1 419.525 4.433 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394020 558973292 /nfs/dbraw/zinc/97/32/92/558973292.db2.gz KDQRGCOCUQFWMJ-DEOSSOPVSA-N 1 1 423.488 4.264 40 0 HIABMO C[C@@H](C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000072398642 558976187 /nfs/dbraw/zinc/97/61/87/558976187.db2.gz AOUGWCHXBKCHMN-XTJBDQBJSA-N 1 1 414.553 4.463 40 0 HIABMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000257277515 558997578 /nfs/dbraw/zinc/99/75/78/558997578.db2.gz NYGMLXKEYYFZOA-WKILWMFISA-N 1 1 413.547 4.208 40 0 HIABMO Cc1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CC[C@@H]32)s1 ZINC000585107941 559029710 /nfs/dbraw/zinc/02/97/10/559029710.db2.gz HJZQZXWJSWBFPO-FFGOWVMKSA-N 1 1 415.990 4.250 40 0 HIABMO O=C(CCc1cccnc1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000096245523 559105041 /nfs/dbraw/zinc/10/50/41/559105041.db2.gz QPQVVORLPNKCJO-WMPKNSHKSA-N 1 1 411.549 4.272 40 0 HIABMO O=C1CO[C@@]2(CN1c1ccc(F)cc1)CCC[N@@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000585261862 559109509 /nfs/dbraw/zinc/10/95/09/559109509.db2.gz ZPTADTNIOQUISO-DEOSSOPVSA-N 1 1 407.489 4.095 40 0 HIABMO CC(C)(C)[C@H]1CC[C@H]([N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)CC1 ZINC000585287264 559120883 /nfs/dbraw/zinc/12/08/83/559120883.db2.gz LSVPZPBXURYLBK-RDAXPCIFSA-N 1 1 413.961 4.261 40 0 HIABMO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@H+]([C@H]3CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585288125 559123358 /nfs/dbraw/zinc/12/33/58/559123358.db2.gz XAFYAAVSYZMNGM-CFFRYYMNSA-N 1 1 409.998 4.430 40 0 HIABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216426 559169507 /nfs/dbraw/zinc/16/95/07/559169507.db2.gz OCXYLVNSLPICBI-HXUWFJFHSA-N 1 1 402.583 4.466 40 0 HIABMO C[N@H+]1CCC[C@@H]1CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257227025 559283718 /nfs/dbraw/zinc/28/37/18/559283718.db2.gz FNHNWOPRSKTHMD-XMMPIXPASA-N 1 1 424.560 4.433 40 0 HIABMO Cc1noc(C)c1COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C)cc2C)cc1 ZINC000257251470 559284536 /nfs/dbraw/zinc/28/45/36/559284536.db2.gz JQXPYOOPMMNVAG-JOCHJYFZSA-N 1 1 424.541 4.359 40 0 HIABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)cc12 ZINC000000894153 560543590 /nfs/dbraw/zinc/54/35/90/560543590.db2.gz QPEUKOPXJVMAOQ-JOCHJYFZSA-N 1 1 420.561 4.212 40 0 HIABMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002399928 560559889 /nfs/dbraw/zinc/55/98/89/560559889.db2.gz LECWXRCCRNHFDU-JLCFBVMHSA-N 1 1 417.937 4.447 40 0 HIABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000004847550 560609407 /nfs/dbraw/zinc/60/94/07/560609407.db2.gz LKBXTJXIQSFIIF-HXUWFJFHSA-N 1 1 422.577 4.474 40 0 HIABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000004847550 560609408 /nfs/dbraw/zinc/60/94/08/560609408.db2.gz LKBXTJXIQSFIIF-HXUWFJFHSA-N 1 1 422.577 4.474 40 0 HIABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000004847476 560609416 /nfs/dbraw/zinc/60/94/16/560609416.db2.gz CQJIKYPTWVXFMQ-NRFANRHFSA-N 1 1 422.577 4.474 40 0 HIABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000004847476 560609417 /nfs/dbraw/zinc/60/94/17/560609417.db2.gz CQJIKYPTWVXFMQ-NRFANRHFSA-N 1 1 422.577 4.474 40 0 HIABMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)cc1 ZINC000004301828 560895415 /nfs/dbraw/zinc/89/54/15/560895415.db2.gz PEVVHERVOUVHQU-ZODMCCGTSA-N 1 1 424.541 4.011 40 0 HIABMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)cc1 ZINC000004301828 560895416 /nfs/dbraw/zinc/89/54/16/560895416.db2.gz PEVVHERVOUVHQU-ZODMCCGTSA-N 1 1 424.541 4.011 40 0 HIABMO Cc1ccc(-c2noc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)n2)cc1 ZINC000219240148 568488200 /nfs/dbraw/zinc/48/82/00/568488200.db2.gz KJXWRDQIIYUXGK-SFHVURJKSA-N 1 1 404.514 4.207 40 0 HIABMO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224585175 568586335 /nfs/dbraw/zinc/58/63/35/568586335.db2.gz JTZYIRWXKTWYNZ-DEOSSOPVSA-N 1 1 424.585 4.290 40 0 HIABMO O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224589177 568586583 /nfs/dbraw/zinc/58/65/83/568586583.db2.gz MVMFDBCJKSPXHG-UHFFFAOYSA-N 1 1 407.341 4.075 40 0 HIABMO O=C(CCc1c(Cl)cccc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224755783 568595532 /nfs/dbraw/zinc/59/55/32/568595532.db2.gz WTTUNDJHDWYUMZ-UHFFFAOYSA-N 1 1 407.341 4.075 40 0 HIABMO O=C(NCCSCc1ccco1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578450 568653522 /nfs/dbraw/zinc/65/35/22/568653522.db2.gz JAGIZFVHOZNBTK-UHFFFAOYSA-N 1 1 410.942 4.334 40 0 HIABMO CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904500 568684802 /nfs/dbraw/zinc/68/48/02/568684802.db2.gz CURIGRZCAHNOFQ-LJQANCHMSA-N 1 1 414.933 4.296 40 0 HIABMO Cc1ncc(CN2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)s1 ZINC000257240179 568787465 /nfs/dbraw/zinc/78/74/65/568787465.db2.gz HSLPVBFKKOVACE-HXUWFJFHSA-N 1 1 418.950 4.023 40 0 HIABMO Cn1c2ccccc2nc1C[N@@H+]1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257291105 568801830 /nfs/dbraw/zinc/80/18/30/568801830.db2.gz QFRWIILTHGCDPG-QSOCRCLWSA-N 1 1 403.526 4.465 40 0 HIABMO Cn1c2ccccc2nc1C[N@H+]1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257291105 568801831 /nfs/dbraw/zinc/80/18/31/568801831.db2.gz QFRWIILTHGCDPG-QSOCRCLWSA-N 1 1 403.526 4.465 40 0 HIABMO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CC[N@@H+](Cc5ccccc5F)C4)ccc23)n1 ZINC000257313900 568808298 /nfs/dbraw/zinc/80/82/98/568808298.db2.gz UUPNGUMEDVEEMV-GOSISDBHSA-N 1 1 416.504 4.402 40 0 HIABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CC[N@H+](Cc5ccccc5F)C4)ccc32)n1 ZINC000257313900 568808300 /nfs/dbraw/zinc/80/83/00/568808300.db2.gz UUPNGUMEDVEEMV-GOSISDBHSA-N 1 1 416.504 4.402 40 0 HIABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CC[N@@H+](Cc5ccccc5F)C4)ccc32)n1 ZINC000257313900 568808302 /nfs/dbraw/zinc/80/83/02/568808302.db2.gz UUPNGUMEDVEEMV-GOSISDBHSA-N 1 1 416.504 4.402 40 0 HIABMO CCCCC[C@]1(O)CC[N@H+](CC(=O)N2CCc3ccccc32)C[C@@H]1Oc1ccccc1 ZINC000257330894 568813425 /nfs/dbraw/zinc/81/34/25/568813425.db2.gz XQLWRDUGCCOPDI-AHWVRZQESA-N 1 1 422.569 4.040 40 0 HIABMO CCCCC[C@]1(O)CC[N@@H+](CC(=O)N2CCc3ccccc32)C[C@@H]1Oc1ccccc1 ZINC000257330894 568813426 /nfs/dbraw/zinc/81/34/26/568813426.db2.gz XQLWRDUGCCOPDI-AHWVRZQESA-N 1 1 422.569 4.040 40 0 HIABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)CC1 ZINC000257334435 568814276 /nfs/dbraw/zinc/81/42/76/568814276.db2.gz YFWBDKRYXRFRMP-LJQANCHMSA-N 1 1 410.537 4.463 40 0 HIABMO CN1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306139919 568901772 /nfs/dbraw/zinc/90/17/72/568901772.db2.gz UDVRIPCQFZYQAP-QHCPKHFHSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306139919 568901773 /nfs/dbraw/zinc/90/17/73/568901773.db2.gz UDVRIPCQFZYQAP-QHCPKHFHSA-N 1 1 401.489 4.024 40 0 HIABMO CC(C)C[N@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000306142270 568903758 /nfs/dbraw/zinc/90/37/58/568903758.db2.gz WVAJPMMZCYIEMD-NZQKXSOJSA-N 1 1 413.587 4.210 40 0 HIABMO O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198812 569058964 /nfs/dbraw/zinc/05/89/64/569058964.db2.gz JATBDXCMEJWEEG-UDKICSLYSA-N 1 1 408.571 4.173 40 0 HIABMO O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198812 569058965 /nfs/dbraw/zinc/05/89/65/569058965.db2.gz JATBDXCMEJWEEG-UDKICSLYSA-N 1 1 408.571 4.173 40 0 HIABMO O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198812 569058966 /nfs/dbraw/zinc/05/89/66/569058966.db2.gz JATBDXCMEJWEEG-UDKICSLYSA-N 1 1 408.571 4.173 40 0 HIABMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009063674 569342534 /nfs/dbraw/zinc/34/25/34/569342534.db2.gz GUGPSVTUTVXIAV-UHFFFAOYSA-N 1 1 404.913 4.059 40 0 HIABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 ZINC000012182130 569344655 /nfs/dbraw/zinc/34/46/55/569344655.db2.gz QJSFELWRKPQBHH-FHJLPGHOSA-N 1 1 405.542 4.020 40 0 HIABMO CCOc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ncccc1C)O[C@@H](C)C2 ZINC000019532404 569345702 /nfs/dbraw/zinc/34/57/02/569345702.db2.gz BFYBZZJOIJMOCL-QVRAPZSPSA-N 1 1 422.569 4.232 40 0 HIABMO CCn1c(C[N@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)nc2ccccc21 ZINC000019704535 569347712 /nfs/dbraw/zinc/34/77/12/569347712.db2.gz QLIIUPSJZWAARZ-QGZVFWFLSA-N 1 1 419.504 4.487 40 0 HIABMO CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038855534 569351840 /nfs/dbraw/zinc/35/18/40/569351840.db2.gz ZSCCURZRPZVYGS-HKUYNNGSSA-N 1 1 411.521 4.205 40 0 HIABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856812 569352045 /nfs/dbraw/zinc/35/20/45/569352045.db2.gz RFTBGQRLBRTJPD-PZJWPPBQSA-N 1 1 414.521 4.322 40 0 HIABMO CN(CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000044916812 522842918 /nfs/dbraw/zinc/84/29/18/522842918.db2.gz APHCAOIAYKVASE-UHFFFAOYSA-N 1 1 420.384 4.458 40 0 HIABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2c[nH]cc3c(Cl)nnc2-3)s1 ZINC000043277897 524405271 /nfs/dbraw/zinc/40/52/71/524405271.db2.gz YGHIGDSGZQZLMZ-UHFFFAOYSA-N 1 1 400.939 4.270 40 0 HIABMO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044855718 525552834 /nfs/dbraw/zinc/55/28/34/525552834.db2.gz ATWXOHXVFYJSAD-NRFANRHFSA-N 1 1 405.498 4.281 40 0 HIABMO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cn3cc[nH+]c3C)cc1)CC(C)(C)O2 ZINC000044855575 525586942 /nfs/dbraw/zinc/58/69/42/525586942.db2.gz ZCPKSLRNZQOYDH-OAQYLSRUSA-N 1 1 405.498 4.281 40 0 HIABMO COc1cccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044906792 525890176 /nfs/dbraw/zinc/89/01/76/525890176.db2.gz LCRCFCWCGTZDQT-FQEVSTJZSA-N 1 1 400.950 4.310 40 0 HIABMO O=C(NCCSCc1ccccc1F)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044909079 526373865 /nfs/dbraw/zinc/37/38/65/526373865.db2.gz ZKYLJTDRVZJPFD-SFHVURJKSA-N 1 1 404.526 4.226 40 0 HIABMO CC[NH+]1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2)CC1 ZINC000408571251 557468619 /nfs/dbraw/zinc/46/86/19/557468619.db2.gz AQVLDLDBYWLQLH-UHFFFAOYSA-N 1 1 419.388 4.341 40 0 HIABMO Cc1nc([C@H]2CCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743193 558263567 /nfs/dbraw/zinc/26/35/67/558263567.db2.gz WCHAJEGFUBLJIH-OAQYLSRUSA-N 1 1 408.521 4.483 40 0 HIABMO COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@H+](C4CCCC4)C2)nc3C)cc1 ZINC000019744487 558264990 /nfs/dbraw/zinc/26/49/90/558264990.db2.gz GBGOMOLKFHERBX-LJQANCHMSA-N 1 1 420.557 4.005 40 0 HIABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccnc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753154 558272280 /nfs/dbraw/zinc/27/22/80/558272280.db2.gz SYHOZNMPBNNDEE-KRWDZBQOSA-N 1 1 407.905 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ZINC000257267543 568795004 /nfs/dbraw/zinc/79/50/04/568795004.db2.gz MHSJAUXIDAGDGV-JOCHJYFZSA-N 1 1 406.574 4.028 40 0 HIABMO Fc1ccc(Nc2ccc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)nc2)nc1 ZINC000257305590 568806152 /nfs/dbraw/zinc/80/61/52/568806152.db2.gz SQQZCDPCFMHRFB-QHCPKHFHSA-N 1 1 415.472 4.481 40 0 HIABMO Fc1ccc(Nc2ccc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)nc2)nc1 ZINC000257305590 568806153 /nfs/dbraw/zinc/80/61/53/568806153.db2.gz SQQZCDPCFMHRFB-QHCPKHFHSA-N 1 1 415.472 4.481 40 0 HIABMO CCN(C(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)c1cccc(C)c1 ZINC000257310489 568807476 /nfs/dbraw/zinc/80/74/76/568807476.db2.gz UFHBRAKZQQVDHR-AOYPEHQESA-N 1 1 422.569 4.188 40 0 HIABMO CCN(C(=O)C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)c1cccc(C)c1 ZINC000257310489 568807478 /nfs/dbraw/zinc/80/74/78/568807478.db2.gz UFHBRAKZQQVDHR-AOYPEHQESA-N 1 1 422.569 4.188 40 0 HIABMO C[C@@H](NC(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000257318632 568810038 /nfs/dbraw/zinc/81/00/38/568810038.db2.gz VOUHGWMSRMOEPJ-LJQANCHMSA-N 1 1 415.541 4.277 40 0 HIABMO COc1cccc(-c2cncc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257330749 568813377 /nfs/dbraw/zinc/81/33/77/568813377.db2.gz XPSGOPOQZXPGDI-RUZDIDTESA-N 1 1 412.493 4.274 40 0 HIABMO COc1cccc(-c2cncc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257330749 568813378 /nfs/dbraw/zinc/81/33/78/568813378.db2.gz XPSGOPOQZXPGDI-RUZDIDTESA-N 1 1 412.493 4.274 40 0 HIABMO c1csc(C[N@@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306126399 568889157 /nfs/dbraw/zinc/88/91/57/568889157.db2.gz DUMMLRMWNWBANN-QFIPXVFZSA-N 1 1 421.614 4.265 40 0 HIABMO O=C(Nc1ccccc1)[C@@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)CC[C@H]2[N@H+]1CC1CC1 ZINC000306139405 568901445 /nfs/dbraw/zinc/90/14/45/568901445.db2.gz SWNIJFMKEYVFFV-PTUXOGIPSA-N 1 1 418.541 4.032 40 0 HIABMO COc1ncccc1C[N@H+]1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306143878 568905067 /nfs/dbraw/zinc/90/50/67/568905067.db2.gz YPGFWVZLQCFGTG-QGZVFWFLSA-N 1 1 405.527 4.241 40 0 HIABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329026231 568973505 /nfs/dbraw/zinc/97/35/05/568973505.db2.gz PKZODQFHSLEYLZ-UHFFFAOYSA-N 1 1 414.509 4.315 40 0 HIABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329026231 568973507 /nfs/dbraw/zinc/97/35/07/568973507.db2.gz PKZODQFHSLEYLZ-UHFFFAOYSA-N 1 1 414.509 4.315 40 0 HIABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CC=CCC4)[nH]c(=O)c3C2)CC1 ZINC000248121637 569316413 /nfs/dbraw/zinc/31/64/13/569316413.db2.gz SDETYPROWHVNFW-JLHLRHAYSA-N 1 1 424.589 4.139 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)cc1 ZINC000012408195 569344841 /nfs/dbraw/zinc/34/48/41/569344841.db2.gz KKFFWSRPMWWKBY-TZIWHRDSSA-N 1 1 413.587 4.411 40 0 HIABMO Cc1nc([C@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705199 569347826 /nfs/dbraw/zinc/34/78/26/569347826.db2.gz SBDXKVRDZAKSCU-NRFANRHFSA-N 1 1 408.514 4.392 40 0 HIABMO CCC[N@H+]1CCC[C@](O)(c2nc(C)c(CCOc3ccc(F)c(F)c3)s2)CC1 ZINC000019705441 569348005 /nfs/dbraw/zinc/34/80/05/569348005.db2.gz UCJSGSZMQOBXSV-OAQYLSRUSA-N 1 1 410.530 4.435 40 0 HIABMO COc1ccc(OCCc2sc([C@]3(O)CCC[N@@H+](CC4CC4)CC3)nc2C)cc1 ZINC000019738678 569348550 /nfs/dbraw/zinc/34/85/50/569348550.db2.gz JCZXOHUKIGSKCC-QHCPKHFHSA-N 1 1 416.587 4.165 40 0 HIABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cc4ccccc4o3)n2)cn1 ZINC000035425242 291264369 /nfs/dbraw/zinc/26/43/69/291264369.db2.gz MTZLTYIMMKAXRT-IBGZPJMESA-N 1 1 419.485 4.273 40 0 biogenic,in-vitro HIABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cc4ccccc4o3)n2)cn1 ZINC000035425242 291264370 /nfs/dbraw/zinc/26/43/70/291264370.db2.gz MTZLTYIMMKAXRT-IBGZPJMESA-N 1 1 419.485 4.273 40 0 biogenic,in-vitro HIABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccccc5F)c43)C2)cc1 ZINC000008300314 291266330 /nfs/dbraw/zinc/26/63/30/291266330.db2.gz PSQJECJVHQOCRO-RBUKOAKNSA-N 1 1 404.485 4.282 40 0 biogenic,in-vitro HIABMO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@H]2COCc3nc4ccccc4n32)n1 ZINC000096112411 291268476 /nfs/dbraw/zinc/26/84/76/291268476.db2.gz GKFIZYPJJQMPOI-QFIPXVFZSA-N 1 1 413.525 4.217 40 0 biogenic,in-vitro HIABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CC2CCCCC2)C1)C1CCCCC1 ZINC000004236216 291269673 /nfs/dbraw/zinc/26/96/73/291269673.db2.gz UWYARILCNRFTDU-PZJWPPBQSA-N 1 1 411.590 4.367 40 0 biogenic,in-vitro HIABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856809 522496943 /nfs/dbraw/zinc/49/69/43/522496943.db2.gz RFTBGQRLBRTJPD-CTNGQTDRSA-N 1 1 414.521 4.322 40 0 HIABMO COc1ccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1OC ZINC000044845943 524066225 /nfs/dbraw/zinc/06/62/25/524066225.db2.gz JQYQBTYACCMMQE-UHFFFAOYSA-N 1 1 416.521 4.192 40 0 HIABMO Cc1cccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)c1 ZINC000001441583 557264635 /nfs/dbraw/zinc/26/46/35/557264635.db2.gz RKUUTAOEPWKAOW-IBGZPJMESA-N 1 1 405.523 4.116 40 0 HIABMO Nc1ncnc2nc([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000019743259 558263824 /nfs/dbraw/zinc/26/38/24/558263824.db2.gz WNQTVFCSSCSBNS-MRXNPFEDSA-N 1 1 415.463 4.438 40 0 HIABMO Cc1nc([C@H]2CCC[N@H+](C3CCCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019744501 558264928 /nfs/dbraw/zinc/26/49/28/558264928.db2.gz QQGUKIXWPNTMNC-NRFANRHFSA-N 1 1 418.585 4.429 40 0 HIABMO COc1cc(C)ccc1C[NH+]1CCC(c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)CC1 ZINC000019744682 558265254 /nfs/dbraw/zinc/26/52/54/558265254.db2.gz UZXQWZGTYIYADL-UHFFFAOYSA-N 1 1 419.451 4.256 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](CC3CCCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019753116 558272221 /nfs/dbraw/zinc/27/22/21/558272221.db2.gz BNPHORCMKFPLJF-QFIPXVFZSA-N 1 1 406.574 4.475 40 0 HIABMO CCc1onc(C)c1C(=O)N1CCC[C@H](c2[nH+]c3ccccn3c2NC(C)(C)C)C1 ZINC000012088151 558322838 /nfs/dbraw/zinc/32/28/38/558322838.db2.gz NXHDCIKBBHCJDR-INIZCTEOSA-N 1 1 409.534 4.423 40 0 HIABMO CCOc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ncccc1C)CCC2 ZINC000012089091 558323541 /nfs/dbraw/zinc/32/35/41/558323541.db2.gz ZBNJQEGLWJJURY-XZQOPNAISA-N 1 1 406.570 4.397 40 0 HIABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2nc3ccccc3n2C(C)C)CC1 ZINC000012147585 558338376 /nfs/dbraw/zinc/33/83/76/558338376.db2.gz QJPXLZJFRXGNPV-UHFFFAOYSA-N 1 1 408.521 4.384 40 0 HIABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000039772453 558686337 /nfs/dbraw/zinc/68/63/37/558686337.db2.gz BOGGTJONLPIBIE-UHFFFAOYSA-N 1 1 404.869 4.116 40 0 HIABMO O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000030523681 558731699 /nfs/dbraw/zinc/73/16/99/558731699.db2.gz MDAKTABVZMNAAL-UHFFFAOYSA-N 1 1 407.341 4.075 40 0 HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000030941629 558745599 /nfs/dbraw/zinc/74/55/99/558745599.db2.gz HYWXCLJQXBWAPL-UHFFFAOYSA-N 1 1 402.498 4.118 40 0 HIABMO COc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000038834195 558817379 /nfs/dbraw/zinc/81/73/79/558817379.db2.gz JFWIVEWXAAJULF-UHFFFAOYSA-N 1 1 403.320 4.308 40 0 HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000038857227 558819342 /nfs/dbraw/zinc/81/93/42/558819342.db2.gz VVPBYBYWXOAARK-UHFFFAOYSA-N 1 1 408.933 4.164 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(F)c1 ZINC000019081883 558839988 /nfs/dbraw/zinc/83/99/88/558839988.db2.gz XLJLBMJSIJCIHN-XMSQKQJNSA-N 1 1 413.537 4.345 40 0 HIABMO CSc1ncc(C[N@@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cn1 ZINC000019120498 558842897 /nfs/dbraw/zinc/84/28/97/558842897.db2.gz HCUJQACLZKXZJP-PZJWPPBQSA-N 1 1 409.559 4.304 40 0 HIABMO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(-c3cccc(F)c3)c1)C2 ZINC000019291405 558863748 /nfs/dbraw/zinc/86/37/48/558863748.db2.gz MACXQOXSMUFQQI-OFFJZUQKSA-N 1 1 405.517 4.346 40 0 HIABMO O=C(C[NH+]1CCC(O)(Cn2cnc3ccccc32)CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000019376684 558882704 /nfs/dbraw/zinc/88/27/04/558882704.db2.gz XJIVNQJSZPQMSF-UHFFFAOYSA-N 1 1 421.585 4.039 40 0 HIABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000019400572 558883217 /nfs/dbraw/zinc/88/32/17/558883217.db2.gz AZGMSVIINPKKRZ-FDDCHVKYSA-N 1 1 422.479 4.138 40 0 HIABMO O=C(NCC[N@H+](Cc1ccc2ncccc2c1)Cc1ccccn1)c1cccs1 ZINC000057797312 558890438 /nfs/dbraw/zinc/89/04/38/558890438.db2.gz OTLJJZRDGOJANJ-UHFFFAOYSA-N 1 1 402.523 4.124 40 0 HIABMO O=C(NCC[N@@H+](Cc1ccc2ncccc2c1)Cc1ccccn1)c1cccs1 ZINC000057797312 558890439 /nfs/dbraw/zinc/89/04/39/558890439.db2.gz OTLJJZRDGOJANJ-UHFFFAOYSA-N 1 1 402.523 4.124 40 0 HIABMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000019454325 558891284 /nfs/dbraw/zinc/89/12/84/558891284.db2.gz ZSTWVWRWACVYEI-CQSZACIVSA-N 1 1 410.440 4.062 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503346 558900664 /nfs/dbraw/zinc/90/06/64/558900664.db2.gz YMTPBNDIYPESME-HSZRJFAPSA-N 1 1 414.553 4.057 40 0 HIABMO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019528744 558909946 /nfs/dbraw/zinc/90/99/46/558909946.db2.gz JEDDUQREYXKXEI-AREMUKBSSA-N 1 1 414.553 4.105 40 0 HIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000019529122 558910883 /nfs/dbraw/zinc/91/08/83/558910883.db2.gz AHDQQUVTOGMZHN-HHHXNRCGSA-N 1 1 413.565 4.362 40 0 HIABMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1ccc(OCCO)cc1)CC2 ZINC000019550689 558915174 /nfs/dbraw/zinc/91/51/74/558915174.db2.gz NDDLWNJPGNWCAB-SANMLTNESA-N 1 1 419.521 4.223 40 0 HIABMO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4ccncc4)C[C@@H]32)cc1 ZINC000019557785 558919757 /nfs/dbraw/zinc/91/97/57/558919757.db2.gz HAKVDULPCFQNEA-UBFVSLLYSA-N 1 1 419.569 4.097 40 0 HIABMO Cc1sc2c([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)[nH+]c(Nc3ccccc3)n2c1C ZINC000019561735 558922590 /nfs/dbraw/zinc/92/25/90/558922590.db2.gz SHWAWHGPRRQLEU-INIZCTEOSA-N 1 1 420.542 4.499 40 0 HIABMO COc1ccccc1C1(O)CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000019569266 558928316 /nfs/dbraw/zinc/92/83/16/558928316.db2.gz IMSGSUSRRFXJKP-UHFFFAOYSA-N 1 1 424.585 4.044 40 0 HIABMO COc1ccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1Cn1nc(C)cc1C ZINC000019574385 558931979 /nfs/dbraw/zinc/93/19/79/558931979.db2.gz ILWJAZSKDDIKIE-DEOSSOPVSA-N 1 1 420.557 4.133 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1Cn1nc(C)cc1C ZINC000019574385 558931980 /nfs/dbraw/zinc/93/19/80/558931980.db2.gz ILWJAZSKDDIKIE-DEOSSOPVSA-N 1 1 420.557 4.133 40 0 HIABMO O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000059332390 558934220 /nfs/dbraw/zinc/93/42/20/558934220.db2.gz BNHMPBWDSZAYDP-UHFFFAOYSA-N 1 1 414.549 4.357 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000019579546 558935125 /nfs/dbraw/zinc/93/51/25/558935125.db2.gz VWCJWCITUNUEAV-VWLOTQADSA-N 1 1 403.526 4.255 40 0 HIABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072344786 558941119 /nfs/dbraw/zinc/94/11/19/558941119.db2.gz ISVOKWBJQRYLAA-FQEVSTJZSA-N 1 1 406.505 4.201 40 0 HIABMO COc1ccccc1Cc1cccc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000072348876 558945508 /nfs/dbraw/zinc/94/55/08/558945508.db2.gz IAYBPTQGAKINGF-UHFFFAOYSA-N 1 1 421.585 4.309 40 0 HIABMO COc1cccc(CC[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000072351296 558947710 /nfs/dbraw/zinc/94/77/10/558947710.db2.gz WMHJNFNJQGRZOZ-LJQANCHMSA-N 1 1 411.546 4.168 40 0 HIABMO CCN(C(=O)C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(N)=O)C1)c1cccc(C)c1 ZINC000072352203 558948320 /nfs/dbraw/zinc/94/83/20/558948320.db2.gz NJESBDQUMLXGOQ-QGZVFWFLSA-N 1 1 421.566 4.151 40 0 HIABMO CCN(C(=O)C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(N)=O)C1)c1cccc(C)c1 ZINC000072352203 558948322 /nfs/dbraw/zinc/94/83/22/558948322.db2.gz NJESBDQUMLXGOQ-QGZVFWFLSA-N 1 1 421.566 4.151 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC000072352330 558948597 /nfs/dbraw/zinc/94/85/97/558948597.db2.gz FUDVQSORWZVBFH-HNNXBMFYSA-N 1 1 415.584 4.032 40 0 HIABMO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000072353756 558950914 /nfs/dbraw/zinc/95/09/14/558950914.db2.gz GIJDPOOHJHUNMM-GOSISDBHSA-N 1 1 412.541 4.301 40 0 HIABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000072354235 558951644 /nfs/dbraw/zinc/95/16/44/558951644.db2.gz WQKRPTWKIUUXGT-DEOSSOPVSA-N 1 1 416.569 4.339 40 0 HIABMO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NC2CCCCC2)n1 ZINC000072357694 558953515 /nfs/dbraw/zinc/95/35/15/558953515.db2.gz OEMJZXXOBVKUFA-HSZRJFAPSA-N 1 1 407.558 4.267 40 0 HIABMO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NC2CCCCC2)n1 ZINC000072357694 558953517 /nfs/dbraw/zinc/95/35/17/558953517.db2.gz OEMJZXXOBVKUFA-HSZRJFAPSA-N 1 1 407.558 4.267 40 0 HIABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)[nH]n2)cc1 ZINC000072371256 558957918 /nfs/dbraw/zinc/95/79/18/558957918.db2.gz RKWIUFLVNBDPDD-IBGZPJMESA-N 1 1 407.514 4.038 40 0 HIABMO COc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4cccc(OC)c4)C3)n[nH]2)cc1 ZINC000072371256 558957922 /nfs/dbraw/zinc/95/79/22/558957922.db2.gz RKWIUFLVNBDPDD-IBGZPJMESA-N 1 1 407.514 4.038 40 0 HIABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)n[nH]2)cc1 ZINC000072371256 558957925 /nfs/dbraw/zinc/95/79/25/558957925.db2.gz RKWIUFLVNBDPDD-IBGZPJMESA-N 1 1 407.514 4.038 40 0 HIABMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C1)CO2 ZINC000019688706 558958074 /nfs/dbraw/zinc/95/80/74/558958074.db2.gz VNNVJIKMUVUHCS-HXUWFJFHSA-N 1 1 416.525 4.146 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019689529 558959040 /nfs/dbraw/zinc/95/90/40/558959040.db2.gz NGKMMALLHYMWMI-HXUWFJFHSA-N 1 1 410.953 4.242 40 0 HIABMO COc1cccc(CC(=O)N2CCC[C@@H]2c2cc(Nc3ccccn3)cc(C)[nH+]2)c1 ZINC000072372537 558960190 /nfs/dbraw/zinc/96/01/90/558960190.db2.gz CIMGBBWAPALFPF-JOCHJYFZSA-N 1 1 402.498 4.443 40 0 HIABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)CCOc2ccccc2C)[nH+]1 ZINC000072372664 558960386 /nfs/dbraw/zinc/96/03/86/558960386.db2.gz NTULQSGTDCDVFA-OAQYLSRUSA-N 1 1 417.513 4.365 40 0 HIABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 ZINC000019691921 558961488 /nfs/dbraw/zinc/96/14/88/558961488.db2.gz ASWUCKQAQVZUTH-XMMPIXPASA-N 1 1 420.532 4.436 40 0 HIABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 ZINC000019691921 558961491 /nfs/dbraw/zinc/96/14/91/558961491.db2.gz ASWUCKQAQVZUTH-XMMPIXPASA-N 1 1 420.532 4.436 40 0 HIABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(Nc3nccs3)n1)OCCO2 ZINC000072375792 558964601 /nfs/dbraw/zinc/96/46/01/558964601.db2.gz QQPDDEODXNMOST-KRWDZBQOSA-N 1 1 424.526 4.399 40 0 HIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccc(Nc3nccs3)n1)OCCO2 ZINC000072375792 558964602 /nfs/dbraw/zinc/96/46/02/558964602.db2.gz QQPDDEODXNMOST-KRWDZBQOSA-N 1 1 424.526 4.399 40 0 HIABMO Cc1cc(N2CCO[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)nc(C)[nH+]1 ZINC000019697665 558965281 /nfs/dbraw/zinc/96/52/81/558965281.db2.gz NZHKVZWESXFCFS-QGZVFWFLSA-N 1 1 410.543 4.024 40 0 HIABMO COc1ccc2c(C[N@H+]3CCC[C@H]3c3cncc(Nc4ccccn4)n3)cn(C)c2c1 ZINC000072376408 558965662 /nfs/dbraw/zinc/96/56/62/558965662.db2.gz CTSPLHJDSMGYGF-NRFANRHFSA-N 1 1 414.513 4.453 40 0 HIABMO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ccccn1 ZINC000072380080 558968066 /nfs/dbraw/zinc/96/80/66/558968066.db2.gz GFBGYQDRVFJYRE-LJQANCHMSA-N 1 1 423.582 4.006 40 0 HIABMO Cc1nc2ccccn2c1C[N@@H+]1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072390998 558971019 /nfs/dbraw/zinc/97/10/19/558971019.db2.gz GIEIEXGQLUUYPW-DEOSSOPVSA-N 1 1 424.548 4.100 40 0 HIABMO Cc1nc2ccccn2c1C[N@H+]1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072390998 558971022 /nfs/dbraw/zinc/97/10/22/558971022.db2.gz GIEIEXGQLUUYPW-DEOSSOPVSA-N 1 1 424.548 4.100 40 0 HIABMO CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000072393977 558973332 /nfs/dbraw/zinc/97/33/32/558973332.db2.gz GXTNKOCEQXUJGN-UHFFFAOYSA-N 1 1 420.509 4.435 40 0 HIABMO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)cn1 ZINC000019711209 558973450 /nfs/dbraw/zinc/97/34/50/558973450.db2.gz KATYSBQQKOOQAF-QHCPKHFHSA-N 1 1 421.520 4.013 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)cn1 ZINC000019711209 558973453 /nfs/dbraw/zinc/97/34/53/558973453.db2.gz KATYSBQQKOOQAF-QHCPKHFHSA-N 1 1 421.520 4.013 40 0 HIABMO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)cn1 ZINC000019711208 558973467 /nfs/dbraw/zinc/97/34/67/558973467.db2.gz KATYSBQQKOOQAF-HSZRJFAPSA-N 1 1 421.520 4.013 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)cn1 ZINC000019711208 558973470 /nfs/dbraw/zinc/97/34/70/558973470.db2.gz KATYSBQQKOOQAF-HSZRJFAPSA-N 1 1 421.520 4.013 40 0 HIABMO COc1cccc(C[N@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1OC ZINC000072397156 558975647 /nfs/dbraw/zinc/97/56/47/558975647.db2.gz UBWBJGYYHRDTTP-AWEZNQCLSA-N 1 1 420.435 4.063 40 0 HIABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1 ZINC000072398566 558975903 /nfs/dbraw/zinc/97/59/03/558975903.db2.gz BJRBZQWKHCRGEZ-URXFXBBRSA-N 1 1 407.558 4.348 40 0 HIABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1 ZINC000072398567 558975967 /nfs/dbraw/zinc/97/59/67/558975967.db2.gz BJRBZQWKHCRGEZ-QPPBQGQZSA-N 1 1 407.558 4.348 40 0 HIABMO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000585099884 559024562 /nfs/dbraw/zinc/02/45/62/559024562.db2.gz QFLDCSZPPBJGCV-QFIPXVFZSA-N 1 1 403.473 4.117 40 0 HIABMO O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000585261331 559108808 /nfs/dbraw/zinc/10/88/08/559108808.db2.gz NWZQTNMDFMMOIP-ZONZVBGPSA-N 1 1 400.566 4.413 40 0 HIABMO O[C@]1(COc2ccc(F)c(F)c2)COCC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585282629 559120168 /nfs/dbraw/zinc/12/01/68/559120168.db2.gz LVYOJHIVUAEVFS-SKPFHBQLSA-N 1 1 417.496 4.133 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3cccc(NC(C)=O)c3)C2)cc1 ZINC000072358405 559186011 /nfs/dbraw/zinc/18/60/11/559186011.db2.gz GBSOHUSGUFPATI-NRFANRHFSA-N 1 1 416.525 4.490 40 0 HIABMO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257215663 559282740 /nfs/dbraw/zinc/28/27/40/559282740.db2.gz CRCZXVWSHBPQND-ZCYQVOJMSA-N 1 1 408.542 4.028 40 0 HIABMO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257215663 559282741 /nfs/dbraw/zinc/28/27/41/559282741.db2.gz CRCZXVWSHBPQND-ZCYQVOJMSA-N 1 1 408.542 4.028 40 0 HIABMO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@]1(C(=O)N(C)C)c1ccccn1 ZINC000257322360 559282995 /nfs/dbraw/zinc/28/29/95/559282995.db2.gz WFRQWNVTPKQSAZ-AREMUKBSSA-N 1 1 415.537 4.337 40 0 HIABMO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@]1(C(=O)N(C)C)c1ccccn1 ZINC000257322360 559282996 /nfs/dbraw/zinc/28/29/96/559282996.db2.gz WFRQWNVTPKQSAZ-AREMUKBSSA-N 1 1 415.537 4.337 40 0 HIABMO CC(=O)N1CC[N@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1c1ccccc1 ZINC000257284382 559285378 /nfs/dbraw/zinc/28/53/78/559285378.db2.gz PCLWMZXKUYWHHX-DEOSSOPVSA-N 1 1 401.510 4.066 40 0 HIABMO CC(=O)N1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1c1ccccc1 ZINC000257284382 559285380 /nfs/dbraw/zinc/28/53/80/559285380.db2.gz PCLWMZXKUYWHHX-DEOSSOPVSA-N 1 1 401.510 4.066 40 0 HIABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2OC)C1 ZINC000257288172 559285527 /nfs/dbraw/zinc/28/55/27/559285527.db2.gz PTEKYIBBFATKLI-AREMUKBSSA-N 1 1 415.537 4.037 40 0 HIABMO Cc1ccc(-c2noc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)n2)cc1 ZINC000219240077 568488383 /nfs/dbraw/zinc/48/83/83/568488383.db2.gz KJXWRDQIIYUXGK-GOSISDBHSA-N 1 1 404.514 4.207 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773451 568497727 /nfs/dbraw/zinc/49/77/27/568497727.db2.gz HKGRMKDWBQAIJM-UWJYYQICSA-N 1 1 417.575 4.030 40 0 HIABMO O=C(NCCOc1ccc(F)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224550293 568584732 /nfs/dbraw/zinc/58/47/32/568584732.db2.gz NXNWXBQQRRJLQB-UHFFFAOYSA-N 1 1 408.876 4.025 40 0 HIABMO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572618 568585867 /nfs/dbraw/zinc/58/58/67/568585867.db2.gz QTLRWHZQOXXWJO-DEOSSOPVSA-N 1 1 418.537 4.146 40 0 HIABMO COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000225457843 568639900 /nfs/dbraw/zinc/63/99/00/568639900.db2.gz BSVZWNVZRBWLTC-UHFFFAOYSA-N 1 1 414.918 4.107 40 0 HIABMO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225575542 568653054 /nfs/dbraw/zinc/65/30/54/568653054.db2.gz PZSXQIJGGOUGGG-UHFFFAOYSA-N 1 1 406.885 4.347 40 0 HIABMO Cc1nc2cc(C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)ccc2n1C ZINC000225893361 568683920 /nfs/dbraw/zinc/68/39/20/568683920.db2.gz IQSJEYQICIMDAV-UHFFFAOYSA-N 1 1 407.905 4.315 40 0 HIABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc(Cc2cccc(F)c2)nc1 ZINC000257206279 568777836 /nfs/dbraw/zinc/77/78/36/568777836.db2.gz BCRNDMWPXKHXMO-ONTNHIFESA-N 1 1 407.533 4.289 40 0 HIABMO Cc1ccccc1NC(=O)C[NH+]1CCC(c2ccnc(Nc3ccccn3)c2)CC1 ZINC000257223561 568783081 /nfs/dbraw/zinc/78/30/81/568783081.db2.gz DXXZKNSQBZYGBU-UHFFFAOYSA-N 1 1 401.514 4.347 40 0 HIABMO Cn1cc(C[N@@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)cn1 ZINC000257224071 568783347 /nfs/dbraw/zinc/78/33/47/568783347.db2.gz FAFAIYJJSVTIDR-ZJOUEHCJSA-N 1 1 420.479 4.203 40 0 HIABMO Cn1cc(C[N@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)cn1 ZINC000257224071 568783348 /nfs/dbraw/zinc/78/33/48/568783348.db2.gz FAFAIYJJSVTIDR-ZJOUEHCJSA-N 1 1 420.479 4.203 40 0 HIABMO Cc1cccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@@H]2Cc1ccccc1 ZINC000257235860 568786439 /nfs/dbraw/zinc/78/64/39/568786439.db2.gz GZWCHEFTWSTWEN-KDHQNNTKSA-N 1 1 403.570 4.479 40 0 HIABMO Cc1cccc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257238766 568787344 /nfs/dbraw/zinc/78/73/44/568787344.db2.gz HMLBLIRFFZEDLE-QFIPXVFZSA-N 1 1 420.601 4.383 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCC(C)CC4)on3)C2)c1 ZINC000257256781 568792002 /nfs/dbraw/zinc/79/20/02/568792002.db2.gz KMWMKWHADDSCOM-SKINQDTJSA-N 1 1 411.546 4.371 40 0 HIABMO Cn1c(C[NH+]2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)nc2ccccc21 ZINC000257288499 568801137 /nfs/dbraw/zinc/80/11/37/568801137.db2.gz PUKCYYKUMMIESX-FDDCHVKYSA-N 1 1 419.525 4.174 40 0 HIABMO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3N3CCCCC3)C[C@H]2c2cccc(F)c2)N1 ZINC000257299299 568804221 /nfs/dbraw/zinc/80/42/21/568804221.db2.gz RPMBTSZTYVRDBY-JYFHCDHNSA-N 1 1 421.560 4.454 40 0 HIABMO CN(C)Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257304436 568805874 /nfs/dbraw/zinc/80/58/74/568805874.db2.gz SLQQCYRLGIENPO-RUZDIDTESA-N 1 1 402.542 4.454 40 0 HIABMO CN(C)Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257304436 568805877 /nfs/dbraw/zinc/80/58/77/568805877.db2.gz SLQQCYRLGIENPO-RUZDIDTESA-N 1 1 402.542 4.454 40 0 HIABMO C[NH+](C)Cc1cccc([C@H]2CCCN2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257304436 568805878 /nfs/dbraw/zinc/80/58/78/568805878.db2.gz SLQQCYRLGIENPO-RUZDIDTESA-N 1 1 402.542 4.454 40 0 HIABMO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCC[C@]12C[N@@H+](CC(C)C)CCO2 ZINC000306134275 568896318 /nfs/dbraw/zinc/89/63/18/568896318.db2.gz NHMXAHPZZVWBPZ-YKSBVNFPSA-N 1 1 411.546 4.049 40 0 HIABMO Cc1ccc(C[N@@H+]2CCN(C)[C@@H](c3ncn4cc(-c5cccnc5)ccc34)C2)s1 ZINC000306134356 568896404 /nfs/dbraw/zinc/89/64/04/568896404.db2.gz NKTSNOOEQYKYLU-JOCHJYFZSA-N 1 1 403.555 4.255 40 0 HIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccco5)C4)nn3c2)c1OC ZINC000306141533 568903029 /nfs/dbraw/zinc/90/30/29/568903029.db2.gz VZIFZKSAAHMDEO-GOSISDBHSA-N 1 1 418.497 4.386 40 0 HIABMO CN1CC[N@H+](Cc2cccc(F)c2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306143595 568904823 /nfs/dbraw/zinc/90/48/23/568904823.db2.gz YGNHHOATXNKZJX-QHCPKHFHSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306143595 568904825 /nfs/dbraw/zinc/90/48/25/568904825.db2.gz YGNHHOATXNKZJX-QHCPKHFHSA-N 1 1 401.489 4.024 40 0 HIABMO Cc1cccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144385 568905831 /nfs/dbraw/zinc/90/58/31/568905831.db2.gz ZDSRTJYVWFOHFL-WIOPSUGQSA-N 1 1 406.574 4.001 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000306144626 568906136 /nfs/dbraw/zinc/90/61/36/568906136.db2.gz ZKJFJXVTUWJDOA-RDGATRHJSA-N 1 1 424.589 4.089 40 0 HIABMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(C)c(C)sc2NC(=O)c2ccccc2)C1 ZINC000005644590 569255944 /nfs/dbraw/zinc/25/59/44/569255944.db2.gz RKUCZMWRYMFALR-SFHVURJKSA-N 1 1 400.544 4.392 40 0 HIABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@@H](NC(=O)[C@H]2CCCO2)c2ccccn2)C1 ZINC000248166473 569316608 /nfs/dbraw/zinc/31/66/08/569316608.db2.gz ONUZYKQENOTARR-CAJNAZHISA-N 1 1 419.569 4.233 40 0 HIABMO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009063735 569342495 /nfs/dbraw/zinc/34/24/95/569342495.db2.gz TZCMYZLDTIMKMJ-UHFFFAOYSA-N 1 1 404.913 4.358 40 0 HIABMO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009063684 569342538 /nfs/dbraw/zinc/34/25/38/569342538.db2.gz ZPEQZVUHTMUFPJ-UHFFFAOYSA-N 1 1 418.896 4.425 40 0 HIABMO Cc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)OCO2 ZINC000019125549 569345284 /nfs/dbraw/zinc/34/52/84/569345284.db2.gz RYMUHRDIRPYMPK-WZONZLPQSA-N 1 1 423.557 4.234 40 0 HIABMO CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+]1Cc1ccncc1 ZINC000019696551 569346806 /nfs/dbraw/zinc/34/68/06/569346806.db2.gz HDESBDZBYBNQFA-RUZDIDTESA-N 1 1 418.541 4.182 40 0 HIABMO COc1ccc(OCc2sc([C@@]3(O)CCC[N@@H+](CC4CC4)CC3)nc2C)cc1 ZINC000019705166 569347831 /nfs/dbraw/zinc/34/78/31/569347831.db2.gz VZLQLXPZTJUNFU-JOCHJYFZSA-N 1 1 402.560 4.123 40 0 HIABMO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3[N@H+]2Cc2ccc3[nH]ccc3c2)cc1 ZINC000019711733 569348216 /nfs/dbraw/zinc/34/82/16/569348216.db2.gz XJCONVHSHAHQJR-IEZKXTBUSA-N 1 1 417.553 4.421 40 0 HIABMO Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044852457 569351964 /nfs/dbraw/zinc/35/19/64/569351964.db2.gz CPXDLIPEINJTDC-QUCCMNQESA-N 1 1 400.950 4.444 40 0 HIABMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000019454323 132467387 /nfs/dbraw/zinc/46/73/87/132467387.db2.gz ZSTWVWRWACVYEI-AWEZNQCLSA-N 1 1 410.440 4.062 40 0 HIABMO COc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044906991 523936531 /nfs/dbraw/zinc/93/65/31/523936531.db2.gz NWTGZNPIHOBRFE-HXUWFJFHSA-N 1 1 400.950 4.310 40 0 HIABMO COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@H]2C)OCO4)c1OC ZINC000073334479 524190837 /nfs/dbraw/zinc/19/08/37/524190837.db2.gz QUAKHYXKSRPYCZ-BQNIGPCOSA-N 1 1 411.498 4.405 40 0 HIABMO O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044938242 527223603 /nfs/dbraw/zinc/22/36/03/527223603.db2.gz OMIWIMKFPXGALM-GOSISDBHSA-N 1 1 411.933 4.318 40 0 HIABMO O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044938239 527224123 /nfs/dbraw/zinc/22/41/23/527224123.db2.gz OMIWIMKFPXGALM-SFHVURJKSA-N 1 1 411.933 4.318 40 0 HIABMO Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C[N@H+](C)C3CCCCC3)cc2c1 ZINC000000891971 557112319 /nfs/dbraw/zinc/11/23/19/557112319.db2.gz PDYFZOSNDDAYQO-UHFFFAOYSA-N 1 1 421.541 4.223 40 0 HIABMO CC[NH+]1CCN(C(=S)c2cccc(OC)c2OCc2ccccc2Cl)CC1 ZINC000408573252 557475819 /nfs/dbraw/zinc/47/58/19/557475819.db2.gz JLJMGSPNMBHXNX-UHFFFAOYSA-N 1 1 404.963 4.241 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000006458281 557703609 /nfs/dbraw/zinc/70/36/09/557703609.db2.gz ZTMSRWLYQRFLAO-DEOSSOPVSA-N 1 1 406.570 4.389 40 0 HIABMO CCCn1ncc2ccc([C@H]3CCC[N@@H+](Cc4c(C)nc5cc(C)ccn54)C3)nc21 ZINC000019742502 558262980 /nfs/dbraw/zinc/26/29/80/558262980.db2.gz LHSUSQIYFLWZBI-FQEVSTJZSA-N 1 1 402.546 4.485 40 0 HIABMO COc1ccc2cnc(C3CC[NH+](CC(=O)C[C@H](C)n4ccnc4)CC3)cc2c1C ZINC000012143555 558335415 /nfs/dbraw/zinc/33/54/15/558335415.db2.gz RGUCMONJMVEXEF-KRWDZBQOSA-N 1 1 406.530 4.148 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)c1 ZINC000012329752 558384541 /nfs/dbraw/zinc/38/45/41/558384541.db2.gz MBEYJADLCDYADA-NQIIRXRSSA-N 1 1 418.459 4.451 40 0 HIABMO CCCCOc1ccc2[nH]c(C)c(CN3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000022469072 558491410 /nfs/dbraw/zinc/49/14/10/558491410.db2.gz XVGCSZFLYPGSHG-UHFFFAOYSA-N 1 1 419.569 4.333 40 0 HIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000022913717 558520543 /nfs/dbraw/zinc/52/05/43/558520543.db2.gz LDOKFAAHBCIWKS-JOCHJYFZSA-N 1 1 403.530 4.150 40 0 HIABMO O[C@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000028615019 558702377 /nfs/dbraw/zinc/70/23/77/558702377.db2.gz HWYVRTQQYWZTOG-QFIPXVFZSA-N 1 1 412.549 4.435 40 0 HIABMO CCc1nnc(-c2ccc(OC)c(NC(=O)[C@@H](c3ccccc3)[NH+]3CCCCC3)c2)o1 ZINC000036752414 558802776 /nfs/dbraw/zinc/80/27/76/558802776.db2.gz BYJAWXCKSKJUAQ-JOCHJYFZSA-N 1 1 420.513 4.473 40 0 HIABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000038834462 558817624 /nfs/dbraw/zinc/81/76/24/558817624.db2.gz XVGUOUVSDDEGDR-GOSISDBHSA-N 1 1 400.906 4.367 40 0 HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000038854997 558819231 /nfs/dbraw/zinc/81/92/31/558819231.db2.gz DVGIQLNQLMVMMA-UHFFFAOYSA-N 1 1 424.504 4.422 40 0 HIABMO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]32)c1 ZINC000019235243 558854344 /nfs/dbraw/zinc/85/43/44/558854344.db2.gz UDUGSONFTAEPSX-UBFVSLLYSA-N 1 1 403.570 4.397 40 0 HIABMO COc1c(C)cccc1C[N@H+]1CC[C@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 ZINC000019235913 558854974 /nfs/dbraw/zinc/85/49/74/558854974.db2.gz XZSQHAVFXHEFDN-HNNXBMFYSA-N 1 1 404.436 4.363 40 0 HIABMO COc1c(C)cccc1C[N@H+]1CC[C@@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 ZINC000019235912 558854982 /nfs/dbraw/zinc/85/49/82/558854982.db2.gz XZSQHAVFXHEFDN-OAHLLOKOSA-N 1 1 404.436 4.363 40 0 HIABMO c1[nH]nc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371074 558879035 /nfs/dbraw/zinc/87/90/35/558879035.db2.gz KDOCGIQKKTYYDL-OAQYLSRUSA-N 1 1 416.573 4.279 40 0 HIABMO CC(C)CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019446684 558886478 /nfs/dbraw/zinc/88/64/78/558886478.db2.gz BLXRFDMMKNNLFF-QHCPKHFHSA-N 1 1 401.501 4.475 40 0 HIABMO CCC(=O)Nc1cc([C@@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C)ccc1OC ZINC000019499309 558897518 /nfs/dbraw/zinc/89/75/18/558897518.db2.gz NIGKHVSYIHGVFF-BTYIYWSLSA-N 1 1 407.514 4.178 40 0 HIABMO CCC(=O)Nc1cc([C@@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C)ccc1OC ZINC000019499309 558897519 /nfs/dbraw/zinc/89/75/19/558897519.db2.gz NIGKHVSYIHGVFF-BTYIYWSLSA-N 1 1 407.514 4.178 40 0 HIABMO CCc1ncc(C[N@H+]2CCC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523364 558904747 /nfs/dbraw/zinc/90/47/47/558904747.db2.gz YPVUQEGZTVVTEJ-AREMUKBSSA-N 1 1 414.553 4.016 40 0 HIABMO CCn1nc(C(C)C)cc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C ZINC000019524136 558905493 /nfs/dbraw/zinc/90/54/93/558905493.db2.gz SPGUMXWNSXCQPC-UHFFFAOYSA-N 1 1 408.550 4.151 40 0 HIABMO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019528747 558909989 /nfs/dbraw/zinc/90/99/89/558909989.db2.gz ZMIJDFOIXHNISD-VWLOTQADSA-N 1 1 418.541 4.006 40 0 HIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019529160 558910843 /nfs/dbraw/zinc/91/08/43/558910843.db2.gz QGFRUGZDCMMAFN-XMMPIXPASA-N 1 1 405.567 4.381 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(C(=O)Nc4ccccc4OC)on3)C2)cc1 ZINC000019555186 558918350 /nfs/dbraw/zinc/91/83/50/558918350.db2.gz FAKFWUYJRUDOOT-SFHVURJKSA-N 1 1 421.497 4.324 40 0 HIABMO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)no2)c1 ZINC000019565571 558925458 /nfs/dbraw/zinc/92/54/58/558925458.db2.gz LMYPENSFIBVOEW-FQEVSTJZSA-N 1 1 411.546 4.373 40 0 HIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@H](NC(=O)C2CCC2)c2ccccn2)C1 ZINC000072330570 558934975 /nfs/dbraw/zinc/93/49/75/558934975.db2.gz DFYFKYDNKVXCGW-RDPSFJRHSA-N 1 1 407.558 4.268 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c(F)c1 ZINC000019584578 558938638 /nfs/dbraw/zinc/93/86/38/558938638.db2.gz AHIWRZPWKNYFIJ-IBGZPJMESA-N 1 1 421.520 4.132 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345547 558942007 /nfs/dbraw/zinc/94/20/07/558942007.db2.gz AABPBTGUUAQFAZ-OAQYLSRUSA-N 1 1 418.516 4.234 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352537 558948963 /nfs/dbraw/zinc/94/89/63/558948963.db2.gz RXCNTQHRWDWSPC-HNNXBMFYSA-N 1 1 404.539 4.137 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000072359065 558954698 /nfs/dbraw/zinc/95/46/98/558954698.db2.gz SVYQFQNTLKRGIJ-KRWDZBQOSA-N 1 1 401.436 4.276 40 0 HIABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1cccnc1N(C)C ZINC000072370492 558956977 /nfs/dbraw/zinc/95/69/77/558956977.db2.gz JYWXEGMVOJQALV-GOSISDBHSA-N 1 1 422.598 4.319 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000072370670 558957229 /nfs/dbraw/zinc/95/72/29/558957229.db2.gz ILQUHHNTPKQDAB-GOSISDBHSA-N 1 1 400.588 4.475 40 0 HIABMO NC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000019697727 558965547 /nfs/dbraw/zinc/96/55/47/558965547.db2.gz FTNVRVSSSUBQFX-LJQANCHMSA-N 1 1 403.507 4.122 40 0 HIABMO NC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000019697727 558965549 /nfs/dbraw/zinc/96/55/49/558965549.db2.gz FTNVRVSSSUBQFX-LJQANCHMSA-N 1 1 403.507 4.122 40 0 HIABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000072376674 558966192 /nfs/dbraw/zinc/96/61/92/558966192.db2.gz SJFQZDRYIPGKCN-GOSISDBHSA-N 1 1 420.536 4.165 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072394044 558973270 /nfs/dbraw/zinc/97/32/70/558973270.db2.gz VSOIJYRAHTZYTN-VWLOTQADSA-N 1 1 419.525 4.433 40 0 HIABMO COc1cccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c1OC1CCCC1 ZINC000072395310 558974093 /nfs/dbraw/zinc/97/40/93/558974093.db2.gz RBWSMNWIWNEKIG-BORKOYIJSA-N 1 1 422.569 4.450 40 0 HIABMO C[C@H](C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000072398643 558976270 /nfs/dbraw/zinc/97/62/70/558976270.db2.gz AOUGWCHXBKCHMN-KJWPAHLWSA-N 1 1 414.553 4.463 40 0 HIABMO O=C(Cc1cccc(O)c1)N1CCC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100293 559023888 /nfs/dbraw/zinc/02/38/88/559023888.db2.gz AMVTVFBEEUSDEH-XMMPIXPASA-N 1 1 414.496 4.260 40 0 HIABMO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@@H+](Cc2ccc(F)cc2F)CC3)cs1 ZINC000585100585 559024208 /nfs/dbraw/zinc/02/42/08/559024208.db2.gz ORJUDPVWHYZPIK-OAQYLSRUSA-N 1 1 405.514 4.277 40 0 HIABMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccccc3)CC2)nc2ccccn12 ZINC000585099962 559024532 /nfs/dbraw/zinc/02/45/32/559024532.db2.gz BJGIWFGGJXOPCC-RUZDIDTESA-N 1 1 402.542 4.190 40 0 HIABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@H+]4C[C@@H]4CCCO4)CC3)oc21 ZINC000585100854 559025532 /nfs/dbraw/zinc/02/55/32/559025532.db2.gz ZAXHYZFIEGOQGA-CYFREDJKSA-N 1 1 412.530 4.081 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000585165366 559066402 /nfs/dbraw/zinc/06/64/02/559066402.db2.gz IFXMMDTXWUIWGZ-OAQYLSRUSA-N 1 1 418.541 4.070 40 0 HIABMO CC(C)[NH+]1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccccc5)n4)c3c2)CC1 ZINC000096062742 559094229 /nfs/dbraw/zinc/09/42/29/559094229.db2.gz XRHUJSHFBQHLER-UHFFFAOYSA-N 1 1 416.481 4.316 40 0 HIABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000585261972 559109640 /nfs/dbraw/zinc/10/96/40/559109640.db2.gz XAXHMZXDCSSXRH-VWLOTQADSA-N 1 1 403.501 4.168 40 0 HIABMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)c(C)c1 ZINC000257278816 559285230 /nfs/dbraw/zinc/28/52/30/559285230.db2.gz ODTYTOSCYMLFIT-HSZRJFAPSA-N 1 1 406.526 4.149 40 0 HIABMO COc1cccc(-c2cncc([C@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)n2)c1 ZINC000257293344 559285727 /nfs/dbraw/zinc/28/57/27/559285727.db2.gz QPCKIOICTBVFHY-RUZDIDTESA-N 1 1 414.509 4.217 40 0 HIABMO COc1cccc(-c2cncc([C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)n2)c1 ZINC000257293344 559285728 /nfs/dbraw/zinc/28/57/28/559285728.db2.gz QPCKIOICTBVFHY-RUZDIDTESA-N 1 1 414.509 4.217 40 0 HIABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](CC4CCCC4)C[C@H]2N(C)C3=O)c1 ZINC000514289308 560032990 /nfs/dbraw/zinc/03/29/90/560032990.db2.gz HTMFWSHKBCBWIA-VWNXMTODSA-N 1 1 406.526 4.070 40 0 biogenic,in-vitro HIABMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@@H]2CCCO2)cc1O ZINC000000904265 560544985 /nfs/dbraw/zinc/54/49/85/560544985.db2.gz DYMXLMFWFRIHKQ-AWEZNQCLSA-N 1 1 418.291 4.069 40 0 HIABMO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002427278 560559997 /nfs/dbraw/zinc/55/99/97/560559997.db2.gz CUOHIKCCHYWTHC-MCMMXHMISA-N 1 1 417.937 4.447 40 0 HIABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2Cl)CC1 ZINC000017088099 560863038 /nfs/dbraw/zinc/86/30/38/560863038.db2.gz VXPSVOPAJLSYAG-UHFFFAOYSA-N 1 1 408.727 4.107 40 0 HIABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000216308437 568464358 /nfs/dbraw/zinc/46/43/58/568464358.db2.gz TUWVHCNHKOIZHA-UHFFFAOYSA-N 1 1 410.326 4.107 40 0 HIABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1c2cc(C)cnc2[nH]c1C(C)C ZINC000057773802 568497303 /nfs/dbraw/zinc/49/73/03/568497303.db2.gz IAWCCBDOCIWOIM-GOSISDBHSA-N 1 1 411.546 4.265 40 0 HIABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)OCCO2 ZINC000222732621 568525053 /nfs/dbraw/zinc/52/50/53/568525053.db2.gz GWRWFYIAYFQKHY-VQIMIIECSA-N 1 1 414.933 4.201 40 0 HIABMO O=S(=O)(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)cc1 ZINC000222986178 568533238 /nfs/dbraw/zinc/53/32/38/568533238.db2.gz MBNBEGJGNQZQCJ-UHFFFAOYSA-N 1 1 410.326 4.322 40 0 HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000225300215 568628691 /nfs/dbraw/zinc/62/86/91/568628691.db2.gz VWSAKSLRVOGYED-UHFFFAOYSA-N 1 1 421.888 4.215 40 0 HIABMO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225582887 568654101 /nfs/dbraw/zinc/65/41/01/568654101.db2.gz RUQXIVICMCHFDD-UHFFFAOYSA-N 1 1 404.913 4.406 40 0 HIABMO CCOC(=O)c1cc(NC(=S)NCCC[N@H+]2CCCC[C@@H]2CC)ccc1Cl ZINC000225583140 568654358 /nfs/dbraw/zinc/65/43/58/568654358.db2.gz YOGVCRAMJSOSEI-INIZCTEOSA-N 1 1 411.999 4.458 40 0 HIABMO CN(CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000225588291 568654934 /nfs/dbraw/zinc/65/49/34/568654934.db2.gz OHAQKAMUEOLBFN-UHFFFAOYSA-N 1 1 417.956 4.334 40 0 HIABMO CN(C)C(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225588714 568655024 /nfs/dbraw/zinc/65/50/24/568655024.db2.gz YEBDZTDLWRDZNW-UHFFFAOYSA-N 1 1 417.912 4.032 40 0 HIABMO CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904520 568684860 /nfs/dbraw/zinc/68/48/60/568684860.db2.gz CURIGRZCAHNOFQ-IBGZPJMESA-N 1 1 414.933 4.296 40 0 HIABMO CCc1ncc(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)cn1 ZINC000257205786 568777744 /nfs/dbraw/zinc/77/77/44/568777744.db2.gz BANRMQIQVZJSRC-QGZVFWFLSA-N 1 1 408.571 4.381 40 0 HIABMO CNc1cc(C)nc([C@@]2(C)CCC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257291650 568802034 /nfs/dbraw/zinc/80/20/34/568802034.db2.gz QHZRSQHWFCTBLP-VWLOTQADSA-N 1 1 417.557 4.354 40 0 HIABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257308674 568807165 /nfs/dbraw/zinc/80/71/65/568807165.db2.gz TXRFFXANAYVACA-FQEVSTJZSA-N 1 1 424.564 4.213 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257334187 568814407 /nfs/dbraw/zinc/81/44/07/568814407.db2.gz YEXJBHMNVPVCKZ-LJQANCHMSA-N 1 1 412.921 4.432 40 0 HIABMO CC(=O)c1ccccc1OC[C@H](O)C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000027228788 568866290 /nfs/dbraw/zinc/86/62/90/568866290.db2.gz OHPSWRGGGLYOPS-XMMPIXPASA-N 1 1 403.522 4.374 40 0 HIABMO C[NH+]1CCC(n2ncc3c2-c2ccccc2OC32CCN(Cc3ccco3)CC2)CC1 ZINC000306135750 568897674 /nfs/dbraw/zinc/89/76/74/568897674.db2.gz OZRPDSFWUCFWSX-UHFFFAOYSA-N 1 1 418.541 4.294 40 0 HIABMO CCc1ccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306137426 568899329 /nfs/dbraw/zinc/89/93/29/568899329.db2.gz QVZMBQOTZORGJX-JYFHCDHNSA-N 1 1 420.601 4.255 40 0 HIABMO CCc1ccc(C[N@@H+]2CCO[C@@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)s1 ZINC000306142979 568904403 /nfs/dbraw/zinc/90/44/03/568904403.db2.gz XPQCBUQTFNXTOP-RXVVDRJESA-N 1 1 419.616 4.019 40 0 HIABMO CCc1ccc(C[N@H+]2CCO[C@@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)s1 ZINC000306142979 568904405 /nfs/dbraw/zinc/90/44/05/568904405.db2.gz XPQCBUQTFNXTOP-RXVVDRJESA-N 1 1 419.616 4.019 40 0 HIABMO Cc1cc(C)cc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144594 568906051 /nfs/dbraw/zinc/90/60/51/568906051.db2.gz ZJUOGLCXDSJIQH-BVAGGSTKSA-N 1 1 420.601 4.309 40 0 HIABMO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc(I)c2)C1 ZINC000003783033 569279154 /nfs/dbraw/zinc/27/91/54/569279154.db2.gz DUTJKDUWCSYNLM-OAHLLOKOSA-N 1 1 413.686 4.270 40 0 HIABMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc(I)c2)C1 ZINC000003783033 569279155 /nfs/dbraw/zinc/27/91/55/569279155.db2.gz DUTJKDUWCSYNLM-OAHLLOKOSA-N 1 1 413.686 4.270 40 0 HIABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cccc3c2C(=O)N(C)C3)cc1 ZINC000253602361 569318377 /nfs/dbraw/zinc/31/83/77/569318377.db2.gz NVTVUXPLEMAGKC-IEBWSBKVSA-N 1 1 405.542 4.045 40 0 HIABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000253608740 569318423 /nfs/dbraw/zinc/31/84/23/569318423.db2.gz PQCQHUOTAAACCV-DAYGRLMNSA-N 1 1 421.467 4.009 40 0 HIABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000253608740 569318424 /nfs/dbraw/zinc/31/84/24/569318424.db2.gz PQCQHUOTAAACCV-DAYGRLMNSA-N 1 1 421.467 4.009 40 0 HIABMO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009062751 569342269 /nfs/dbraw/zinc/34/22/69/569342269.db2.gz SYDLPMQSLHEELW-UHFFFAOYSA-N 1 1 418.940 4.449 40 0 HIABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)C1 ZINC000019014383 569345173 /nfs/dbraw/zinc/34/51/73/569345173.db2.gz ONUZYKQENOTARR-PNYDRXLNSA-N 1 1 419.569 4.233 40 0 HIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C2CCC2)c2ccccn2)C1 ZINC000019133390 569345299 /nfs/dbraw/zinc/34/52/99/569345299.db2.gz DFYFKYDNKVXCGW-HYBUGGRVSA-N 1 1 407.558 4.268 40 0 HIABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 ZINC000019704348 569347587 /nfs/dbraw/zinc/34/75/87/569347587.db2.gz QAQRNSUBMOVCRW-INIZCTEOSA-N 1 1 411.937 4.093 40 0 HIABMO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019704348 569347588 /nfs/dbraw/zinc/34/75/88/569347588.db2.gz QAQRNSUBMOVCRW-INIZCTEOSA-N 1 1 411.937 4.093 40 0 HIABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019704348 569347589 /nfs/dbraw/zinc/34/75/89/569347589.db2.gz QAQRNSUBMOVCRW-INIZCTEOSA-N 1 1 411.937 4.093 40 0 HIABMO CNc1ncccc1C[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(OC)cc1 ZINC000019713408 569348398 /nfs/dbraw/zinc/34/83/98/569348398.db2.gz GHRCRVUMQIQONW-RCZVLFRGSA-N 1 1 422.573 4.068 40 0 HIABMO Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713832 569348520 /nfs/dbraw/zinc/34/85/20/569348520.db2.gz SSSBCENXCNEIIA-PKTZIBPZSA-N 1 1 416.569 4.497 40 0 HIABMO CO[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000020238682 569349523 /nfs/dbraw/zinc/34/95/23/569349523.db2.gz BZWBEFDNXNICAZ-RUZDIDTESA-N 1 1 400.522 4.308 40 0 HIABMO CC[C@@H](C)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329068035 571309090 /nfs/dbraw/zinc/30/90/90/571309090.db2.gz YMZYHSNHPUFLFJ-CYBMUJFWSA-N 1 1 401.352 4.890 40 0 HIABMO CC[C@H](C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C2CC2)[nH+]1 ZINC000328980450 571309549 /nfs/dbraw/zinc/30/95/49/571309549.db2.gz GNQGPCGURUMYPS-ZDUSSCGKSA-N 1 1 406.452 5.026 40 0 HIABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cc6ccccc6s5)ccc43)C2)CC1 ZINC000020503205 575369207 /nfs/dbraw/zinc/36/92/07/575369207.db2.gz DFOMWIQWSKQHHH-PKOBYXMFSA-N 1 1 419.594 4.243 40 0 biogenic,in-vitro HIABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](Cc4cccc(Cl)c4)C3)nc2c1 ZINC000049169107 291263284 /nfs/dbraw/zinc/26/32/84/291263284.db2.gz LXCSWPGSYPJORW-HNNXBMFYSA-N 1 1 404.919 4.264 40 0 biogenic,in-vitro HIABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)nc2c1 ZINC000049169107 291263285 /nfs/dbraw/zinc/26/32/85/291263285.db2.gz LXCSWPGSYPJORW-HNNXBMFYSA-N 1 1 404.919 4.264 40 0 biogenic,in-vitro HIABMO C[N@H+](Cc1cc(CC2(NCc3ccccc3Cl)COC2)no1)Cc1ccccc1 ZINC000067898100 291263822 /nfs/dbraw/zinc/26/38/22/291263822.db2.gz SRAVQNQDYFYOCK-UHFFFAOYSA-N 1 1 411.933 4.061 40 0 biogenic,in-vitro HIABMO C[N@@H+](Cc1cc(CC2(NCc3ccccc3Cl)COC2)no1)Cc1ccccc1 ZINC000067898100 291263823 /nfs/dbraw/zinc/26/38/23/291263823.db2.gz SRAVQNQDYFYOCK-UHFFFAOYSA-N 1 1 411.933 4.061 40 0 biogenic,in-vitro HIABMO Fc1ccc(OCc2nnc([C@H]3CC[N@@H+](Cc4cnc5ccccc5c4)C3)o2)cc1 ZINC000049170375 291269037 /nfs/dbraw/zinc/26/90/37/291269037.db2.gz CSYAYHCHKGPCOE-SFHVURJKSA-N 1 1 404.445 4.325 40 0 biogenic,in-vitro HIABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856810 522761151 /nfs/dbraw/zinc/76/11/51/522761151.db2.gz RFTBGQRLBRTJPD-TZIWHRDSSA-N 1 1 414.521 4.322 40 0 HIABMO COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908463 524969967 /nfs/dbraw/zinc/96/99/67/524969967.db2.gz LCTBWTLRTGOEFU-PKOBYXMFSA-N 1 1 416.949 4.144 40 0 HIABMO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044908949 525422934 /nfs/dbraw/zinc/42/29/34/525422934.db2.gz RDURONQGKPHQTB-UHFFFAOYSA-N 1 1 400.522 4.362 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c2ccccc21 ZINC000072330566 527201795 /nfs/dbraw/zinc/20/17/95/527201795.db2.gz ZAWCIFMIKYXEES-CPJSRVTESA-N 1 1 416.569 4.443 40 0 HIABMO O=C([C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000002735041 557373918 /nfs/dbraw/zinc/37/39/18/557373918.db2.gz LRPAONHLJBPZIP-HSZRJFAPSA-N 1 1 420.553 4.109 40 0 HIABMO COc1ccccc1CN1C(=O)Cc2c1nc([C@@H]1CCC[N@H+](C3CCCC3)C1)nc2C ZINC000019744144 558264759 /nfs/dbraw/zinc/26/47/59/558264759.db2.gz VBTUBGVBBPGFBT-LJQANCHMSA-N 1 1 420.557 4.005 40 0 HIABMO CNC(=O)c1cc([C@H]2C[N@H+](Cc3oc4ccccc4c3C)CCO2)nc2ccccc21 ZINC000019762084 558276795 /nfs/dbraw/zinc/27/67/95/558276795.db2.gz YSSXDDICCURBOC-XMMPIXPASA-N 1 1 415.493 4.223 40 0 HIABMO CNC(=O)c1cc([C@H]2C[N@@H+](Cc3oc4ccccc4c3C)CCO2)nc2ccccc21 ZINC000019762084 558276798 /nfs/dbraw/zinc/27/67/98/558276798.db2.gz YSSXDDICCURBOC-XMMPIXPASA-N 1 1 415.493 4.223 40 0 HIABMO COc1ccc(C[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]2CCCO2)cc1OC ZINC000012116788 558328795 /nfs/dbraw/zinc/32/87/95/558328795.db2.gz NVDAFFYXVFSCKY-SFHVURJKSA-N 1 1 413.543 4.337 40 0 HIABMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@H]2CCCO2)c1 ZINC000012187516 558346574 /nfs/dbraw/zinc/34/65/74/558346574.db2.gz ZMIVTPOOLBXDLV-HSZRJFAPSA-N 1 1 424.541 4.012 40 0 HIABMO COc1ccc(OC)c(C[N@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@H]2CCCO2)c1 ZINC000012187516 558346576 /nfs/dbraw/zinc/34/65/76/558346576.db2.gz ZMIVTPOOLBXDLV-HSZRJFAPSA-N 1 1 424.541 4.012 40 0 HIABMO CC(C)c1ccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000023392155 558556401 /nfs/dbraw/zinc/55/64/01/558556401.db2.gz AJWMBTNNFQMOPD-UHFFFAOYSA-N 1 1 418.541 4.137 40 0 HIABMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000028220431 558693146 /nfs/dbraw/zinc/69/31/46/558693146.db2.gz VZYVJRQXNDGHKN-LJQANCHMSA-N 1 1 415.940 4.040 40 0 HIABMO CC(=O)c1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000035306953 558789693 /nfs/dbraw/zinc/78/96/93/558789693.db2.gz KEECMEYAPMBZSF-KKSHJYNMSA-N 1 1 409.599 4.481 40 0 HIABMO COC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3cc[nH+]c3C)cc1)CCCC2 ZINC000038857974 558819532 /nfs/dbraw/zinc/81/95/32/558819532.db2.gz PKAKKHVGQJDPGZ-UHFFFAOYSA-N 1 1 409.511 4.219 40 0 HIABMO O=C(C1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019014686 558836765 /nfs/dbraw/zinc/83/67/65/558836765.db2.gz LKPXNJAJTBWRRF-NRFANRHFSA-N 1 1 412.578 4.117 40 0 HIABMO CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019236186 558855355 /nfs/dbraw/zinc/85/53/55/558855355.db2.gz AJYORQFQAUDJRH-AREMUKBSSA-N 1 1 414.553 4.023 40 0 HIABMO O=C(c1ccncc1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019343546 558872492 /nfs/dbraw/zinc/87/24/92/558872492.db2.gz AGUKYIRUWYUFAR-NJDAHSKKSA-N 1 1 409.580 4.335 40 0 HIABMO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1OC(F)F ZINC000019348740 558874647 /nfs/dbraw/zinc/87/46/47/558874647.db2.gz MRAIZRPJNDLUOF-NHJWOMDBSA-N 1 1 413.468 4.196 40 0 HIABMO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cnc(-c3ccccc3C)nc2)CC1 ZINC000057822807 558890905 /nfs/dbraw/zinc/89/09/05/558890905.db2.gz KOQLPRYDKUWGMR-UHFFFAOYSA-N 1 1 418.516 4.219 40 0 HIABMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1)c1cc2cc(Cl)ccc2o1 ZINC000019458504 558892590 /nfs/dbraw/zinc/89/25/90/558892590.db2.gz ZSTLIDHLKKPAHT-HZPDHXFCSA-N 1 1 403.954 4.070 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503283 558900606 /nfs/dbraw/zinc/90/06/06/558900606.db2.gz MOJZLJGHVABVFP-DEOSSOPVSA-N 1 1 414.553 4.057 40 0 HIABMO CCc1oc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)cc1COC ZINC000019521505 558902868 /nfs/dbraw/zinc/90/28/68/558902868.db2.gz OOBCJXRSJWSEAH-UHFFFAOYSA-N 1 1 410.518 4.113 40 0 HIABMO CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019528757 558910191 /nfs/dbraw/zinc/91/01/91/558910191.db2.gz MUWSPICDBWVKFS-DEOSSOPVSA-N 1 1 422.598 4.110 40 0 HIABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019529161 558910849 /nfs/dbraw/zinc/91/08/49/558910849.db2.gz QGFRUGZDCMMAFN-DEOSSOPVSA-N 1 1 405.567 4.381 40 0 HIABMO COc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)c1 ZINC000019565417 558925426 /nfs/dbraw/zinc/92/54/26/558925426.db2.gz RYKNHOBVEGGWTO-VABKMULXSA-N 1 1 410.583 4.373 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c(F)c1 ZINC000072330388 558934566 /nfs/dbraw/zinc/93/45/66/558934566.db2.gz MOXYPZMOOYKHIW-CYFREDJKSA-N 1 1 413.537 4.345 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)n1 ZINC000072330493 558934863 /nfs/dbraw/zinc/93/48/63/558934863.db2.gz KGXLHKJEJKZVDI-OFVILXPXSA-N 1 1 414.553 4.477 40 0 HIABMO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019581462 558936933 /nfs/dbraw/zinc/93/69/33/558936933.db2.gz DUZWFXJIFBIHIG-GBXCKJPGSA-N 1 1 406.505 4.039 40 0 HIABMO Cc1nc(C2=CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CC2)nc(N2CCCC2)c1C ZINC000072339575 558938661 /nfs/dbraw/zinc/93/86/61/558938661.db2.gz GAYYZDIMSZNWCS-NRFANRHFSA-N 1 1 412.965 4.170 40 0 HIABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072344792 558941103 /nfs/dbraw/zinc/94/11/03/558941103.db2.gz OFMIXZMOKCSQLV-QFIPXVFZSA-N 1 1 402.542 4.104 40 0 HIABMO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+](CC(=O)NC4CCCCC4)C3)n2)c1 ZINC000072348874 558945487 /nfs/dbraw/zinc/94/54/87/558945487.db2.gz FCESZZOXTYJNCZ-OAQYLSRUSA-N 1 1 421.585 4.309 40 0 HIABMO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](CC(=O)NC4CCCCC4)C3)n2)c1 ZINC000072348874 558945488 /nfs/dbraw/zinc/94/54/88/558945488.db2.gz FCESZZOXTYJNCZ-OAQYLSRUSA-N 1 1 421.585 4.309 40 0 HIABMO O=C(c1sc2ccccc2c1[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000072352337 558948565 /nfs/dbraw/zinc/94/85/65/558948565.db2.gz ADVBVTOXURPZMH-HXUWFJFHSA-N 1 1 420.578 4.406 40 0 HIABMO COc1ccccc1OCCN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](C)C1 ZINC000072352581 558949257 /nfs/dbraw/zinc/94/92/57/558949257.db2.gz VSGPTYYCWGDIOP-QGZVFWFLSA-N 1 1 424.566 4.480 40 0 HIABMO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000072356129 558952918 /nfs/dbraw/zinc/95/29/18/558952918.db2.gz BWXFVGWYIZLBRC-LJQANCHMSA-N 1 1 419.491 4.267 40 0 HIABMO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000072356129 558952921 /nfs/dbraw/zinc/95/29/21/558952921.db2.gz BWXFVGWYIZLBRC-LJQANCHMSA-N 1 1 419.491 4.267 40 0 HIABMO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000072372455 558959954 /nfs/dbraw/zinc/95/99/54/558959954.db2.gz QHBBVIZLTCCXOA-HSZRJFAPSA-N 1 1 405.521 4.313 40 0 HIABMO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000072372455 558959955 /nfs/dbraw/zinc/95/99/55/558959955.db2.gz QHBBVIZLTCCXOA-HSZRJFAPSA-N 1 1 405.521 4.313 40 0 HIABMO O=C(C[NH+]1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1)Nc1ccc(F)cc1 ZINC000072374178 558961462 /nfs/dbraw/zinc/96/14/62/558961462.db2.gz WBTHFHJCHTUCNI-UHFFFAOYSA-N 1 1 423.467 4.317 40 0 HIABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)c1C ZINC000019693961 558961951 /nfs/dbraw/zinc/96/19/51/558961951.db2.gz VGIGGUUOYVMOPT-LJQANCHMSA-N 1 1 422.552 4.253 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 ZINC000019694070 558962306 /nfs/dbraw/zinc/96/23/06/558962306.db2.gz SVQAVONDFYBCSF-SFHVURJKSA-N 1 1 424.980 4.285 40 0 HIABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@H+](C)C4CCCCC4)nc32)c1 ZINC000019698640 558966226 /nfs/dbraw/zinc/96/62/26/558966226.db2.gz DOBFMMDIVHZIHE-UHFFFAOYSA-N 1 1 422.573 4.080 40 0 HIABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@@H+](C)C4CCCCC4)nc32)c1 ZINC000019698640 558966227 /nfs/dbraw/zinc/96/62/27/558966227.db2.gz DOBFMMDIVHZIHE-UHFFFAOYSA-N 1 1 422.573 4.080 40 0 HIABMO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ccncc1 ZINC000072380042 558968119 /nfs/dbraw/zinc/96/81/19/558968119.db2.gz LQFSZDFAJRZIJO-LJQANCHMSA-N 1 1 423.582 4.006 40 0 HIABMO CCc1ncc(C[N@H+]2CCC[C@@H](Cc3cc(Nc4ncc(C)s4)nc(C)n3)C2)cn1 ZINC000072383465 558969098 /nfs/dbraw/zinc/96/90/98/558969098.db2.gz GSOOVZVBWJUDTL-KRWDZBQOSA-N 1 1 423.590 4.101 40 0 HIABMO C[C@H](C[N@H+]1CCN(C)C(=O)[C@H](Cc2ccccc2-c2ccncc2)C1)c1ccccc1 ZINC000072388968 558969408 /nfs/dbraw/zinc/96/94/08/558969408.db2.gz XYROXZOIPUUQIU-PXDATVDWSA-N 1 1 413.565 4.485 40 0 HIABMO Cc1ccc2c(c1)C(=O)NCC1(CCC([N@@H+](C)Cc3c(F)cccc3F)CC1)O2 ZINC000072391777 558971553 /nfs/dbraw/zinc/97/15/53/558971553.db2.gz OVKIOIWWCQDTAC-UHFFFAOYSA-N 1 1 400.469 4.209 40 0 HIABMO COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4[C@H](CC[C@]4(O)c4ccccn4)C3)c2)cc1 ZINC000072392554 558972204 /nfs/dbraw/zinc/97/22/04/558972204.db2.gz CGNLKURPQQTXJC-KTIWRFAQSA-N 1 1 400.522 4.487 40 0 HIABMO CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@@H+](C)CCOc2ccc(C)cc2)C1 ZINC000072395268 558974124 /nfs/dbraw/zinc/97/41/24/558974124.db2.gz LXHHXDUNLKMQAL-HXUWFJFHSA-N 1 1 420.557 4.108 40 0 HIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000072398650 558976176 /nfs/dbraw/zinc/97/61/76/558976176.db2.gz AZGMSVIINPKKRZ-JPYJTQIMSA-N 1 1 422.479 4.138 40 0 HIABMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)nc2ccccn12 ZINC000585100062 559023714 /nfs/dbraw/zinc/02/37/14/559023714.db2.gz DPXFPWPZYLCVEA-AREMUKBSSA-N 1 1 416.569 4.498 40 0 HIABMO Cc1nc(CN2C(=O)CC[C@]23CCC[N@@H+](Cc2sc(C)nc2C)CC3)cs1 ZINC000585100251 559023866 /nfs/dbraw/zinc/02/38/66/559023866.db2.gz IXRHDHAEKKHSJA-FQEVSTJZSA-N 1 1 404.605 4.072 40 0 HIABMO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)s1 ZINC000585100612 559024186 /nfs/dbraw/zinc/02/41/86/559024186.db2.gz QAQYJPZPQIYXCL-JOCHJYFZSA-N 1 1 401.551 4.446 40 0 HIABMO Cc1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CC[C@H]32)s1 ZINC000585107943 559029754 /nfs/dbraw/zinc/02/97/54/559029754.db2.gz HJZQZXWJSWBFPO-MTFMMBMASA-N 1 1 415.990 4.250 40 0 HIABMO Cc1cc(C)cc(C(=O)N2CCC3(C[N@@H+](Cc4ccccc4)C[C@]34CCOC4)CC2)c1 ZINC000585113487 559031369 /nfs/dbraw/zinc/03/13/69/559031369.db2.gz PXIRWQSEVPCEHK-MHZLTWQESA-N 1 1 418.581 4.448 40 0 HIABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCC[N@H+]2CCc2ccccc2)n1 ZINC000585166782 559067361 /nfs/dbraw/zinc/06/73/61/559067361.db2.gz YIEQKMNZZOGYBG-XMMPIXPASA-N 1 1 414.553 4.485 40 0 HIABMO Cc1cc(C[NH+]2CCC(c3nc4ccc(NCc5ccccc5)cn4n3)CC2)no1 ZINC000096267305 559108084 /nfs/dbraw/zinc/10/80/84/559108084.db2.gz OQXWJJVFSAAJKQ-UHFFFAOYSA-N 1 1 402.502 4.017 40 0 HIABMO c1cn2cc(C[C@@H]3COCC[N@@H+](Cc4ccccc4Oc4ccccc4)C3)ncc2n1 ZINC000257204626 559282381 /nfs/dbraw/zinc/28/23/81/559282381.db2.gz AVOQZMPONWEHGW-FQEVSTJZSA-N 1 1 414.509 4.213 40 0 HIABMO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@@H]1Oc1ccccc1 ZINC000257247775 559284459 /nfs/dbraw/zinc/28/44/59/559284459.db2.gz JAKVDFXMXBSZCE-ZCYQVOJMSA-N 1 1 410.558 4.398 40 0 HIABMO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@@H]1Oc1ccccc1 ZINC000257247775 559284460 /nfs/dbraw/zinc/28/44/60/559284460.db2.gz JAKVDFXMXBSZCE-ZCYQVOJMSA-N 1 1 410.558 4.398 40 0 HIABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000257259479 559284738 /nfs/dbraw/zinc/28/47/38/559284738.db2.gz KYPFUPKLWUOEKT-HSZRJFAPSA-N 1 1 400.494 4.234 40 0 HIABMO CC(C)(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000514289738 560031763 /nfs/dbraw/zinc/03/17/63/560031763.db2.gz CZCBTJPCNKFBMD-SXWKCWPCSA-N 1 1 400.588 4.481 40 0 biogenic,in-vitro HIABMO CC(C)CC[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289592 560032191 /nfs/dbraw/zinc/03/21/91/560032191.db2.gz LWIILFNMJOJTKR-IRLDBZIGSA-N 1 1 400.469 4.195 40 0 biogenic,in-vitro HIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004161744 560601900 /nfs/dbraw/zinc/60/19/00/560601900.db2.gz ZQUGWXFXTRMFPU-KKSFZXQISA-N 1 1 422.577 4.043 40 0 HIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004161744 560601901 /nfs/dbraw/zinc/60/19/01/560601901.db2.gz ZQUGWXFXTRMFPU-KKSFZXQISA-N 1 1 422.577 4.043 40 0 HIABMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(C[NH+]3CCc4ccccc4C3)coc1=O)C2 ZINC000100796366 560726622 /nfs/dbraw/zinc/72/66/22/560726622.db2.gz XXDKRXKNQDZGPO-LVXARBLLSA-N 1 1 422.569 4.304 40 0 HIABMO C[C@]12C[C@H](CC(C)(C)C1)[NH+](Cc1c([O-])c(C[N@@H+]3CCc4ccccc4C3)coc1=O)C2 ZINC000100796366 560726623 /nfs/dbraw/zinc/72/66/23/560726623.db2.gz XXDKRXKNQDZGPO-LVXARBLLSA-N 1 1 422.569 4.304 40 0 HIABMO C[C@]12C[C@H](CC(C)(C)C1)[NH+](Cc1c([O-])c(C[N@H+]3CCc4ccccc4C3)coc1=O)C2 ZINC000100796366 560726625 /nfs/dbraw/zinc/72/66/25/560726625.db2.gz XXDKRXKNQDZGPO-LVXARBLLSA-N 1 1 422.569 4.304 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012711772 560786283 /nfs/dbraw/zinc/78/62/83/560786283.db2.gz FOBAONIGDSKFQU-QVKFZJNVSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012711772 560786284 /nfs/dbraw/zinc/78/62/84/560786284.db2.gz FOBAONIGDSKFQU-QVKFZJNVSA-N 1 1 422.577 4.098 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000013563122 560816188 /nfs/dbraw/zinc/81/61/88/560816188.db2.gz IIPMXTZHHFWNLN-CALCHBBNSA-N 1 1 419.525 4.394 40 0 HIABMO CO[C@@]1(Cn2cnc3ccccc32)CCC[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000057774472 568497473 /nfs/dbraw/zinc/49/74/73/568497473.db2.gz IINSXWHKRAMMLI-VWLOTQADSA-N 1 1 416.525 4.190 40 0 HIABMO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222596580 568519797 /nfs/dbraw/zinc/51/97/97/568519797.db2.gz PIULKOQIJVMCAY-LJQANCHMSA-N 1 1 424.932 4.261 40 0 HIABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3cccc4ccccc43)c2)CC1 ZINC000224306671 568577287 /nfs/dbraw/zinc/57/72/87/568577287.db2.gz NKIJXTWEKCGGSK-UHFFFAOYSA-N 1 1 404.510 4.205 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccccc1Cl ZINC000224482670 568582349 /nfs/dbraw/zinc/58/23/49/568582349.db2.gz FUDQMXLZLOHDRI-UHFFFAOYSA-N 1 1 402.922 4.095 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224546877 568584516 /nfs/dbraw/zinc/58/45/16/568584516.db2.gz CWIZORRJAACUAE-UHFFFAOYSA-N 1 1 402.922 4.014 40 0 HIABMO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224549518 568584520 /nfs/dbraw/zinc/58/45/20/568584520.db2.gz HQPKRDPRWPXGMT-UHFFFAOYSA-N 1 1 404.913 4.024 40 0 HIABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225561258 568651277 /nfs/dbraw/zinc/65/12/77/568651277.db2.gz JBIGALPDCSDMJQ-NRFANRHFSA-N 1 1 422.569 4.484 40 0 HIABMO CCOC(=O)C1(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000225901826 568684798 /nfs/dbraw/zinc/68/47/98/568684798.db2.gz GEOCPDZEXWCOHC-HXUWFJFHSA-N 1 1 406.526 4.132 40 0 HIABMO CCCCc1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)[nH]n1 ZINC000257207253 568778180 /nfs/dbraw/zinc/77/81/80/568778180.db2.gz BGZZDRZGJYYWKS-XPICPDFBSA-N 1 1 420.601 4.451 40 0 HIABMO CCCCc1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)n[nH]1 ZINC000257207253 568778183 /nfs/dbraw/zinc/77/81/83/568778183.db2.gz BGZZDRZGJYYWKS-XPICPDFBSA-N 1 1 420.601 4.451 40 0 HIABMO CCCCc1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)n[nH]1 ZINC000257207253 568778186 /nfs/dbraw/zinc/77/81/86/568778186.db2.gz BGZZDRZGJYYWKS-XPICPDFBSA-N 1 1 420.601 4.451 40 0 HIABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC2 ZINC000257216351 568780807 /nfs/dbraw/zinc/78/08/07/568780807.db2.gz CUEANBJPZHVEBW-UHFFFAOYSA-N 1 1 408.542 4.485 40 0 HIABMO O=C(NCC[C@@H]1CCCC[N@H+]1Cc1cccc(Oc2ncccn2)c1)c1ccccc1 ZINC000257228845 568784569 /nfs/dbraw/zinc/78/45/69/568784569.db2.gz FVNSILRLXDLARV-QFIPXVFZSA-N 1 1 416.525 4.444 40 0 HIABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(-c3ccccc3OC)c2)C1 ZINC000257243569 568788417 /nfs/dbraw/zinc/78/84/17/568788417.db2.gz IHOXRTGBSXANKZ-SANMLTNESA-N 1 1 415.537 4.037 40 0 HIABMO Cc1cc(Nc2nncs2)cc([C@H]2C[N@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257290920 568801837 /nfs/dbraw/zinc/80/18/37/568801837.db2.gz QEVNQWKJFSYZMN-OAQYLSRUSA-N 1 1 418.526 4.107 40 0 HIABMO Cc1cc(Nc2nncs2)cc([C@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257290920 568801838 /nfs/dbraw/zinc/80/18/38/568801838.db2.gz QEVNQWKJFSYZMN-OAQYLSRUSA-N 1 1 418.526 4.107 40 0 HIABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257301371 568804881 /nfs/dbraw/zinc/80/48/81/568804881.db2.gz RYFHLMJNVZPTPN-FQEVSTJZSA-N 1 1 424.564 4.213 40 0 HIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3N3CCCC3)C[C@H]2c2ccccc2)N1 ZINC000257341841 568816691 /nfs/dbraw/zinc/81/66/91/568816691.db2.gz ZMDRDXIOFRXGMJ-JYFHCDHNSA-N 1 1 403.570 4.315 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccc(OC)c5)cn4n3)C2)cn1 ZINC000306130436 568893003 /nfs/dbraw/zinc/89/30/03/568893003.db2.gz JGISMFRNEUTRQJ-NRFANRHFSA-N 1 1 416.529 4.001 40 0 HIABMO CN1CC[N@H+](Cc2ccccc2F)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306132686 568894950 /nfs/dbraw/zinc/89/49/50/568894950.db2.gz LPGQQBOAKXLDHW-HSZRJFAPSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CC[N@@H+](Cc2ccccc2F)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306132686 568894951 /nfs/dbraw/zinc/89/49/51/568894951.db2.gz LPGQQBOAKXLDHW-HSZRJFAPSA-N 1 1 401.489 4.024 40 0 HIABMO CCc1ccc(C[N@@H+]2CCO[C@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)s1 ZINC000306142977 568904554 /nfs/dbraw/zinc/90/45/54/568904554.db2.gz XPQCBUQTFNXTOP-GHTZIAJQSA-N 1 1 419.616 4.019 40 0 HIABMO CCc1ccc(C[N@H+]2CCO[C@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)s1 ZINC000306142977 568904556 /nfs/dbraw/zinc/90/45/56/568904556.db2.gz XPQCBUQTFNXTOP-GHTZIAJQSA-N 1 1 419.616 4.019 40 0 HIABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(C(N)=O)CC2)cc1 ZINC000001455564 568930708 /nfs/dbraw/zinc/93/07/08/568930708.db2.gz ZANRGGKLKHKLDR-UHFFFAOYSA-N 1 1 411.509 4.098 40 0 HIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000005939539 569051931 /nfs/dbraw/zinc/05/19/31/569051931.db2.gz NBSRJFBKIXNCDI-JOCHJYFZSA-N 1 1 424.589 4.165 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000009062624 569342148 /nfs/dbraw/zinc/34/21/48/569342148.db2.gz NLPHLKRYGNMNDE-KDURUIRLSA-N 1 1 406.014 4.036 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000009062624 569342149 /nfs/dbraw/zinc/34/21/49/569342149.db2.gz NLPHLKRYGNMNDE-KDURUIRLSA-N 1 1 406.014 4.036 40 0 HIABMO CC[N@H+]1CC[C@H](CCc2ccc(NC(=O)c3cccc4c3C(=O)N(C)C4)cc2)[C@@H](C)C1 ZINC000012144910 569344707 /nfs/dbraw/zinc/34/47/07/569344707.db2.gz HSFUCFDYZBHSEG-ICSRJNTNSA-N 1 1 419.569 4.435 40 0 HIABMO C[C@@H]1CCCC[N@H+]1[C@@H](C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000019496322 569345571 /nfs/dbraw/zinc/34/55/71/569345571.db2.gz WOSNLWWKJPNUKB-YFXJRYMSSA-N 1 1 420.532 4.381 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C2CCCC2)c2ccccn2)C1 ZINC000019570212 569345789 /nfs/dbraw/zinc/34/57/89/569345789.db2.gz MPHKBFGYGUEKOQ-ZJSXRUAMSA-N 1 1 407.558 4.350 40 0 HIABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705198 569347845 /nfs/dbraw/zinc/34/78/45/569347845.db2.gz SBDXKVRDZAKSCU-OAQYLSRUSA-N 1 1 408.514 4.392 40 0 HIABMO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3[N@H+]2Cc2ccc(C)cc2OC)cc1 ZINC000019712126 569348283 /nfs/dbraw/zinc/34/82/83/569348283.db2.gz JXDVVWNRXSNTTC-YFNKSVMNSA-N 1 1 422.569 4.257 40 0 HIABMO C[NH+]1CCN(CCCN2c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@@H]32)CC1 ZINC000095869817 569352553 /nfs/dbraw/zinc/35/25/53/569352553.db2.gz RQVPJKVPRLTSPS-AZUAARDMSA-N 1 1 409.521 4.032 40 0 HIABMO CC[C@H](C)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329068036 571309537 /nfs/dbraw/zinc/30/95/37/571309537.db2.gz YMZYHSNHPUFLFJ-ZDUSSCGKSA-N 1 1 401.352 4.890 40 0 HIABMO c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4c[nH]c5ccccc45)n3)cn2)cn1 ZINC000035425752 291271079 /nfs/dbraw/zinc/27/10/79/291271079.db2.gz XIDXAXSJQGTOID-FQEVSTJZSA-N 1 1 411.469 4.136 40 0 biogenic,in-vitro HIABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](CC2CCCCC2)C1 ZINC000015674242 291271097 /nfs/dbraw/zinc/27/10/97/291271097.db2.gz JJKRWDYUJPRWAY-WBVHZDCISA-N 1 1 411.424 4.323 40 0 biogenic,in-vitro HIABMO COc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000072352583 524951413 /nfs/dbraw/zinc/95/14/13/524951413.db2.gz NPNLMABFZIBAHB-QGZVFWFLSA-N 1 1 424.566 4.480 40 0 HIABMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044932084 526670744 /nfs/dbraw/zinc/67/07/44/526670744.db2.gz RJXASHOFXKTOHZ-UHFFFAOYSA-N 1 1 405.311 4.117 40 0 HIABMO CNC(=O)c1cc([C@@H]2C[N@H+](Cc3oc4ccccc4c3C)CCO2)nc2ccccc21 ZINC000019762082 558276934 /nfs/dbraw/zinc/27/69/34/558276934.db2.gz YSSXDDICCURBOC-DEOSSOPVSA-N 1 1 415.493 4.223 40 0 HIABMO CNC(=O)c1cc([C@@H]2C[N@@H+](Cc3oc4ccccc4c3C)CCO2)nc2ccccc21 ZINC000019762082 558276937 /nfs/dbraw/zinc/27/69/37/558276937.db2.gz YSSXDDICCURBOC-DEOSSOPVSA-N 1 1 415.493 4.223 40 0 HIABMO Cc1cc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c(C)n1-c1cccnc1 ZINC000012089319 558323660 /nfs/dbraw/zinc/32/36/60/558323660.db2.gz DQHJNLUYGKDVPA-OAQYLSRUSA-N 1 1 402.498 4.234 40 0 HIABMO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000039758836 558689583 /nfs/dbraw/zinc/68/95/83/558689583.db2.gz MJIIHCAHKQNMIE-UHFFFAOYSA-N 1 1 403.885 4.288 40 0 HIABMO COC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1C ZINC000038858128 558819587 /nfs/dbraw/zinc/81/95/87/558819587.db2.gz NCBABXBIJLNIHQ-KRWDZBQOSA-N 1 1 400.906 4.286 40 0 HIABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019081864 558839985 /nfs/dbraw/zinc/83/99/85/558839985.db2.gz QEPXLMUAVBMRPA-LAUBAEHRSA-N 1 1 401.501 4.475 40 0 HIABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019081935 558840014 /nfs/dbraw/zinc/84/00/14/558840014.db2.gz GLEYODWIWYUORN-LAUBAEHRSA-N 1 1 401.501 4.475 40 0 HIABMO Cc1cccc(OCCC[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019235175 558854317 /nfs/dbraw/zinc/85/43/17/558854317.db2.gz JCBZIGYWKUFGGP-NZSAHSFTSA-N 1 1 423.483 4.055 40 0 HIABMO Cc1ccc[nH+]c1N1CCC[C@@H](c2nc(N3CCCC3)ncc2-c2cccnc2)C1 ZINC000019237824 558857008 /nfs/dbraw/zinc/85/70/08/558857008.db2.gz JAIOQGXNRUUOCW-HXUWFJFHSA-N 1 1 400.530 4.226 40 0 HIABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CC[N@H+](C4CCOCC4)C3)nn21 ZINC000019344228 558872753 /nfs/dbraw/zinc/87/27/53/558872753.db2.gz YJICQAHONGZMOX-ZDUSSCGKSA-N 1 1 422.476 4.445 40 0 HIABMO OC1(c2nccn2Cc2ccccc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000019372909 558880039 /nfs/dbraw/zinc/88/00/39/558880039.db2.gz KRBSCMXKDAZHCG-OFFJZUQKSA-N 1 1 405.517 4.190 40 0 HIABMO CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](c2csnn2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000019500929 558898864 /nfs/dbraw/zinc/89/88/64/558898864.db2.gz NPJHEJPWQLMGGS-OTWHNJEPSA-N 1 1 418.994 4.166 40 0 HIABMO CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@H](c2csnn2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000019500929 558898866 /nfs/dbraw/zinc/89/88/66/558898866.db2.gz NPJHEJPWQLMGGS-OTWHNJEPSA-N 1 1 418.994 4.166 40 0 HIABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000019500916 558898872 /nfs/dbraw/zinc/89/88/72/558898872.db2.gz PQCQHUOTAAACCV-RKVPGOIHSA-N 1 1 421.467 4.009 40 0 HIABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000019500916 558898874 /nfs/dbraw/zinc/89/88/74/558898874.db2.gz PQCQHUOTAAACCV-RKVPGOIHSA-N 1 1 421.467 4.009 40 0 HIABMO CCc1oc2ccccc2c1C[N@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019521360 558902659 /nfs/dbraw/zinc/90/26/59/558902659.db2.gz SZDUQLMWOWDVHE-SQJMNOBHSA-N 1 1 403.526 4.419 40 0 HIABMO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019528752 558910186 /nfs/dbraw/zinc/91/01/86/558910186.db2.gz XBQRHRNHLSZMEG-AREMUKBSSA-N 1 1 414.553 4.105 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019580444 558935988 /nfs/dbraw/zinc/93/59/88/558935988.db2.gz GBWRPYYAFQUIMU-DEOSSOPVSA-N 1 1 405.567 4.333 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c(F)c1 ZINC000019584576 558938645 /nfs/dbraw/zinc/93/86/45/558938645.db2.gz AHIWRZPWKNYFIJ-LJQANCHMSA-N 1 1 421.520 4.132 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345548 558942047 /nfs/dbraw/zinc/94/20/47/558942047.db2.gz AABPBTGUUAQFAZ-NRFANRHFSA-N 1 1 418.516 4.234 40 0 HIABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](CCCc2ccccc2)C1 ZINC000019591657 558942408 /nfs/dbraw/zinc/94/24/08/558942408.db2.gz XBBFWXPPYWAGCK-MHZLTWQESA-N 1 1 413.565 4.362 40 0 HIABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](CCCc2ccccc2)C1 ZINC000019591656 558942461 /nfs/dbraw/zinc/94/24/61/558942461.db2.gz 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Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)[nH+]1 ZINC000072372666 558960412 /nfs/dbraw/zinc/96/04/12/558960412.db2.gz WPMCZZLCZZUWSS-FQEVSTJZSA-N 1 1 412.509 4.417 40 0 HIABMO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Nc2cnccn2)n1)C1CCCCC1 ZINC000072375815 558964794 /nfs/dbraw/zinc/96/47/94/558964794.db2.gz FJPCETGORCDXES-OAQYLSRUSA-N 1 1 422.577 4.322 40 0 HIABMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Nc2cnccn2)n1)C1CCCCC1 ZINC000072375815 558964797 /nfs/dbraw/zinc/96/47/97/558964797.db2.gz FJPCETGORCDXES-OAQYLSRUSA-N 1 1 422.577 4.322 40 0 HIABMO CNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000019697896 558965470 /nfs/dbraw/zinc/96/54/70/558965470.db2.gz VMESWOMTAJKUDL-HXUWFJFHSA-N 1 1 417.534 4.383 40 0 HIABMO CNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000019697896 558965471 /nfs/dbraw/zinc/96/54/71/558965471.db2.gz VMESWOMTAJKUDL-HXUWFJFHSA-N 1 1 417.534 4.383 40 0 HIABMO Cc1nc2ccccn2c1C[N@@H+]1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072390997 558970902 /nfs/dbraw/zinc/97/09/02/558970902.db2.gz GIEIEXGQLUUYPW-XMMPIXPASA-N 1 1 424.548 4.100 40 0 HIABMO Cc1nc2ccccn2c1C[N@H+]1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072390997 558970904 /nfs/dbraw/zinc/97/09/04/558970904.db2.gz GIEIEXGQLUUYPW-XMMPIXPASA-N 1 1 424.548 4.100 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072394030 558973306 /nfs/dbraw/zinc/97/33/06/558973306.db2.gz CJDHMNRHOPEJQC-DEOSSOPVSA-N 1 1 423.488 4.264 40 0 HIABMO CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CC[NH+](Cc2ccncc2)CC1 ZINC000072393950 558973309 /nfs/dbraw/zinc/97/33/09/558973309.db2.gz PGXZGNLYJCUISP-UHFFFAOYSA-N 1 1 423.488 4.264 40 0 HIABMO COc1cccc(C[N@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1OC ZINC000072397155 558975708 /nfs/dbraw/zinc/97/57/08/558975708.db2.gz UBWBJGYYHRDTTP-CQSZACIVSA-N 1 1 420.435 4.063 40 0 HIABMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000019715476 558976442 /nfs/dbraw/zinc/97/64/42/558976442.db2.gz SQDIQRQEECNXMF-UHFFFAOYSA-N 1 1 408.521 4.097 40 0 HIABMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000019715476 558976444 /nfs/dbraw/zinc/97/64/44/558976444.db2.gz SQDIQRQEECNXMF-UHFFFAOYSA-N 1 1 408.521 4.097 40 0 HIABMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1 ZINC000019717156 558979500 /nfs/dbraw/zinc/97/95/00/558979500.db2.gz BWUUTEXDEPWFGH-IBGZPJMESA-N 1 1 405.542 4.436 40 0 HIABMO COc1ccc(-n2nc(C)cc2NC(=O)C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000019717648 558980553 /nfs/dbraw/zinc/98/05/53/558980553.db2.gz JJPDNMUISSLBOC-UHFFFAOYSA-N 1 1 404.514 4.007 40 0 HIABMO COc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CC[C@@H]32)c1 ZINC000585108015 559029791 /nfs/dbraw/zinc/02/97/91/559029791.db2.gz VQXUBBLJQLLBSV-MKWLTTDUSA-N 1 1 410.945 4.185 40 0 HIABMO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5nccs5)CC4)nn3c2)c1 ZINC000096038222 559091926 /nfs/dbraw/zinc/09/19/26/559091926.db2.gz JQKFBLHRMHQEQL-UHFFFAOYSA-N 1 1 405.527 4.241 40 0 HIABMO COc1ccc(-c2nc(C3CC[NH+](Cc4nccs4)CC3)cc3c2ncn3C)cc1 ZINC000096099980 559095268 /nfs/dbraw/zinc/09/52/68/559095268.db2.gz RLUVUEOKJSSNHG-UHFFFAOYSA-N 1 1 419.554 4.480 40 0 HIABMO O=C(NCc1cccs1)[C@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2Cc1ccccc1 ZINC000096143927 559096251 /nfs/dbraw/zinc/09/62/51/559096251.db2.gz AQXCUUVJXNVDKQ-VWNXMTODSA-N 1 1 404.535 4.065 40 0 HIABMO O=C(NCc1cccs1)[C@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2Cc1ccccc1 ZINC000096143927 559096252 /nfs/dbraw/zinc/09/62/52/559096252.db2.gz AQXCUUVJXNVDKQ-VWNXMTODSA-N 1 1 404.535 4.065 40 0 HIABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](Cc3ccccc3)C2)N1Cc1ccc(F)cc1 ZINC000096261955 559106220 /nfs/dbraw/zinc/10/62/20/559106220.db2.gz IGDDEWAEVXYVHD-DEOSSOPVSA-N 1 1 422.525 4.131 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)cc1 ZINC000585274257 559118733 /nfs/dbraw/zinc/11/87/33/559118733.db2.gz USXMUYVVPYCLHY-QHCPKHFHSA-N 1 1 416.949 4.403 40 0 HIABMO COc1ccc2nc(Cl)c(C[NH2+]Cc3ccccc3C)c(N3CCOCC3)c2c1 ZINC000013992586 559131500 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OBFNUJSTNPNBTF-QNWVGRARSA-N 1 1 416.562 4.260 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@@H+](Cc2cccc(F)c2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289757 560031872 /nfs/dbraw/zinc/03/18/72/560031872.db2.gz OBFNUJSTNPNBTF-QNWVGRARSA-N 1 1 416.562 4.260 40 0 biogenic,in-vitro HIABMO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1OC ZINC000012481442 560780613 /nfs/dbraw/zinc/78/06/13/560780613.db2.gz QYUQTSDHYDROTL-SEJPIABJSA-N 1 1 424.541 4.028 40 0 HIABMO C[NH+]1CCN(c2ccc(NC(=O)COc3cccc4ccccc43)cc2Cl)CC1 ZINC000017088375 560863387 /nfs/dbraw/zinc/86/33/87/560863387.db2.gz NJCGACLIOLRIEO-UHFFFAOYSA-N 1 1 409.917 4.263 40 0 HIABMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[N@H+]1C[C@@H]2C[C@H]1CC(C)(C)C2 ZINC000004981199 568430294 /nfs/dbraw/zinc/43/02/94/568430294.db2.gz AQEBUGFWZCHVIQ-HIFRSBDPSA-N 1 1 417.937 4.447 40 0 HIABMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000006591216 568456210 /nfs/dbraw/zinc/45/62/10/568456210.db2.gz LECWXRCCRNHFDU-FPTDNZKUSA-N 1 1 417.937 4.447 40 0 HIABMO CCN(CC)CC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022075134 568473919 /nfs/dbraw/zinc/47/39/19/568473919.db2.gz VAHNAHRECDTITA-UHFFFAOYSA-N 1 1 421.379 4.468 40 0 HIABMO O=C(NCc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000219416504 568491511 /nfs/dbraw/zinc/49/15/11/568491511.db2.gz QYXHMXKJUKLCMS-UHFFFAOYSA-N 1 1 421.324 4.251 40 0 HIABMO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224589103 568586569 /nfs/dbraw/zinc/58/65/69/568586569.db2.gz HOLCQSOVEMPLCH-UHFFFAOYSA-N 1 1 407.341 4.075 40 0 HIABMO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225585022 568654539 /nfs/dbraw/zinc/65/45/39/568654539.db2.gz PTVLRXRKMIWQTB-UHFFFAOYSA-N 1 1 404.913 4.358 40 0 HIABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225585766 568654845 /nfs/dbraw/zinc/65/48/45/568654845.db2.gz VOVGDHPEVAUTQM-UHFFFAOYSA-N 1 1 404.913 4.195 40 0 HIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225586151 568654906 /nfs/dbraw/zinc/65/49/06/568654906.db2.gz WPSYYBMFLNTWOA-OAQYLSRUSA-N 1 1 424.004 4.462 40 0 HIABMO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225745650 568670758 /nfs/dbraw/zinc/67/07/58/568670758.db2.gz NGHUABJZEUYKCW-QHCPKHFHSA-N 1 1 406.567 4.102 40 0 HIABMO COCC(=O)N1CCC2(C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2c2ccccc2)CC1 ZINC000257203136 568776900 /nfs/dbraw/zinc/77/69/00/568776900.db2.gz AOVGBRUEMGRSHE-JOCHJYFZSA-N 1 1 412.961 4.195 40 0 HIABMO Cc1nc2cc([C@H]3CCC[N@H+]3C3CCCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257225320 568783567 /nfs/dbraw/zinc/78/35/67/568783567.db2.gz FFSIXCPCCYCXKL-HSZRJFAPSA-N 1 1 423.605 4.417 40 0 HIABMO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4scnc4C)C3)CO[C@H]21 ZINC000257225915 568783704 /nfs/dbraw/zinc/78/37/04/568783704.db2.gz FIJUPYIURDUITO-QFBILLFUSA-N 1 1 400.544 4.211 40 0 HIABMO O=C(NCC[C@H]1CCCC[N@H+]1Cc1cccc(Oc2ncccn2)c1)c1ccccc1 ZINC000257228844 568784509 /nfs/dbraw/zinc/78/45/09/568784509.db2.gz FVNSILRLXDLARV-JOCHJYFZSA-N 1 1 416.525 4.444 40 0 HIABMO CNC(=O)c1cnn([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4OC)c3)CC2)c1 ZINC000257232311 568785373 /nfs/dbraw/zinc/78/53/73/568785373.db2.gz GKHZIFZOEPLSNB-JOCHJYFZSA-N 1 1 418.541 4.146 40 0 HIABMO Cc1nnc([N-]c2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257237914 568786841 /nfs/dbraw/zinc/78/68/41/568786841.db2.gz HITXKRKLVZTBSB-HXUWFJFHSA-N 1 1 418.526 4.107 40 0 HIABMO CC(C)(C)c1ccc(OCC(=O)[O-])c(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000257242418 568788122 /nfs/dbraw/zinc/78/81/22/568788122.db2.gz ICJYKICLZRPTDJ-VABKMULXSA-N 1 1 422.569 4.025 40 0 HIABMO CNC(=O)[C@@]1(c2cccc(C)n2)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1OC ZINC000257264558 568794082 /nfs/dbraw/zinc/79/40/82/568794082.db2.gz LUZYUSYPVXKIPM-SANMLTNESA-N 1 1 415.537 4.303 40 0 HIABMO CNC(=O)[C@@]1(c2cccc(C)n2)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1OC ZINC000257264558 568794084 /nfs/dbraw/zinc/79/40/84/568794084.db2.gz LUZYUSYPVXKIPM-SANMLTNESA-N 1 1 415.537 4.303 40 0 HIABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnc(Cc2ccc(F)cc2)c1 ZINC000257267169 568794742 /nfs/dbraw/zinc/79/47/42/568794742.db2.gz MGFDFKHVXPGOBR-ONTNHIFESA-N 1 1 407.533 4.289 40 0 HIABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC(c2cccc(Nc3ncccc3C)n2)CC1 ZINC000257271059 568795992 /nfs/dbraw/zinc/79/59/92/568795992.db2.gz MWPQKRCJYYEMLL-GOSISDBHSA-N 1 1 418.545 4.076 40 0 HIABMO COc1ccccc1OCCc1cc([C@@H]2C[N@@H+](CC3CCCCC3)CCO2)nn1C ZINC000257286640 568800427 /nfs/dbraw/zinc/80/04/27/568800427.db2.gz PMIMFPWSBQFQED-DEOSSOPVSA-N 1 1 413.562 4.004 40 0 HIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257301372 568804915 /nfs/dbraw/zinc/80/49/15/568804915.db2.gz RYFHLMJNVZPTPN-HXUWFJFHSA-N 1 1 424.564 4.213 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257314941 568808688 /nfs/dbraw/zinc/80/86/88/568808688.db2.gz UZFMGQHGVXLIIP-KRWDZBQOSA-N 1 1 412.921 4.084 40 0 HIABMO Fc1ccccc1OCCc1cc([C@H]2C[N@H+](CCCc3ccccc3)CCO2)[nH]n1 ZINC000257318432 568809769 /nfs/dbraw/zinc/80/97/69/568809769.db2.gz VNWLYFDSZPOGMW-XMMPIXPASA-N 1 1 409.505 4.176 40 0 HIABMO Fc1ccccc1OCCc1cc([C@H]2C[N@@H+](CCCc3ccccc3)CCO2)[nH]n1 ZINC000257318432 568809770 /nfs/dbraw/zinc/80/97/70/568809770.db2.gz VNWLYFDSZPOGMW-XMMPIXPASA-N 1 1 409.505 4.176 40 0 HIABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+]2Cc2ccncc2)N1 ZINC000257339125 568815846 /nfs/dbraw/zinc/81/58/46/568815846.db2.gz ZAHHHYIKGVHJKS-AABGKKOBSA-N 1 1 403.448 4.475 40 0 HIABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+]2Cc2ccncc2)N1 ZINC000257339125 568815847 /nfs/dbraw/zinc/81/58/47/568815847.db2.gz ZAHHHYIKGVHJKS-AABGKKOBSA-N 1 1 403.448 4.475 40 0 HIABMO COc1cccc(C[N@H+]2CC[C@]3(C2)CCc2nc(-c4ccccc4)cc(=O)n2CC3)c1 ZINC000306127836 568890817 /nfs/dbraw/zinc/89/08/17/568890817.db2.gz GISYRDOTWKTODJ-AREMUKBSSA-N 1 1 415.537 4.148 40 0 HIABMO O=C1N(Cc2cccs2)CC[C@]12C[N@@H+](Cc1ccccc1)C[C@@H]2c1nccs1 ZINC000306128662 568891459 /nfs/dbraw/zinc/89/14/59/568891459.db2.gz HHTRHXBPXRUMCB-DENIHFKCSA-N 1 1 409.580 4.223 40 0 HIABMO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)nn2c1 ZINC000306138964 568900817 /nfs/dbraw/zinc/90/08/17/568900817.db2.gz SLUOEQDXZUHXFW-LJQANCHMSA-N 1 1 417.488 4.319 40 0 HIABMO c1csc(C[N@@H+]2CC[C@@]3(C2)CO[C@H](c2ccccc2)CN3Cc2ccccn2)c1 ZINC000306140614 568902391 /nfs/dbraw/zinc/90/23/91/568902391.db2.gz UYYUSEUTXQTNPQ-BJKOFHAPSA-N 1 1 405.567 4.361 40 0 HIABMO c1csc(C[N@@H+]2CC[C@]3(C2)CO[C@@H](c2ccccc2)CN3Cc2ccccn2)c1 ZINC000306140616 568902406 /nfs/dbraw/zinc/90/24/06/568902406.db2.gz UYYUSEUTXQTNPQ-RPWUZVMVSA-N 1 1 405.567 4.361 40 0 HIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccco5)C4)nn3c2)c1OC ZINC000306141534 568902982 /nfs/dbraw/zinc/90/29/82/568902982.db2.gz VZIFZKSAAHMDEO-SFHVURJKSA-N 1 1 418.497 4.386 40 0 HIABMO Cc1ccc(C[N@@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306142865 568904497 /nfs/dbraw/zinc/90/44/97/568904497.db2.gz XMVHQCGBCQGBTQ-QFIPXVFZSA-N 1 1 403.555 4.255 40 0 HIABMO Cc1cc(C)cc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144597 568906084 /nfs/dbraw/zinc/90/60/84/568906084.db2.gz ZJUOGLCXDSJIQH-ZEQKJWHPSA-N 1 1 420.601 4.309 40 0 HIABMO C[C@H](C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000248137623 569316404 /nfs/dbraw/zinc/31/64/04/569316404.db2.gz AOUGWCHXBKCHMN-LFAGZIFBSA-N 1 1 414.553 4.463 40 0 HIABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@H](NC(=O)[C@H]2CCCO2)c2ccccn2)C1 ZINC000248166474 569316481 /nfs/dbraw/zinc/31/64/81/569316481.db2.gz ONUZYKQENOTARR-JBPNDBFZSA-N 1 1 419.569 4.233 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)cc1 ZINC000012408196 569344830 /nfs/dbraw/zinc/34/48/30/569344830.db2.gz KKFFWSRPMWWKBY-PZJWPPBQSA-N 1 1 413.587 4.411 40 0 HIABMO COc1ccc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OCc1ccccn1 ZINC000019662982 569345826 /nfs/dbraw/zinc/34/58/26/569345826.db2.gz VOPWUBMBBOMTSN-HSZRJFAPSA-N 1 1 403.526 4.158 40 0 HIABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1CCOc1ccccc1F ZINC000019738675 569348492 /nfs/dbraw/zinc/34/84/92/569348492.db2.gz NILUFVWLXXJQPL-JOCHJYFZSA-N 1 1 404.551 4.296 40 0 HIABMO COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908472 569352070 /nfs/dbraw/zinc/35/20/70/569352070.db2.gz LCTBWTLRTGOEFU-MJGOQNOKSA-N 1 1 416.949 4.144 40 0 HIABMO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000005411071 291270684 /nfs/dbraw/zinc/27/06/84/291270684.db2.gz FZOPDMKRYRAVNW-FUHWJXTLSA-N 1 1 406.551 4.328 40 0 biogenic,in-vitro HIABMO CC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)ccc21 ZINC000012291274 132357981 /nfs/dbraw/zinc/35/79/81/132357981.db2.gz YRIMDMHDNXVETN-DEOSSOPVSA-N 1 1 410.945 4.462 40 0 HIABMO Cc1ccc[nH+]c1N1CCC[C@H](c2nc(N3CCCC3)ncc2-c2cccnc2)C1 ZINC000019237825 132466699 /nfs/dbraw/zinc/46/66/99/132466699.db2.gz JAIOQGXNRUUOCW-FQEVSTJZSA-N 1 1 400.530 4.226 40 0 HIABMO COc1cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ccc1OC(C)C ZINC000044905278 522425794 /nfs/dbraw/zinc/42/57/94/522425794.db2.gz WAHONZFSQLQZGQ-HXUWFJFHSA-N 1 1 414.521 4.150 40 0 HIABMO NC(=O)c1cc([C@H]2CC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)nc2ccccc21 ZINC000019761077 527033910 /nfs/dbraw/zinc/03/39/10/527033910.db2.gz RTEWEUPDGCFUGQ-FQEVSTJZSA-N 1 1 408.505 4.385 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000006458283 557703548 /nfs/dbraw/zinc/70/35/48/557703548.db2.gz ZTMSRWLYQRFLAO-XMMPIXPASA-N 1 1 406.570 4.389 40 0 HIABMO CCOc1nc2ccc(N[C@H](C)C[NH+]3CCN(CCc4ccccc4)CC3)cc2s1 ZINC000022859002 558517615 /nfs/dbraw/zinc/51/76/15/558517615.db2.gz FRGQJVICSVLKGH-LJQANCHMSA-N 1 1 424.614 4.356 40 0 HIABMO CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030939459 558745360 /nfs/dbraw/zinc/74/53/60/558745360.db2.gz UENNTNCLBQYKOA-GOSISDBHSA-N 1 1 413.949 4.331 40 0 HIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)NCC2(c3ccc(C)cc3)CCOCC2)c1 ZINC000019208747 558847718 /nfs/dbraw/zinc/84/77/18/558847718.db2.gz SJJIGUYCNRLYDL-UHFFFAOYSA-N 1 1 403.526 4.026 40 0 HIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3ccc(C)s3)C1)O2 ZINC000019217192 558850656 /nfs/dbraw/zinc/85/06/56/558850656.db2.gz MXSHNTGVESUWCV-MBSDFSHPSA-N 1 1 414.571 4.087 40 0 HIABMO Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)c1 ZINC000019234413 558853771 /nfs/dbraw/zinc/85/37/71/558853771.db2.gz OTEIEXNIOOWHHK-QFIPXVFZSA-N 1 1 420.557 4.159 40 0 HIABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3cccc(C)c3OC)C2)nc(-c2cccnc2)n1 ZINC000019235972 558855170 /nfs/dbraw/zinc/85/51/70/558855170.db2.gz IZJIVIQCEJQDMO-LJQANCHMSA-N 1 1 403.530 4.277 40 0 HIABMO COc1ccc(N(Cc2cccnc2)C(=O)c2ccccc2Cn2cc[nH+]c2C)cc1 ZINC000019288224 558861129 /nfs/dbraw/zinc/86/11/29/558861129.db2.gz RYPOTUDHMSMAGI-UHFFFAOYSA-N 1 1 412.493 4.490 40 0 HIABMO COc1ccc(N(Cc2cccnc2)C(=O)c2cccc(Cn3cc[nH+]c3C)c2)cc1 ZINC000019288200 558861201 /nfs/dbraw/zinc/86/12/01/558861201.db2.gz PIQRBQCBGGUIKD-UHFFFAOYSA-N 1 1 412.493 4.490 40 0 HIABMO OC1(c2nccn2Cc2ccccc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000019372911 558880163 /nfs/dbraw/zinc/88/01/63/558880163.db2.gz CLBXMWXQPOAYHM-OFFJZUQKSA-N 1 1 405.517 4.190 40 0 HIABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449613 558888253 /nfs/dbraw/zinc/88/82/53/558888253.db2.gz YOYOYNMDUAMRBR-SANMLTNESA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449643 558888290 /nfs/dbraw/zinc/88/82/90/558888290.db2.gz XQIYDXYRDGZGHX-AREMUKBSSA-N 1 1 414.553 4.103 40 0 HIABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)no2)CC1 ZINC000019496736 558895750 /nfs/dbraw/zinc/89/57/50/558895750.db2.gz DGWCEUXBHUPOLH-QGZVFWFLSA-N 1 1 403.473 4.205 40 0 HIABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)no2)CC1 ZINC000019496736 558895751 /nfs/dbraw/zinc/89/57/51/558895751.db2.gz DGWCEUXBHUPOLH-QGZVFWFLSA-N 1 1 403.473 4.205 40 0 HIABMO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000019500917 558898857 /nfs/dbraw/zinc/89/88/57/558898857.db2.gz PQCQHUOTAAACCV-VKJFTORMSA-N 1 1 421.467 4.009 40 0 HIABMO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000019500917 558898860 /nfs/dbraw/zinc/89/88/60/558898860.db2.gz PQCQHUOTAAACCV-VKJFTORMSA-N 1 1 421.467 4.009 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502942 558900303 /nfs/dbraw/zinc/90/03/03/558900303.db2.gz LNFLQZXLWMAIBI-DEOSSOPVSA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503348 558900655 /nfs/dbraw/zinc/90/06/55/558900655.db2.gz YMTPBNDIYPESME-QHCPKHFHSA-N 1 1 414.553 4.057 40 0 HIABMO CCOCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)ccc1OC ZINC000019531080 558911712 /nfs/dbraw/zinc/91/17/12/558911712.db2.gz TWYYOEFREHTZBM-KEVCNVLYSA-N 1 1 411.542 4.255 40 0 HIABMO Cc1sc2c([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)[nH+]c(Nc3ccccc3)n2c1C ZINC000019561732 558922641 /nfs/dbraw/zinc/92/26/41/558922641.db2.gz SHWAWHGPRRQLEU-MRXNPFEDSA-N 1 1 420.542 4.499 40 0 HIABMO COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000019566007 558925918 /nfs/dbraw/zinc/92/59/18/558925918.db2.gz VTGFTJPFOSVDII-LQWHRVPQSA-N 1 1 413.514 4.153 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)n1 ZINC000072330474 558934754 /nfs/dbraw/zinc/93/47/54/558934754.db2.gz MWVPOERFUCQGBG-NVQXNPDNSA-N 1 1 414.553 4.097 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341423 558939763 /nfs/dbraw/zinc/93/97/63/558939763.db2.gz UQPOIYUGEBOZJL-CTNGQTDRSA-N 1 1 413.587 4.411 40 0 HIABMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1)C1CCCCC1 ZINC000072353016 558949649 /nfs/dbraw/zinc/94/96/49/558949649.db2.gz RNOQAJXNFBAGLF-OAQYLSRUSA-N 1 1 411.525 4.287 40 0 HIABMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1)C1CCCCC1 ZINC000072353016 558949652 /nfs/dbraw/zinc/94/96/52/558949652.db2.gz RNOQAJXNFBAGLF-OAQYLSRUSA-N 1 1 411.525 4.287 40 0 HIABMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353135 558949814 /nfs/dbraw/zinc/94/98/14/558949814.db2.gz LWRALJANMYMGLQ-FQEVSTJZSA-N 1 1 408.481 4.008 40 0 HIABMO CCc1ncc(C[N@H+]2CCCC[C@@H]2Cc2c3ccccc3sc2C(=O)NC)cn1 ZINC000072370483 558956815 /nfs/dbraw/zinc/95/68/15/558956815.db2.gz CKUFPWCWFAMPQH-QGZVFWFLSA-N 1 1 408.571 4.211 40 0 HIABMO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372585 558960179 /nfs/dbraw/zinc/96/01/79/558960179.db2.gz QDRFEKKRBQJSQC-OAQYLSRUSA-N 1 1 404.518 4.165 40 0 HIABMO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)[nH+]1 ZINC000072372667 558960336 /nfs/dbraw/zinc/96/03/36/558960336.db2.gz WPMCZZLCZZUWSS-HXUWFJFHSA-N 1 1 412.509 4.417 40 0 HIABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000019693963 558961857 /nfs/dbraw/zinc/96/18/57/558961857.db2.gz JSUJOSYZNFARSP-LJQANCHMSA-N 1 1 422.552 4.253 40 0 HIABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ccncc4)C3)[nH]n2)c1 ZINC000072380046 558967997 /nfs/dbraw/zinc/96/79/97/558967997.db2.gz LLGIBKWGAKFFFF-KRWDZBQOSA-N 1 1 416.447 4.435 40 0 HIABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccncc4)C3)n[nH]2)c1 ZINC000072380046 558967999 /nfs/dbraw/zinc/96/79/99/558967999.db2.gz LLGIBKWGAKFFFF-KRWDZBQOSA-N 1 1 416.447 4.435 40 0 HIABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ccncc4)C3)n[nH]2)c1 ZINC000072380046 558968002 /nfs/dbraw/zinc/96/80/02/558968002.db2.gz LLGIBKWGAKFFFF-KRWDZBQOSA-N 1 1 416.447 4.435 40 0 HIABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC1CCCC1 ZINC000072392537 558972070 /nfs/dbraw/zinc/97/20/70/558972070.db2.gz UJVHZGZVTMXVPJ-HXAGEGRHSA-N 1 1 422.569 4.450 40 0 HIABMO O=C(c1ccccc1F)N1CC[NH+](Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393713 558972976 /nfs/dbraw/zinc/97/29/76/558972976.db2.gz 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O=C(NCc1cccs1)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1ccccc1 ZINC000096143928 559096270 /nfs/dbraw/zinc/09/62/70/559096270.db2.gz AQXCUUVJXNVDKQ-ISKFKSNPSA-N 1 1 404.535 4.065 40 0 HIABMO O=C1CO[C@]2(CN1c1ccc(F)cc1)CCC[N@@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000585261771 559109345 /nfs/dbraw/zinc/10/93/45/559109345.db2.gz IRLXEEJBOKLNAX-XMMPIXPASA-N 1 1 407.489 4.095 40 0 HIABMO O[C@@]1(COc2cc(F)cc(F)c2)COCC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585283609 559120787 /nfs/dbraw/zinc/12/07/87/559120787.db2.gz SLIAYDACDQZXCX-ZFJSRUIDSA-N 1 1 417.496 4.133 40 0 HIABMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000100156400 559131230 /nfs/dbraw/zinc/13/12/30/559131230.db2.gz NYGMLXKEYYFZOA-IYBDPMFKSA-N 1 1 413.547 4.208 40 0 HIABMO Cc1noc(C)c1COc1ccc(C[N@@H+](C)C[C@H](O)COC2CCCCC2)cc1 ZINC000257221151 559283575 /nfs/dbraw/zinc/28/35/75/559283575.db2.gz DNSIIBSDMPUXCP-FQEVSTJZSA-N 1 1 402.535 4.012 40 0 HIABMO COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000514290057 560030874 /nfs/dbraw/zinc/03/08/74/560030874.db2.gz WHGBPTYIJJBQPQ-KYPHJKQUSA-N 1 1 422.569 4.068 40 0 biogenic,in-vitro HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161848 560601915 /nfs/dbraw/zinc/60/19/15/560601915.db2.gz NKUXDUBDWYAXQF-YCRPNKLZSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161848 560601916 /nfs/dbraw/zinc/60/19/16/560601916.db2.gz NKUXDUBDWYAXQF-YCRPNKLZSA-N 1 1 422.577 4.098 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N[C@@H]4CCCC[C@H]4C)on3)C2)c1 ZINC000409412751 560722971 /nfs/dbraw/zinc/72/29/71/560722971.db2.gz JPEBFZYLMGIAJL-SLYNCCJLSA-N 1 1 411.546 4.371 40 0 HIABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@@H]21 ZINC000013992533 560831632 /nfs/dbraw/zinc/83/16/32/560831632.db2.gz UPSVTWZBYSGRDW-YYDVJCTNSA-N 1 1 424.932 4.437 40 0 HIABMO C[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000017088427 560863435 /nfs/dbraw/zinc/86/34/35/560863435.db2.gz WAFXICXRASZABP-UHFFFAOYSA-N 1 1 410.370 4.476 40 0 HIABMO C[C@@]1(O)CC[N@H+](Cc2cccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383356 568489636 /nfs/dbraw/zinc/48/96/36/568489636.db2.gz ZYKGSWGLEHADDF-WPFOTENUSA-N 1 1 424.541 4.384 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@@H+](Cc2cccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383356 568489638 /nfs/dbraw/zinc/48/96/38/568489638.db2.gz ZYKGSWGLEHADDF-WPFOTENUSA-N 1 1 424.541 4.384 40 0 biogenic,in-vitro HIABMO Cc1cc(C)c(S(=O)(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)c(C)c1 ZINC000222975740 568532891 /nfs/dbraw/zinc/53/28/91/568532891.db2.gz JVRAUPZEIVUUMK-UHFFFAOYSA-N 1 1 403.935 4.204 40 0 HIABMO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224573159 568585849 /nfs/dbraw/zinc/58/58/49/568585849.db2.gz MFCOGVNICJGJJL-OAQYLSRUSA-N 1 1 418.990 4.359 40 0 HIABMO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224585118 568586392 /nfs/dbraw/zinc/58/63/92/568586392.db2.gz JTZYIRWXKTWYNZ-XMMPIXPASA-N 1 1 424.585 4.290 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1cccc2ccccc21 ZINC000224634518 568589829 /nfs/dbraw/zinc/58/98/29/568589829.db2.gz QSZMWHHYNRDLHH-UHFFFAOYSA-N 1 1 404.510 4.205 40 0 HIABMO CCn1c(=O)sc2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000225120073 568615563 /nfs/dbraw/zinc/61/55/63/568615563.db2.gz LPZDUSFRLYBMNV-INIZCTEOSA-N 1 1 413.518 4.073 40 0 HIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1cccc(Br)c1 ZINC000225448984 568638851 /nfs/dbraw/zinc/63/88/51/568638851.db2.gz IRYUEMSXJDSISA-UHFFFAOYSA-N 1 1 401.333 4.430 40 0 HIABMO COC(=O)c1cc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)ccc1Cl ZINC000225457819 568639777 /nfs/dbraw/zinc/63/97/77/568639777.db2.gz FXUNCSTZFIBUAP-UHFFFAOYSA-N 1 1 414.918 4.107 40 0 HIABMO C[C@@H](COc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589292 568655327 /nfs/dbraw/zinc/65/53/27/568655327.db2.gz FNHCAJDBTZGHKI-INIZCTEOSA-N 1 1 404.913 4.275 40 0 HIABMO O=C(NCCNc1ccnc2cc(Cl)ccc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225902171 568684775 /nfs/dbraw/zinc/68/47/75/568684775.db2.gz MHFXNEGLOUUYSD-IBGZPJMESA-N 1 1 422.960 4.329 40 0 HIABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc(Cc2ccc(F)cc2)nc1 ZINC000257208765 568778748 /nfs/dbraw/zinc/77/87/48/568778748.db2.gz BNNJFCCIUQKCEK-ONTNHIFESA-N 1 1 407.533 4.289 40 0 HIABMO O=C1CO[C@]2(CN1c1ccc(F)cc1)CCC[N@@H+](Cc1ccnc3ccccc13)CC2 ZINC000257226885 568783876 /nfs/dbraw/zinc/78/38/76/568783876.db2.gz FMPOMBVBNVEVQM-RUZDIDTESA-N 1 1 419.500 4.162 40 0 HIABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257235800 568786378 /nfs/dbraw/zinc/78/63/78/568786378.db2.gz GZNGCFIXWQEVSA-VWLOTQADSA-N 1 1 407.558 4.025 40 0 HIABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cncc(Cc3cccc(F)c3)c1)C2 ZINC000257250878 568790512 /nfs/dbraw/zinc/79/05/12/568790512.db2.gz JOKBXZOXJBDCAA-UCKMRUJXSA-N 1 1 407.533 4.289 40 0 HIABMO Cc1nc(N)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@H]2Cc1ccccc1 ZINC000257261709 568793260 /nfs/dbraw/zinc/79/32/60/568793260.db2.gz LIMUVJDEBWWEEN-BPJSAFFHSA-N 1 1 424.614 4.122 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257298943 568804240 /nfs/dbraw/zinc/80/42/40/568804240.db2.gz RNZSLYXAQLMHEA-NRFANRHFSA-N 1 1 424.564 4.167 40 0 HIABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)CC1 ZINC000257334434 568814454 /nfs/dbraw/zinc/81/44/54/568814454.db2.gz YFWBDKRYXRFRMP-IBGZPJMESA-N 1 1 410.537 4.463 40 0 HIABMO Fc1ccccc1-c1cncc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000257337625 568815351 /nfs/dbraw/zinc/81/53/51/568815351.db2.gz YTPMYHNGVRNDMZ-DEOSSOPVSA-N 1 1 400.457 4.404 40 0 HIABMO Fc1ccccc1-c1cncc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000257337625 568815352 /nfs/dbraw/zinc/81/53/52/568815352.db2.gz YTPMYHNGVRNDMZ-DEOSSOPVSA-N 1 1 400.457 4.404 40 0 HIABMO CN1CC[N@H+](Cc2ccc(F)cc2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306130588 568892832 /nfs/dbraw/zinc/89/28/32/568892832.db2.gz JKHCHKSFKYQPRE-HSZRJFAPSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306130588 568892834 /nfs/dbraw/zinc/89/28/34/568892834.db2.gz JKHCHKSFKYQPRE-HSZRJFAPSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CCN(Cc2ccc(F)cc2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306130588 568892837 /nfs/dbraw/zinc/89/28/37/568892837.db2.gz JKHCHKSFKYQPRE-HSZRJFAPSA-N 1 1 401.489 4.024 40 0 HIABMO Cc1ccc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306142864 568904448 /nfs/dbraw/zinc/90/44/48/568904448.db2.gz XMVHQCGBCQGBTQ-JOCHJYFZSA-N 1 1 403.555 4.255 40 0 HIABMO Fc1cc(CN2CCC3(C[C@H](C[NH+]4CCC(F)(F)CC4)O3)CC2)ccc1Cl ZINC000306143985 568905456 /nfs/dbraw/zinc/90/54/56/568905456.db2.gz YSRGJHBZSYCOCN-MRXNPFEDSA-N 1 1 402.888 4.334 40 0 HIABMO Cc1ccsc1C[N@@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306144785 568906320 /nfs/dbraw/zinc/90/63/20/568906320.db2.gz ZOKVUXPNVHPKFQ-CVDCTZTESA-N 1 1 412.603 4.062 40 0 HIABMO O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198813 569058981 /nfs/dbraw/zinc/05/89/81/569058981.db2.gz JATBDXCMEJWEEG-XHIHJMKYSA-N 1 1 408.571 4.173 40 0 HIABMO O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198813 569058982 /nfs/dbraw/zinc/05/89/82/569058982.db2.gz JATBDXCMEJWEEG-XHIHJMKYSA-N 1 1 408.571 4.173 40 0 HIABMO O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198813 569058983 /nfs/dbraw/zinc/05/89/83/569058983.db2.gz JATBDXCMEJWEEG-XHIHJMKYSA-N 1 1 408.571 4.173 40 0 HIABMO COc1ccc(CCN(C(=O)c2ccc(F)cc2)C2=C[C@@H]3CC[C@H](C2)[N@H+]3C)cc1OC ZINC000005452546 569071936 /nfs/dbraw/zinc/07/19/36/569071936.db2.gz XQNYCULHMXKFNJ-LEWJYISDSA-N 1 1 424.516 4.278 40 0 HIABMO CCC(=O)Nc1cc([C@@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C)ccc1OC ZINC000253591443 569318167 /nfs/dbraw/zinc/31/81/67/569318167.db2.gz NIGKHVSYIHGVFF-VFNWGFHPSA-N 1 1 407.514 4.178 40 0 HIABMO CCC(=O)Nc1cc([C@@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C)ccc1OC ZINC000253591443 569318168 /nfs/dbraw/zinc/31/81/68/569318168.db2.gz NIGKHVSYIHGVFF-VFNWGFHPSA-N 1 1 407.514 4.178 40 0 HIABMO CC1(C)CC(N2CC[C@](O)(c3ccccc3)[C@H](C(=O)c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000004263174 569322519 /nfs/dbraw/zinc/32/25/19/569322519.db2.gz NEOJLOAKLIOQTH-HOFKKMOUSA-N 1 1 420.597 4.388 40 0 HIABMO CCN(CC)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+]1Cc1ccccn1 ZINC000019696554 569346815 /nfs/dbraw/zinc/34/68/15/569346815.db2.gz ZRKMRHXMQOASFH-VWLOTQADSA-N 1 1 418.541 4.182 40 0 HIABMO CCc1ccc2[nH]c(C)c(C[N@H+]3CC[C@@](Cc4cc(C(C)C)no4)(C(=O)NC)C3)c2c1 ZINC000019739237 569348704 /nfs/dbraw/zinc/34/87/04/569348704.db2.gz MMLHYGCILPAXEG-VWLOTQADSA-N 1 1 422.573 4.331 40 0 HIABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3C)c4=O)C2)cc1 ZINC000020503210 575369788 /nfs/dbraw/zinc/36/97/88/575369788.db2.gz WGRGYCCNWINPSM-LEWJYISDSA-N 1 1 400.522 4.452 40 0 biogenic,in-vitro HIABMO COc1cc2cc(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2cc1OC ZINC000012088288 132353614 /nfs/dbraw/zinc/35/36/14/132353614.db2.gz CSXYXVHSKYCHAU-INIZCTEOSA-N 1 1 407.514 4.394 40 0 HIABMO COc1cc2cc(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2cc1OC ZINC000012088288 132353617 /nfs/dbraw/zinc/35/36/17/132353617.db2.gz CSXYXVHSKYCHAU-INIZCTEOSA-N 1 1 407.514 4.394 40 0 HIABMO CN(CCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000044916824 522844445 /nfs/dbraw/zinc/84/44/45/522844445.db2.gz GRCAWMZONKUBGB-UHFFFAOYSA-N 1 1 420.384 4.458 40 0 HIABMO Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044852453 525305270 /nfs/dbraw/zinc/30/52/70/525305270.db2.gz CPXDLIPEINJTDC-UYAOXDASSA-N 1 1 400.950 4.444 40 0 HIABMO CC(C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000408629244 557563711 /nfs/dbraw/zinc/56/37/11/557563711.db2.gz RRAQNBIPSFMQMP-UHFFFAOYSA-N 1 1 401.938 4.233 40 0 HIABMO C[N@@H+](CC[C@@H]1c2ccccc2COc2ccccc21)C[C@H](O)COc1ccccc1 ZINC000005699073 557669199 /nfs/dbraw/zinc/66/91/99/557669199.db2.gz SZQLTQPHXXXMNC-XUZZJYLKSA-N 1 1 403.522 4.473 40 0 in-man HIABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000012143472 558335432 /nfs/dbraw/zinc/33/54/32/558335432.db2.gz RLSXTFSREQQFEM-UHFFFAOYSA-N 1 1 415.965 4.101 40 0 HIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)C1 ZINC000020456203 558369708 /nfs/dbraw/zinc/36/97/08/558369708.db2.gz BMNXFZDGJAETRF-LNLBBOMNSA-N 1 1 417.597 4.390 40 0 HIABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000019082062 558840049 /nfs/dbraw/zinc/84/00/49/558840049.db2.gz VYWLPJDXQCMFBR-OAQYLSRUSA-N 1 1 401.501 4.475 40 0 HIABMO C=COCCCNc1nc(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC000019210385 558848176 /nfs/dbraw/zinc/84/81/76/558848176.db2.gz JRYYXMIJNMHSIU-UHFFFAOYSA-N 1 1 415.541 4.367 40 0 HIABMO C=COCCCNc1nc(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(C)cc1)C2 ZINC000019210385 558848178 /nfs/dbraw/zinc/84/81/78/558848178.db2.gz JRYYXMIJNMHSIU-UHFFFAOYSA-N 1 1 415.541 4.367 40 0 HIABMO Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCC(O)(Cn2cc[nH+]c2C(C)C)CC1 ZINC000019218021 558850781 /nfs/dbraw/zinc/85/07/81/558850781.db2.gz GIOKGFHMBIOWEG-UHFFFAOYSA-N 1 1 409.530 4.345 40 0 HIABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]21 ZINC000019347734 558874083 /nfs/dbraw/zinc/87/40/83/558874083.db2.gz KIYUSGWPDXEEHF-MQSCRBSSSA-N 1 1 421.541 4.413 40 0 HIABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449629 558888198 /nfs/dbraw/zinc/88/81/98/558888198.db2.gz LSPDWHKPFODYAI-SANMLTNESA-N 1 1 414.553 4.103 40 0 HIABMO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](c2csnn2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000019500928 558898756 /nfs/dbraw/zinc/89/87/56/558898756.db2.gz NPJHEJPWQLMGGS-QRVBRYPASA-N 1 1 418.994 4.166 40 0 HIABMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](c2csnn2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000019500928 558898757 /nfs/dbraw/zinc/89/87/57/558898757.db2.gz NPJHEJPWQLMGGS-QRVBRYPASA-N 1 1 418.994 4.166 40 0 HIABMO CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000019500919 558898821 /nfs/dbraw/zinc/89/88/21/558898821.db2.gz PQCQHUOTAAACCV-RVKKMQEKSA-N 1 1 421.467 4.009 40 0 HIABMO CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000019500919 558898824 /nfs/dbraw/zinc/89/88/24/558898824.db2.gz PQCQHUOTAAACCV-RVKKMQEKSA-N 1 1 421.467 4.009 40 0 HIABMO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019529142 558910769 /nfs/dbraw/zinc/91/07/69/558910769.db2.gz BGYXEOVREAQPPC-AREMUKBSSA-N 1 1 414.553 4.023 40 0 HIABMO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccs2)C1 ZINC000019529176 558910898 /nfs/dbraw/zinc/91/08/98/558910898.db2.gz NBGLVYHADAYOHG-XMMPIXPASA-N 1 1 405.567 4.381 40 0 HIABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1CCc1ccccc1 ZINC000071938753 558914499 /nfs/dbraw/zinc/91/44/99/558914499.db2.gz WNKPJVFQXWIGNB-UHFFFAOYSA-N 1 1 414.549 4.234 40 0 HIABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OC1CCCC1 ZINC000019550134 558914874 /nfs/dbraw/zinc/91/48/74/558914874.db2.gz PFOAOCHPTYZDGI-HWHXTQLESA-N 1 1 408.542 4.141 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000019552166 558915826 /nfs/dbraw/zinc/91/58/26/558915826.db2.gz HTBPAFVOBJADOB-BJKOFHAPSA-N 1 1 422.500 4.423 40 0 HIABMO COc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000019552166 558915827 /nfs/dbraw/zinc/91/58/27/558915827.db2.gz HTBPAFVOBJADOB-BJKOFHAPSA-N 1 1 422.500 4.423 40 0 HIABMO COc1ccc(-c2cccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000019558369 558920147 /nfs/dbraw/zinc/92/01/47/558920147.db2.gz RSBUUOXOGUZFIQ-UHFFFAOYSA-N 1 1 417.553 4.092 40 0 HIABMO COc1cc(C)c(C[N@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)cc1OC ZINC000019567076 558926502 /nfs/dbraw/zinc/92/65/02/558926502.db2.gz UCLYMBACWAOELL-OAHLLOKOSA-N 1 1 414.531 4.207 40 0 HIABMO COc1cc(C)c(C[N@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)cc1OC ZINC000019567079 558926516 /nfs/dbraw/zinc/92/65/16/558926516.db2.gz UCLYMBACWAOELL-HNNXBMFYSA-N 1 1 414.531 4.207 40 0 HIABMO COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000019571650 558930089 /nfs/dbraw/zinc/93/00/89/558930089.db2.gz HMVYHJKXZWGBSQ-MHZLTWQESA-N 1 1 414.549 4.325 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019580308 558935766 /nfs/dbraw/zinc/93/57/66/558935766.db2.gz RBIYQWZBDZNERI-AREMUKBSSA-N 1 1 417.528 4.411 40 0 HIABMO CCN(C(=O)C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(N)=O)C1)c1cccc(C)c1 ZINC000072352202 558948282 /nfs/dbraw/zinc/94/82/82/558948282.db2.gz NJESBDQUMLXGOQ-KRWDZBQOSA-N 1 1 421.566 4.151 40 0 HIABMO CCN(C(=O)C[N@H+]1CC[C@H](c2c3ccccc3sc2C(N)=O)C1)c1cccc(C)c1 ZINC000072352202 558948283 /nfs/dbraw/zinc/94/82/83/558948283.db2.gz NJESBDQUMLXGOQ-KRWDZBQOSA-N 1 1 421.566 4.151 40 0 HIABMO O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000019657471 558949709 /nfs/dbraw/zinc/94/97/09/558949709.db2.gz INSWALCIGHXLTO-UHFFFAOYSA-N 1 1 413.477 4.139 40 0 HIABMO O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000019657471 558949712 /nfs/dbraw/zinc/94/97/12/558949712.db2.gz INSWALCIGHXLTO-UHFFFAOYSA-N 1 1 413.477 4.139 40 0 HIABMO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019687412 558957314 /nfs/dbraw/zinc/95/73/14/558957314.db2.gz KRZZFICQWBJQKA-HXUWFJFHSA-N 1 1 410.953 4.242 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019687420 558957397 /nfs/dbraw/zinc/95/73/97/558957397.db2.gz OXNDPIQLGJCVTQ-HXUWFJFHSA-N 1 1 410.953 4.242 40 0 HIABMO Cc1c(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000072371459 558958405 /nfs/dbraw/zinc/95/84/05/558958405.db2.gz HMJAYGUUKSCBRS-FQEVSTJZSA-N 1 1 407.562 4.186 40 0 HIABMO Cc1c(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000072371459 558958407 /nfs/dbraw/zinc/95/84/07/558958407.db2.gz HMJAYGUUKSCBRS-FQEVSTJZSA-N 1 1 407.562 4.186 40 0 HIABMO Cc1c(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000072371459 558958410 /nfs/dbraw/zinc/95/84/10/558958410.db2.gz HMJAYGUUKSCBRS-FQEVSTJZSA-N 1 1 407.562 4.186 40 0 HIABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)c2cccc3cccnc32)[nH+]1 ZINC000072372571 558960097 /nfs/dbraw/zinc/96/00/97/558960097.db2.gz ILRUPICXNLOJGF-OAQYLSRUSA-N 1 1 410.481 4.449 40 0 HIABMO Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)[nH+]1 ZINC000072372672 558960408 /nfs/dbraw/zinc/96/04/08/558960408.db2.gz FXWWMCMMACNSFR-SFHVURJKSA-N 1 1 400.548 4.339 40 0 HIABMO Cc1cc(Cc2ccccc2C)cc([C@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000019692029 558961628 /nfs/dbraw/zinc/96/16/28/558961628.db2.gz CYHFZFMTUBSVKL-XMMPIXPASA-N 1 1 401.558 4.482 40 0 HIABMO Cc1cc(Cc2ccccc2C)cc([C@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000019692029 558961631 /nfs/dbraw/zinc/96/16/31/558961631.db2.gz CYHFZFMTUBSVKL-XMMPIXPASA-N 1 1 401.558 4.482 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 ZINC000019694068 558962234 /nfs/dbraw/zinc/96/22/34/558962234.db2.gz VNZJOYDIDUYBFN-SFHVURJKSA-N 1 1 424.980 4.285 40 0 HIABMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)cc1CO ZINC000072376443 558965856 /nfs/dbraw/zinc/96/58/56/558965856.db2.gz ZDULXRCVEMABEG-NRFANRHFSA-N 1 1 419.529 4.152 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)cc1CO ZINC000072376443 558965858 /nfs/dbraw/zinc/96/58/58/558965858.db2.gz ZDULXRCVEMABEG-NRFANRHFSA-N 1 1 419.529 4.152 40 0 HIABMO FC(F)(F)c1cccnc1Nc1nccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072377623 558966953 /nfs/dbraw/zinc/96/69/53/558966953.db2.gz XCGZJWRACIQXDH-INIZCTEOSA-N 1 1 414.435 4.409 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394021 558973256 /nfs/dbraw/zinc/97/32/56/558973256.db2.gz KDQRGCOCUQFWMJ-XMMPIXPASA-N 1 1 423.488 4.264 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394013 558973311 /nfs/dbraw/zinc/97/33/11/558973311.db2.gz RRWUMRGSOATMIS-XMMPIXPASA-N 1 1 423.488 4.264 40 0 HIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000072398661 558976221 /nfs/dbraw/zinc/97/62/21/558976221.db2.gz ABPCOEQLDUNCQV-MBSDFSHPSA-N 1 1 422.479 4.138 40 0 HIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000072398661 558976224 /nfs/dbraw/zinc/97/62/24/558976224.db2.gz ABPCOEQLDUNCQV-MBSDFSHPSA-N 1 1 422.479 4.138 40 0 HIABMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000019715350 558976327 /nfs/dbraw/zinc/97/63/27/558976327.db2.gz MBRQYJKEHABJEO-UHFFFAOYSA-N 1 1 422.439 4.350 40 0 HIABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1 ZINC000019717155 558979617 /nfs/dbraw/zinc/97/96/17/558979617.db2.gz BWUUTEXDEPWFGH-LJQANCHMSA-N 1 1 405.542 4.436 40 0 HIABMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)nc2ccccn12 ZINC000585100063 559023724 /nfs/dbraw/zinc/02/37/24/559023724.db2.gz DPXFPWPZYLCVEA-SANMLTNESA-N 1 1 416.569 4.498 40 0 HIABMO Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100306 559023814 /nfs/dbraw/zinc/02/38/14/559023814.db2.gz AWTDGTJIKISBLZ-JOCHJYFZSA-N 1 1 403.473 4.231 40 0 HIABMO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@]2(CC[N@H+]2C[C@H]2CCCO2)C1 ZINC000585102303 559025941 /nfs/dbraw/zinc/02/59/41/559025941.db2.gz WSCVTLVYWMQCQY-NOZRDPDXSA-N 1 1 406.526 4.338 40 0 HIABMO CC(C)c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccnn4C)[C@H]3C2)cc1 ZINC000585109753 559029424 /nfs/dbraw/zinc/02/94/24/559029424.db2.gz PLPUUCRTWKVEMD-SONWIMMPSA-N 1 1 414.553 4.244 40 0 HIABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCC[N@H+]2CCc2ccccc2)n1 ZINC000585166781 559067366 /nfs/dbraw/zinc/06/73/66/559067366.db2.gz YIEQKMNZZOGYBG-DEOSSOPVSA-N 1 1 414.553 4.485 40 0 HIABMO O=S(=O)(c1ccccc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071298 559094332 /nfs/dbraw/zinc/09/43/32/559094332.db2.gz OBQXJZKVUBUZDM-OAQYLSRUSA-N 1 1 404.963 4.159 40 0 HIABMO Fc1cccc(Nc2ccc3nc(C4CC[NH+](Cc5nccs5)CC4)nn3c2)c1 ZINC000096267318 559108109 /nfs/dbraw/zinc/10/81/09/559108109.db2.gz HBIYQYHQSXVBAK-UHFFFAOYSA-N 1 1 408.506 4.448 40 0 HIABMO COC(=O)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)c1 ZINC000072360803 559185844 /nfs/dbraw/zinc/18/58/44/559185844.db2.gz NHPLOKCUFINGOF-JOCHJYFZSA-N 1 1 419.525 4.260 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3cccc(NC(C)=O)c3)C2)cc1 ZINC000072358404 559185998 /nfs/dbraw/zinc/18/59/98/559185998.db2.gz GBSOHUSGUFPATI-OAQYLSRUSA-N 1 1 416.525 4.490 40 0 HIABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccc4nccnc4c3)[nH]n2)cc1 ZINC000072378344 559186837 /nfs/dbraw/zinc/18/68/37/559186837.db2.gz HESROBBPNUOKIF-XMMPIXPASA-N 1 1 417.488 4.451 40 0 HIABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2OC)C1 ZINC000257288173 559285577 /nfs/dbraw/zinc/28/55/77/559285577.db2.gz PTEKYIBBFATKLI-SANMLTNESA-N 1 1 415.537 4.037 40 0 HIABMO Fc1ccc(Cn2nnnc2[C@H](c2ccc3ncccc3c2)[NH+]2CCCCCC2)cc1 ZINC000004230704 560602800 /nfs/dbraw/zinc/60/28/00/560602800.db2.gz AQHGAOLDHAVXDT-QHCPKHFHSA-N 1 1 416.504 4.374 40 0 HIABMO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000008579414 560637515 /nfs/dbraw/zinc/63/75/15/560637515.db2.gz VBSQCNJVSCCPRD-UHFFFAOYSA-N 1 1 420.561 4.273 40 0 HIABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000008579414 560637517 /nfs/dbraw/zinc/63/75/17/560637517.db2.gz VBSQCNJVSCCPRD-UHFFFAOYSA-N 1 1 420.561 4.273 40 0 HIABMO c1ccc(C[NH+]2CCN([C@H](c3nnnn3C3CCCCC3)c3ccccc3)CC2)cc1 ZINC000020121600 560880883 /nfs/dbraw/zinc/88/08/83/560880883.db2.gz JSCVAELOQBGRJZ-DEOSSOPVSA-N 1 1 416.573 4.086 40 0 HIABMO Cc1cccc(-c2noc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)n2)c1 ZINC000222595547 568519804 /nfs/dbraw/zinc/51/98/04/568519804.db2.gz TWRLVNLGLHTIBN-IBGZPJMESA-N 1 1 424.932 4.227 40 0 HIABMO COc1ccccc1OCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223415467 568548135 /nfs/dbraw/zinc/54/81/35/568548135.db2.gz GWROJKMTAGYFRV-UHFFFAOYSA-N 1 1 416.521 4.062 40 0 HIABMO Cc1ccccc1OCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223415237 568548192 /nfs/dbraw/zinc/54/81/92/568548192.db2.gz DTSZZNBQQYKPKJ-UHFFFAOYSA-N 1 1 400.522 4.362 40 0 HIABMO COc1cc(C)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C(C)C ZINC000223950878 568564088 /nfs/dbraw/zinc/56/40/88/568564088.db2.gz MQLAEPFXNMYXIB-UHFFFAOYSA-N 1 1 413.543 4.100 40 0 HIABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)CC1 ZINC000224210449 568573914 /nfs/dbraw/zinc/57/39/14/568573914.db2.gz NWSMSJOLQJZMFE-UHFFFAOYSA-N 1 1 402.922 4.014 40 0 HIABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224221010 568574076 /nfs/dbraw/zinc/57/40/76/568574076.db2.gz QLFYTIKOWWPZDV-UHFFFAOYSA-N 1 1 416.521 4.329 40 0 HIABMO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739459 568594539 /nfs/dbraw/zinc/59/45/39/568594539.db2.gz ZICUHIGZESDRBN-RUZDIDTESA-N 1 1 418.537 4.146 40 0 HIABMO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000225514632 568645404 /nfs/dbraw/zinc/64/54/04/568645404.db2.gz MMAMOSUIQYKCSS-FUHWJXTLSA-N 1 1 416.949 4.447 40 0 HIABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c(OC)c1 ZINC000225575453 568653061 /nfs/dbraw/zinc/65/30/61/568653061.db2.gz OKACEHQIRMNMEF-UHFFFAOYSA-N 1 1 406.885 4.347 40 0 HIABMO CCc1nc2cc(C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)ccc2n1C ZINC000225895478 568684030 /nfs/dbraw/zinc/68/40/30/568684030.db2.gz ZOZLKVTWUNMONA-UHFFFAOYSA-N 1 1 407.905 4.179 40 0 HIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257212912 568779832 /nfs/dbraw/zinc/77/98/32/568779832.db2.gz CFKQTAORIQGJBB-QHCPKHFHSA-N 1 1 423.605 4.371 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257219847 568782006 /nfs/dbraw/zinc/78/20/06/568782006.db2.gz DILIDLMFIXDAOM-OAQYLSRUSA-N 1 1 424.564 4.167 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257223260 568782993 /nfs/dbraw/zinc/78/29/93/568782993.db2.gz DWOVQMCGTUWQLG-LJQANCHMSA-N 1 1 412.921 4.432 40 0 HIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C3CCCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257225321 568783546 /nfs/dbraw/zinc/78/35/46/568783546.db2.gz FFSIXCPCCYCXKL-QHCPKHFHSA-N 1 1 423.605 4.417 40 0 HIABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+]2Cc2cccnc2)N1 ZINC000257226901 568784095 /nfs/dbraw/zinc/78/40/95/568784095.db2.gz FMRKZEFZTSSBNP-AABGKKOBSA-N 1 1 403.448 4.475 40 0 HIABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+]2Cc2cccnc2)N1 ZINC000257226901 568784098 /nfs/dbraw/zinc/78/40/98/568784098.db2.gz FMRKZEFZTSSBNP-AABGKKOBSA-N 1 1 403.448 4.475 40 0 HIABMO COc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4cc5c(cc4Cl)OCO5)C3)n2)cc1 ZINC000257241302 568787941 /nfs/dbraw/zinc/78/79/41/568787941.db2.gz HXOBVYYKNZLBOW-CQSZACIVSA-N 1 1 413.861 4.117 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257249951 568790269 /nfs/dbraw/zinc/79/02/69/568790269.db2.gz JKJOJBCUBJMFOQ-QHCPKHFHSA-N 1 1 420.601 4.336 40 0 HIABMO CC(C)C[C@H]1C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)CC[C@H]1Nc1ccccc1 ZINC000257252862 568791079 /nfs/dbraw/zinc/79/10/79/568791079.db2.gz JWKIOANWFKGDPN-NZQKXSOJSA-N 1 1 400.588 4.439 40 0 HIABMO CC(C)C[C@H]1C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)CC[C@H]1Nc1ccccc1 ZINC000257252862 568791082 /nfs/dbraw/zinc/79/10/82/568791082.db2.gz JWKIOANWFKGDPN-NZQKXSOJSA-N 1 1 400.588 4.439 40 0 HIABMO CN(C)Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257304437 568805826 /nfs/dbraw/zinc/80/58/26/568805826.db2.gz SLQQCYRLGIENPO-VWLOTQADSA-N 1 1 402.542 4.454 40 0 HIABMO CN(C)Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257304437 568805828 /nfs/dbraw/zinc/80/58/28/568805828.db2.gz SLQQCYRLGIENPO-VWLOTQADSA-N 1 1 402.542 4.454 40 0 HIABMO C[NH+](C)Cc1cccc([C@@H]2CCCN2Cc2cccc(OCc3ccccn3)c2)n1 ZINC000257304437 568805830 /nfs/dbraw/zinc/80/58/30/568805830.db2.gz SLQQCYRLGIENPO-VWLOTQADSA-N 1 1 402.542 4.454 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257334186 568814412 /nfs/dbraw/zinc/81/44/12/568814412.db2.gz YEXJBHMNVPVCKZ-IBGZPJMESA-N 1 1 412.921 4.432 40 0 HIABMO C[NH+]1CCN(CCCN2c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@H]32)CC1 ZINC000299888650 568877055 /nfs/dbraw/zinc/87/70/55/568877055.db2.gz RQVPJKVPRLTSPS-UYAOXDASSA-N 1 1 409.521 4.032 40 0 HIABMO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@@]12C[N@@H+](CC(C)C)CCO2 ZINC000306134272 568896258 /nfs/dbraw/zinc/89/62/58/568896258.db2.gz NHMXAHPZZVWBPZ-GBXCKJPGSA-N 1 1 411.546 4.049 40 0 HIABMO COc1ncccc1C[NH+]1CCC2(CC1)Oc1ccccc1-c1c2cnn1C(C)C ZINC000306142633 568904207 /nfs/dbraw/zinc/90/42/07/568904207.db2.gz XFAPOCBJUUFHQQ-UHFFFAOYSA-N 1 1 404.514 4.418 40 0 HIABMO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144596 568906148 /nfs/dbraw/zinc/90/61/48/568906148.db2.gz ZJUOGLCXDSJIQH-OZXSUGGESA-N 1 1 420.601 4.309 40 0 HIABMO COc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(OC)c1 ZINC000009063660 569342541 /nfs/dbraw/zinc/34/25/41/569342541.db2.gz KKHHDTHLESTQGF-UHFFFAOYSA-N 1 1 406.885 4.347 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000012408187 569344712 /nfs/dbraw/zinc/34/47/12/569344712.db2.gz OPTZURDZBWXKDN-PZJWPPBQSA-N 1 1 413.587 4.411 40 0 HIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3ccc(C)s3)C1)O2 ZINC000019217185 569345324 /nfs/dbraw/zinc/34/53/24/569345324.db2.gz MXSHNTGVESUWCV-WZONZLPQSA-N 1 1 414.571 4.087 40 0 HIABMO COc1ccc(OCc2sc([C@]3(O)CCC[N@@H+](CC4CC4)CC3)nc2C)cc1 ZINC000019705167 569347856 /nfs/dbraw/zinc/34/78/56/569347856.db2.gz VZLQLXPZTJUNFU-QFIPXVFZSA-N 1 1 402.560 4.123 40 0 HIABMO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cccc(-c4nnc[nH]4)c3)cc2)C1 ZINC000019711848 569348143 /nfs/dbraw/zinc/34/81/43/569348143.db2.gz SFUHEWLHRVBVFZ-YADHBBJMSA-N 1 1 419.529 4.286 40 0 HIABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019738673 569348456 /nfs/dbraw/zinc/34/84/56/569348456.db2.gz OBAYCCSTMALQPL-JOCHJYFZSA-N 1 1 404.551 4.296 40 0 HIABMO CC[N@@H+]1CCO[C@H](c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2)C1 ZINC000043201044 569351953 /nfs/dbraw/zinc/35/19/53/569351953.db2.gz SVIVAENOUMHBBT-QFIPXVFZSA-N 1 1 402.560 4.312 40 0 HIABMO CC[N@H+]1CCO[C@H](c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2)C1 ZINC000043201044 569351954 /nfs/dbraw/zinc/35/19/54/569351954.db2.gz SVIVAENOUMHBBT-QFIPXVFZSA-N 1 1 402.560 4.312 40 0 HIABMO CC1CC[NH+]([C@@H](C(=O)Nc2cnn(Cc3cccc(F)c3)c2)c2ccccc2)CC1 ZINC000141593698 569355050 /nfs/dbraw/zinc/35/50/50/569355050.db2.gz KBYUUZUQATVWNE-HSZRJFAPSA-N 1 1 406.505 4.482 40 0 HIABMO C[NH+](C)CCCNc1nc(C(F)(F)F)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328971662 571304434 /nfs/dbraw/zinc/30/44/34/571304434.db2.gz DRRCUDOYQAEACX-UHFFFAOYSA-N 1 1 423.270 4.605 40 0 HIABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)Cc3ccc(F)cc3N12 ZINC000225486225 291270316 /nfs/dbraw/zinc/27/03/16/291270316.db2.gz ZRJQHQFGFKFZEP-INIZCTEOSA-N 1 1 410.367 4.455 40 0 biogenic,in-vitro HIABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C)cc3C)cc2Cl)CC1 ZINC000006241879 132309827 /nfs/dbraw/zinc/30/98/27/132309827.db2.gz GMOQJFOZFPEKNL-UHFFFAOYSA-N 1 1 401.938 4.116 40 0 HIABMO O=C(C1CC1)N1CCCc2cc([C@H](O)C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291513 132358040 /nfs/dbraw/zinc/35/80/40/132358040.db2.gz MHDWISNBDOVHFY-RUZDIDTESA-N 1 1 420.528 4.338 40 0 HIABMO CCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1OCC ZINC000044883002 520993883 /nfs/dbraw/zinc/99/38/83/520993883.db2.gz BCDSTHGXHGOOMD-FQEVSTJZSA-N 1 1 414.521 4.152 40 0 HIABMO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225745628 521121611 /nfs/dbraw/zinc/12/16/11/521121611.db2.gz NGHUABJZEUYKCW-HSZRJFAPSA-N 1 1 406.567 4.102 40 0 HIABMO C[NH+]1CCN(C(=O)Cc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)CC1 ZINC000041127674 523875183 /nfs/dbraw/zinc/87/51/83/523875183.db2.gz CXUCWSNCRZQPMA-UHFFFAOYSA-N 1 1 404.297 4.118 40 0 HIABMO CCOC(=O)C1CC[NH+](c2ccc(NCc3cc4cc(C)ccc4[nH]c3=O)cc2)CC1 ZINC000012088320 535603439 /nfs/dbraw/zinc/60/34/39/535603439.db2.gz PEPGANNMWCDRPO-UHFFFAOYSA-N 1 1 419.525 4.228 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](CC3CC3)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 ZINC000019741429 558262097 /nfs/dbraw/zinc/26/20/97/558262097.db2.gz GYYFWDPOUZVIJS-FQEVSTJZSA-N 1 1 422.548 4.035 40 0 HIABMO CN(C(=O)c1nccc2ccccc21)[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)CC1 ZINC000019749717 558269484 /nfs/dbraw/zinc/26/94/84/558269484.db2.gz RSYYBBDUZWPREA-LJQANCHMSA-N 1 1 413.525 4.238 40 0 HIABMO CN(C(=O)c1nccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)CC1 ZINC000019749717 558269486 /nfs/dbraw/zinc/26/94/86/558269486.db2.gz RSYYBBDUZWPREA-LJQANCHMSA-N 1 1 413.525 4.238 40 0 HIABMO COc1ccc(NC(=O)c2cnc([C@@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)nc2C)cc1 ZINC000019766214 558278520 /nfs/dbraw/zinc/27/85/20/558278520.db2.gz YENZOGQKMLEJMM-GOSISDBHSA-N 1 1 420.488 4.175 40 0 HIABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000012119269 558330254 /nfs/dbraw/zinc/33/02/54/558330254.db2.gz QOFZDZAWONFNHJ-IBGZPJMESA-N 1 1 402.498 4.046 40 0 HIABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000020104241 558332746 /nfs/dbraw/zinc/33/27/46/558332746.db2.gz YQZHDIVSGGSURV-UHFFFAOYSA-N 1 1 410.326 4.107 40 0 HIABMO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2[nH]c3ccc(F)cc3c2C)n1 ZINC000012185992 558345170 /nfs/dbraw/zinc/34/51/70/558345170.db2.gz AFCKEVADYQBKNK-LJQANCHMSA-N 1 1 410.493 4.085 40 0 HIABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2[nH]c3ccc(F)cc3c2C)n1 ZINC000012185992 558345171 /nfs/dbraw/zinc/34/51/71/558345171.db2.gz AFCKEVADYQBKNK-LJQANCHMSA-N 1 1 410.493 4.085 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cc1 ZINC000012328641 558383730 /nfs/dbraw/zinc/38/37/30/558383730.db2.gz VDFHRHLBBGMDMU-NQIIRXRSSA-N 1 1 418.459 4.451 40 0 HIABMO COc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(OC)cc1Cl ZINC000030942717 558745875 /nfs/dbraw/zinc/74/58/75/558745875.db2.gz IEPOVLZTEMFOFB-OAHLLOKOSA-N 1 1 406.885 4.347 40 0 HIABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000038834463 558817681 /nfs/dbraw/zinc/81/76/81/558817681.db2.gz XVGUOUVSDDEGDR-SFHVURJKSA-N 1 1 400.906 4.367 40 0 HIABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000018217075 558833775 /nfs/dbraw/zinc/83/37/75/558833775.db2.gz IXCXRGRQNMXIJX-UHFFFAOYSA-N 1 1 416.521 4.028 40 0 HIABMO COc1c(C)cccc1C[N@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019235970 558855135 /nfs/dbraw/zinc/85/51/35/558855135.db2.gz KGEIDOORYSNNFT-FQEVSTJZSA-N 1 1 417.557 4.301 40 0 HIABMO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019446649 558886332 /nfs/dbraw/zinc/88/63/32/558886332.db2.gz LITUWZJQYZIBIR-WZONZLPQSA-N 1 1 401.501 4.475 40 0 HIABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449596 558887954 /nfs/dbraw/zinc/88/79/54/558887954.db2.gz XWFCVBAVSUAPMF-SANMLTNESA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019454307 558891287 /nfs/dbraw/zinc/89/12/87/558891287.db2.gz JNGMAKAHJIHTBV-RXVVDRJESA-N 1 1 419.525 4.439 40 0 HIABMO COc1ccc2c(c1)c(C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)cn2C(C)C ZINC000019454783 558891549 /nfs/dbraw/zinc/89/15/49/558891549.db2.gz XLSVEHPAVUVPAW-WPUZRXDDSA-N 1 1 422.573 4.084 40 0 HIABMO C[C@H](NC(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1)c1cc2cc(Cl)ccc2o1 ZINC000019458509 558892623 /nfs/dbraw/zinc/89/26/23/558892623.db2.gz ZSTLIDHLKKPAHT-HOTGVXAUSA-N 1 1 403.954 4.070 40 0 HIABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)no2)CC1 ZINC000019496737 558895620 /nfs/dbraw/zinc/89/56/20/558895620.db2.gz DGWCEUXBHUPOLH-KRWDZBQOSA-N 1 1 403.473 4.205 40 0 HIABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)no2)CC1 ZINC000019496737 558895623 /nfs/dbraw/zinc/89/56/23/558895623.db2.gz DGWCEUXBHUPOLH-KRWDZBQOSA-N 1 1 403.473 4.205 40 0 HIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1c(C)nn(Cc2ccccc2)c1C)Cc1cccnc1 ZINC000019527185 558908228 /nfs/dbraw/zinc/90/82/28/558908228.db2.gz RYJCSKHRVYUBAT-RUZDIDTESA-N 1 1 417.601 4.430 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019579589 558935158 /nfs/dbraw/zinc/93/51/58/558935158.db2.gz NROMFBNFSZNZBI-AREMUKBSSA-N 1 1 414.553 4.057 40 0 HIABMO COCCOc1cccc(C[N@@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1 ZINC000019593803 558944894 /nfs/dbraw/zinc/94/48/94/558944894.db2.gz KCAOUJBOFCVANG-UHFFFAOYSA-N 1 1 400.425 4.203 40 0 HIABMO COCCOc1cccc(C[N@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1 ZINC000019593803 558944896 /nfs/dbraw/zinc/94/48/96/558944896.db2.gz KCAOUJBOFCVANG-UHFFFAOYSA-N 1 1 400.425 4.203 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(F)cc23)C1 ZINC000072352530 558948928 /nfs/dbraw/zinc/94/89/28/558948928.db2.gz HYZDYNYYAKPYKD-CQSZACIVSA-N 1 1 422.529 4.276 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000072352510 558948989 /nfs/dbraw/zinc/94/89/89/558948989.db2.gz MKVATFAHHPIQBV-IBGZPJMESA-N 1 1 416.587 4.231 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000072352510 558948990 /nfs/dbraw/zinc/94/89/90/558948990.db2.gz MKVATFAHHPIQBV-IBGZPJMESA-N 1 1 416.587 4.231 40 0 HIABMO Cn1cc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2cc(F)ccc21 ZINC000072352529 558949031 /nfs/dbraw/zinc/94/90/31/558949031.db2.gz FWGLAQXQNPOZEJ-CYBMUJFWSA-N 1 1 408.502 4.016 40 0 HIABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc(Nc3ccccn3)cn1)OCCO2 ZINC000072353193 558949804 /nfs/dbraw/zinc/94/98/04/558949804.db2.gz TWYUAGNWXXAFRD-FQEVSTJZSA-N 1 1 418.497 4.337 40 0 HIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc(Nc3ccccn3)cn1)OCCO2 ZINC000072353193 558949806 /nfs/dbraw/zinc/94/98/06/558949806.db2.gz TWYUAGNWXXAFRD-FQEVSTJZSA-N 1 1 418.497 4.337 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)s1 ZINC000072371797 558959073 /nfs/dbraw/zinc/95/90/73/558959073.db2.gz QRJAFZDJFVLVMY-HNNXBMFYSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)s1 ZINC000072371797 558959076 /nfs/dbraw/zinc/95/90/76/558959076.db2.gz QRJAFZDJFVLVMY-HNNXBMFYSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)s1 ZINC000072371797 558959080 /nfs/dbraw/zinc/95/90/80/558959080.db2.gz QRJAFZDJFVLVMY-HNNXBMFYSA-N 1 1 402.951 4.439 40 0 HIABMO NC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000019697726 558965515 /nfs/dbraw/zinc/96/55/15/558965515.db2.gz FTNVRVSSSUBQFX-IBGZPJMESA-N 1 1 403.507 4.122 40 0 HIABMO NC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000019697726 558965518 /nfs/dbraw/zinc/96/55/18/558965518.db2.gz FTNVRVSSSUBQFX-IBGZPJMESA-N 1 1 403.507 4.122 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394012 558973263 /nfs/dbraw/zinc/97/32/63/558973263.db2.gz RRWUMRGSOATMIS-DEOSSOPVSA-N 1 1 423.488 4.264 40 0 HIABMO CCOC(=O)C1(Cc2cc(-c3cccc(C)c3)no2)CC[NH+](Cc2ccccn2)CC1 ZINC000072393964 558973298 /nfs/dbraw/zinc/97/32/98/558973298.db2.gz NGRXNYYVNPPCHY-UHFFFAOYSA-N 1 1 419.525 4.433 40 0 HIABMO Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000019718664 558981911 /nfs/dbraw/zinc/98/19/11/558981911.db2.gz PDFPCOZXALPGOM-QHCPKHFHSA-N 1 1 423.944 4.390 40 0 HIABMO COc1cccc([C@@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)c1OC ZINC000073334468 558986335 /nfs/dbraw/zinc/98/63/35/558986335.db2.gz QUAKHYXKSRPYCZ-PKAUSPCKSA-N 1 1 411.498 4.405 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCCN3C(=O)c3cc(C(C)C)on3)CC2)cc1 ZINC000585100069 559023730 /nfs/dbraw/zinc/02/37/30/559023730.db2.gz DUCXTVGJJQIMSY-XMMPIXPASA-N 1 1 411.546 4.468 40 0 HIABMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)nc2ccccn12 ZINC000585100486 559024040 /nfs/dbraw/zinc/02/40/40/559024040.db2.gz LDQQSHNZXIKRHI-VWLOTQADSA-N 1 1 420.532 4.329 40 0 HIABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCCN2C(=O)COc2ccccc2C)CC1 ZINC000585099964 559024459 /nfs/dbraw/zinc/02/44/59/559024459.db2.gz BKKAUGNJXBSVRQ-DEOSSOPVSA-N 1 1 411.546 4.026 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)COc2ccc4ccccc4c2)C3)s1 ZINC000585102126 559025180 /nfs/dbraw/zinc/02/51/80/559025180.db2.gz SORUQGJSKMVLLB-DEOSSOPVSA-N 1 1 421.566 4.251 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)COc2ccc4ccccc4c2)C3)s1 ZINC000585102126 559025182 /nfs/dbraw/zinc/02/51/82/559025182.db2.gz SORUQGJSKMVLLB-DEOSSOPVSA-N 1 1 421.566 4.251 40 0 HIABMO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@]2(CC[N@H+]2C[C@@H]2CCCO2)C1 ZINC000585102307 559026127 /nfs/dbraw/zinc/02/61/27/559026127.db2.gz WSCVTLVYWMQCQY-ZCYQVOJMSA-N 1 1 406.526 4.338 40 0 HIABMO O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000096071293 559094319 /nfs/dbraw/zinc/09/43/19/559094319.db2.gz WHBMLVSIULOTLK-NRFANRHFSA-N 1 1 404.963 4.159 40 0 HIABMO O=C(NCc1cccs1)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1ccccc1 ZINC000107181317 559164770 /nfs/dbraw/zinc/16/47/70/559164770.db2.gz AQXCUUVJXNVDKQ-LADGPHEKSA-N 1 1 404.535 4.065 40 0 HIABMO O=C(NCc1cccs1)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1ccccc1 ZINC000107181317 559164772 /nfs/dbraw/zinc/16/47/72/559164772.db2.gz AQXCUUVJXNVDKQ-LADGPHEKSA-N 1 1 404.535 4.065 40 0 HIABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000000894509 560543575 /nfs/dbraw/zinc/54/35/75/560543575.db2.gz GNIDPOGIAYHLID-QFIPXVFZSA-N 1 1 420.561 4.212 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000909856 560546012 /nfs/dbraw/zinc/54/60/12/560546012.db2.gz PIWGSERSCRSZPH-NRFANRHFSA-N 1 1 422.577 4.242 40 0 HIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004161745 560601910 /nfs/dbraw/zinc/60/19/10/560601910.db2.gz ZQUGWXFXTRMFPU-HRAATJIYSA-N 1 1 422.577 4.043 40 0 HIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004161745 560601912 /nfs/dbraw/zinc/60/19/12/560601912.db2.gz ZQUGWXFXTRMFPU-HRAATJIYSA-N 1 1 422.577 4.043 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161776 560601924 /nfs/dbraw/zinc/60/19/24/560601924.db2.gz PKMBOXDYUVSEEH-YCRPNKLZSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161776 560601925 /nfs/dbraw/zinc/60/19/25/560601925.db2.gz PKMBOXDYUVSEEH-YCRPNKLZSA-N 1 1 422.577 4.098 40 0 HIABMO Fc1ccc(-c2nsc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057681240 568493964 /nfs/dbraw/zinc/49/39/64/568493964.db2.gz WZEJFEDYLHFSJI-UHFFFAOYSA-N 1 1 405.502 4.215 40 0 HIABMO CCOc1ccc(S(=O)(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000223002769 568533965 /nfs/dbraw/zinc/53/39/65/568533965.db2.gz MYQNYKJESCZSRW-UHFFFAOYSA-N 1 1 419.934 4.067 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccc(Cl)cc1 ZINC000224504311 568582923 /nfs/dbraw/zinc/58/29/23/568582923.db2.gz FWOWRBBXERZWSB-UHFFFAOYSA-N 1 1 402.922 4.095 40 0 HIABMO O=C(NCCOc1ccccc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544282 568584429 /nfs/dbraw/zinc/58/44/29/568584429.db2.gz HUDUMECBMLZQJO-UHFFFAOYSA-N 1 1 407.341 4.401 40 0 HIABMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224586032 568586401 /nfs/dbraw/zinc/58/64/01/568586401.db2.gz GXQBSWPLWICSES-HXUWFJFHSA-N 1 1 410.558 4.034 40 0 HIABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)/C(=C/c1ccccc1)c1ccccc1 ZINC000224707687 568593220 /nfs/dbraw/zinc/59/32/20/568593220.db2.gz PYNKNWXVYNEDJP-LGUFXXKBSA-N 1 1 412.533 4.376 40 0 HIABMO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739960 568594480 /nfs/dbraw/zinc/59/44/80/568594480.db2.gz VZAAEELHHJKMTN-NRFANRHFSA-N 1 1 418.990 4.359 40 0 HIABMO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCN(Cc2ccccc2F)CC1 ZINC000224840014 568599523 /nfs/dbraw/zinc/59/95/23/568599523.db2.gz AWNOVGLRRYJTLV-UHFFFAOYSA-N 1 1 423.576 4.340 40 0 HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000225298641 568628747 /nfs/dbraw/zinc/62/87/47/568628747.db2.gz GJEDHKFWQBFHIB-UHFFFAOYSA-N 1 1 402.498 4.118 40 0 HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000225300771 568628890 /nfs/dbraw/zinc/62/88/90/568628890.db2.gz IEEYKBTWMVIGBG-UHFFFAOYSA-N 1 1 421.888 4.215 40 0 HIABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1OCC ZINC000095534577 568635768 /nfs/dbraw/zinc/63/57/68/568635768.db2.gz GFCXKEDPRREQCW-QGZVFWFLSA-N 1 1 406.408 4.336 40 0 HIABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1 ZINC000225456351 568639608 /nfs/dbraw/zinc/63/96/08/568639608.db2.gz KQFKIZQXWPUEJM-UHFFFAOYSA-N 1 1 401.333 4.430 40 0 HIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225583650 568654245 /nfs/dbraw/zinc/65/42/45/568654245.db2.gz LVSNUYYWAVALMP-IBGZPJMESA-N 1 1 402.608 4.063 40 0 HIABMO Cc1nc(C2CC2)ncc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225791981 568675161 /nfs/dbraw/zinc/67/51/61/568675161.db2.gz MLKQVOISIAJGPH-UHFFFAOYSA-N 1 1 412.537 4.210 40 0 HIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257207065 568778094 /nfs/dbraw/zinc/77/80/94/568778094.db2.gz BGEUTIICEXHNDD-HXUWFJFHSA-N 1 1 418.516 4.403 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257214572 568780431 /nfs/dbraw/zinc/78/04/31/568780431.db2.gz CMMRCOSKAASDQU-OAQYLSRUSA-N 1 1 424.564 4.167 40 0 HIABMO O=C1O[C@@]2(CN1c1cccc(Cl)c1)COCC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000257218739 568781607 /nfs/dbraw/zinc/78/16/07/568781607.db2.gz DEGPPRBAQPPBCH-QHCPKHFHSA-N 1 1 423.900 4.116 40 0 HIABMO CC(C)C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n(C)n2)C1 ZINC000257227289 568784194 /nfs/dbraw/zinc/78/41/94/568784194.db2.gz FONLMMJELRWPGL-FQEVSTJZSA-N 1 1 411.468 4.090 40 0 HIABMO CC(C)C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n(C)n2)C1 ZINC000257227289 568784195 /nfs/dbraw/zinc/78/41/95/568784195.db2.gz FONLMMJELRWPGL-FQEVSTJZSA-N 1 1 411.468 4.090 40 0 HIABMO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)c(C)c1C ZINC000257246493 568789380 /nfs/dbraw/zinc/78/93/80/568789380.db2.gz IUIGNJXFMXLMQL-QFIPXVFZSA-N 1 1 419.529 4.123 40 0 HIABMO COc1cc(C)c(C[N@H+]2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)c(C)c1C ZINC000257246493 568789382 /nfs/dbraw/zinc/78/93/82/568789382.db2.gz IUIGNJXFMXLMQL-QFIPXVFZSA-N 1 1 419.529 4.123 40 0 HIABMO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)ccc2c1N ZINC000257265586 568794206 /nfs/dbraw/zinc/79/42/06/568794206.db2.gz LZHHXUUBJRVDSE-SFHVURJKSA-N 1 1 412.534 4.447 40 0 HIABMO COc1ccccc1Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)C3)ccn1 ZINC000257277020 568797511 /nfs/dbraw/zinc/79/75/11/568797511.db2.gz NWCZUIJOYFMDRB-GEMTWJNPSA-N 1 1 419.569 4.158 40 0 HIABMO COc1ccccc1OCCc1cc([C@H]2C[N@@H+](CC3CCCCC3)CCO2)nn1C ZINC000257286641 568800393 /nfs/dbraw/zinc/80/03/93/568800393.db2.gz PMIMFPWSBQFQED-XMMPIXPASA-N 1 1 413.562 4.004 40 0 HIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257308675 568807104 /nfs/dbraw/zinc/80/71/04/568807104.db2.gz TXRFFXANAYVACA-HXUWFJFHSA-N 1 1 424.564 4.213 40 0 HIABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN(CC(=O)Nc4ccccn4)C3)c2)n1 ZINC000257313487 568808416 /nfs/dbraw/zinc/80/84/16/568808416.db2.gz USSOYMACYRTFOI-KRWDZBQOSA-N 1 1 422.558 4.112 40 0 HIABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ccncc3)CC2)sc1COc1ccccc1 ZINC000257342888 568817015 /nfs/dbraw/zinc/81/70/15/568817015.db2.gz ZQMQSDGFFNPRSK-QHCPKHFHSA-N 1 1 409.555 4.299 40 0 HIABMO c1csc(C[N@@H+]2CC[C@]3(C2)CO[C@H](c2ccccc2)CN3Cc2ccccn2)c1 ZINC000306140617 568902266 /nfs/dbraw/zinc/90/22/66/568902266.db2.gz UYYUSEUTXQTNPQ-ZEQRLZLVSA-N 1 1 405.567 4.361 40 0 HIABMO Cc1ccsc1C[N@@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306144786 568906240 /nfs/dbraw/zinc/90/62/40/568906240.db2.gz ZOKVUXPNVHPKFQ-WMZHIEFXSA-N 1 1 412.603 4.062 40 0 HIABMO O=C(CCn1ccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198649 569058990 /nfs/dbraw/zinc/05/89/90/569058990.db2.gz FJWSWFYQJWQWGW-LDLPXMKRSA-N 1 1 403.570 4.453 40 0 HIABMO C[C@@H]1CCCC[N@H+]1[C@H](C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000248158923 569316508 /nfs/dbraw/zinc/31/65/08/569316508.db2.gz WOSNLWWKJPNUKB-YSZBQJHXSA-N 1 1 420.532 4.381 40 0 HIABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cccc3c2C(=O)N(C)C3)cc1 ZINC000253602363 569318415 /nfs/dbraw/zinc/31/84/15/569318415.db2.gz NVTVUXPLEMAGKC-PKOBYXMFSA-N 1 1 405.542 4.045 40 0 HIABMO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009063662 569342521 /nfs/dbraw/zinc/34/25/21/569342521.db2.gz KHEMRQRZMVJWGA-UHFFFAOYSA-N 1 1 406.885 4.347 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1 ZINC000012365832 569344774 /nfs/dbraw/zinc/34/47/74/569344774.db2.gz DAMWBOGYLLXOCT-TZIWHRDSSA-N 1 1 413.587 4.410 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000012408193 569344814 /nfs/dbraw/zinc/34/48/14/569344814.db2.gz UQPOIYUGEBOZJL-PZJWPPBQSA-N 1 1 413.587 4.411 40 0 HIABMO O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019014833 569345200 /nfs/dbraw/zinc/34/52/00/569345200.db2.gz RKILYBBUVGMIPN-XMSQKQJNSA-N 1 1 424.589 4.140 40 0 HIABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000019766969 569429667 /nfs/dbraw/zinc/42/96/67/569429667.db2.gz JWBDTDCYTCKDCX-HSZRJFAPSA-N 1 1 400.526 4.442 40 0 HIABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2Cl)CC1 ZINC000006241851 132309822 /nfs/dbraw/zinc/30/98/22/132309822.db2.gz QQVFGLWGQLRSMI-UHFFFAOYSA-N 1 1 401.938 4.116 40 0 HIABMO Cc1nc([C@@H]2CCC[N@H+](C3CCCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019744499 558264983 /nfs/dbraw/zinc/26/49/83/558264983.db2.gz QQGUKIXWPNTMNC-OAQYLSRUSA-N 1 1 418.585 4.429 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753331 558272538 /nfs/dbraw/zinc/27/25/38/558272538.db2.gz KHMXFKHUXPBLLN-QFIPXVFZSA-N 1 1 404.489 4.191 40 0 HIABMO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753331 558272541 /nfs/dbraw/zinc/27/25/41/558272541.db2.gz KHMXFKHUXPBLLN-QFIPXVFZSA-N 1 1 404.489 4.191 40 0 HIABMO Cc1nc([C@@H]2CCC[N@H+]2CCCc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019753818 558273122 /nfs/dbraw/zinc/27/31/22/558273122.db2.gz LXEISLKCQMCAQG-DEOSSOPVSA-N 1 1 414.553 4.485 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)N1CCCCC1 ZINC000019766084 558278312 /nfs/dbraw/zinc/27/83/12/558278312.db2.gz OZQKVTGFMSDJBO-NRFANRHFSA-N 1 1 417.557 4.272 40 0 HIABMO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2nc3ccccc3n2C(C)C)CC1 ZINC000012116974 558328717 /nfs/dbraw/zinc/32/87/17/558328717.db2.gz SBOLPHCHJSAJSW-UHFFFAOYSA-N 1 1 408.521 4.384 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187256 558346308 /nfs/dbraw/zinc/34/63/08/558346308.db2.gz AUGWHMRFALREIY-HSZRJFAPSA-N 1 1 424.541 4.012 40 0 HIABMO COCCOc1ccc(C[N@@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cc1 ZINC000012241255 558360464 /nfs/dbraw/zinc/36/04/64/558360464.db2.gz BDVWEZLMKPRPLA-UHFFFAOYSA-N 1 1 400.425 4.203 40 0 HIABMO COCCOc1ccc(C[N@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cc1 ZINC000012241255 558360465 /nfs/dbraw/zinc/36/04/65/558360465.db2.gz BDVWEZLMKPRPLA-UHFFFAOYSA-N 1 1 400.425 4.203 40 0 HIABMO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030942555 558745703 /nfs/dbraw/zinc/74/57/03/558745703.db2.gz RELGROFZNYGTOS-SFHVURJKSA-N 1 1 411.521 4.205 40 0 HIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2Cl)CC1 ZINC000016681541 558799351 /nfs/dbraw/zinc/79/93/51/558799351.db2.gz PCYRVSQEJJCQDU-UHFFFAOYSA-N 1 1 422.754 4.497 40 0 HIABMO O=C(C[NH+]1CCC(Cn2cnc3ccccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000038535516 558812630 /nfs/dbraw/zinc/81/26/30/558812630.db2.gz YUTWTBGVDIUALU-UHFFFAOYSA-N 1 1 416.447 4.406 40 0 HIABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000038834247 558817376 /nfs/dbraw/zinc/81/73/76/558817376.db2.gz UMRPUCOLXUHAKX-UHFFFAOYSA-N 1 1 403.320 4.308 40 0 HIABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038857299 558819377 /nfs/dbraw/zinc/81/93/77/558819377.db2.gz WDIKLVVJRCANMU-LJQANCHMSA-N 1 1 415.940 4.040 40 0 HIABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000019234960 558854182 /nfs/dbraw/zinc/85/41/82/558854182.db2.gz OAVJKABNINHNRL-SANMLTNESA-N 1 1 414.553 4.023 40 0 HIABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019236845 558856040 /nfs/dbraw/zinc/85/60/40/558856040.db2.gz LXFLZVAOCGTPQK-YKSBVNFPSA-N 1 1 400.526 4.168 40 0 HIABMO O=c1cc([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc(-c2ccncc2)[nH]1 ZINC000019292613 558864411 /nfs/dbraw/zinc/86/44/11/558864411.db2.gz WUTCATSAZACOIB-AWEZNQCLSA-N 1 1 401.297 4.128 40 0 HIABMO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccn1 ZINC000019400815 558883443 /nfs/dbraw/zinc/88/34/43/558883443.db2.gz GRVUTTRFJMSDJH-QHCPKHFHSA-N 1 1 422.479 4.138 40 0 HIABMO COc1ccc2nc(C[N@H+](Cc3ccc(OC)c(OC)c3)C[C@@H]3CCCO3)ccc2c1 ZINC000057811193 558890941 /nfs/dbraw/zinc/89/09/41/558890941.db2.gz KFKXXLRLHVGRPK-QFIPXVFZSA-N 1 1 422.525 4.442 40 0 HIABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)no2)CC1 ZINC000019496745 558895736 /nfs/dbraw/zinc/89/57/36/558895736.db2.gz YXGUVGBUQVCGFZ-NRFANRHFSA-N 1 1 418.541 4.475 40 0 HIABMO CCN1CC[N@@H+](CC2=CCCOC2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527661 558908885 /nfs/dbraw/zinc/90/88/85/558908885.db2.gz HVZUKXKRVANQBG-DEOSSOPVSA-N 1 1 404.554 4.023 40 0 HIABMO CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019529145 558910784 /nfs/dbraw/zinc/91/07/84/558910784.db2.gz TXVIREXLJIDLMN-SANMLTNESA-N 1 1 414.553 4.023 40 0 HIABMO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccc2F)C1 ZINC000019529151 558910903 /nfs/dbraw/zinc/91/09/03/558910903.db2.gz PRALENAWXWVANA-SANMLTNESA-N 1 1 417.528 4.459 40 0 HIABMO COc1ccc(-c2ncc(C[N@@H+](Cc3cccc(OC)c3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019558564 558920368 /nfs/dbraw/zinc/92/03/68/558920368.db2.gz XXQGPABXJQRGPG-DEOSSOPVSA-N 1 1 419.525 4.342 40 0 HIABMO COc1ccc(-c2ncc(C[N@H+](Cc3cccc(OC)c3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019558564 558920370 /nfs/dbraw/zinc/92/03/70/558920370.db2.gz XXQGPABXJQRGPG-DEOSSOPVSA-N 1 1 419.525 4.342 40 0 HIABMO COc1ccccc1NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019571301 558929852 /nfs/dbraw/zinc/92/98/52/558929852.db2.gz RWBLUICYQGUWEZ-KRWDZBQOSA-N 1 1 409.461 4.454 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019579620 558935278 /nfs/dbraw/zinc/93/52/78/558935278.db2.gz KDYYWAODJDBSLC-SANMLTNESA-N 1 1 414.553 4.057 40 0 HIABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000072345458 558941809 /nfs/dbraw/zinc/94/18/09/558941809.db2.gz QNYCKHKPBUCSJS-HSZRJFAPSA-N 1 1 400.526 4.442 40 0 HIABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000072345458 558941810 /nfs/dbraw/zinc/94/18/10/558941810.db2.gz QNYCKHKPBUCSJS-HSZRJFAPSA-N 1 1 400.526 4.442 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 ZINC000072346167 558942847 /nfs/dbraw/zinc/94/28/47/558942847.db2.gz DVLIYRYKBBACCW-LJQANCHMSA-N 1 1 419.504 4.203 40 0 HIABMO COCCOc1ccc([C@@H]2[NH2+][C@H](c3cccnc3)Cc3cc(OC)ccc32)cc1OC ZINC000019593767 558944827 /nfs/dbraw/zinc/94/48/27/558944827.db2.gz VOESWNLJVYVASF-DHLKQENFSA-N 1 1 420.509 4.100 40 0 HIABMO COCc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019594347 558945318 /nfs/dbraw/zinc/94/53/18/558945318.db2.gz RRWMPVHZJKCRCE-NRFANRHFSA-N 1 1 420.513 4.126 40 0 HIABMO COCc1ccc(OC)c(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019594347 558945320 /nfs/dbraw/zinc/94/53/20/558945320.db2.gz RRWMPVHZJKCRCE-NRFANRHFSA-N 1 1 420.513 4.126 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3ccc(F)cc23)C1 ZINC000072352531 558948939 /nfs/dbraw/zinc/94/89/39/558948939.db2.gz HYZDYNYYAKPYKD-AWEZNQCLSA-N 1 1 422.529 4.276 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072352542 558948967 /nfs/dbraw/zinc/94/89/67/558948967.db2.gz VJGVAOPAGDXNNB-MRXNPFEDSA-N 1 1 402.523 4.194 40 0 HIABMO CC(C)N(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Nc2ncccn2)cn1)C1CCCCC1 ZINC000072353211 558949852 /nfs/dbraw/zinc/94/98/52/558949852.db2.gz DDKOHUKPSVQVPU-QFIPXVFZSA-N 1 1 422.577 4.322 40 0 HIABMO CC(C)N(C(=O)C[N@H+]1CCC[C@H]1c1ccc(Nc2ncccn2)cn1)C1CCCCC1 ZINC000072353211 558949854 /nfs/dbraw/zinc/94/98/54/558949854.db2.gz DDKOHUKPSVQVPU-QFIPXVFZSA-N 1 1 422.577 4.322 40 0 HIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H](c2cncc(Nc3ncccc3C)n2)C1 ZINC000072354369 558951651 /nfs/dbraw/zinc/95/16/51/558951651.db2.gz MDZSFPFZOHDQIM-SFHVURJKSA-N 1 1 419.529 4.320 40 0 HIABMO O=C(C[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)NC1CCCCC1 ZINC000072359414 558954986 /nfs/dbraw/zinc/95/49/86/558954986.db2.gz UQTUSWRUUWYOTL-SFHVURJKSA-N 1 1 412.965 4.425 40 0 HIABMO O=C(C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)NC1CCCCC1 ZINC000072359414 558954987 /nfs/dbraw/zinc/95/49/87/558954987.db2.gz UQTUSWRUUWYOTL-SFHVURJKSA-N 1 1 412.965 4.425 40 0 HIABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)cn1 ZINC000019691924 558961481 /nfs/dbraw/zinc/96/14/81/558961481.db2.gz FSDPCXQMDFWSLQ-DEOSSOPVSA-N 1 1 420.532 4.436 40 0 HIABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)cn1 ZINC000019691924 558961483 /nfs/dbraw/zinc/96/14/83/558961483.db2.gz FSDPCXQMDFWSLQ-DEOSSOPVSA-N 1 1 420.532 4.436 40 0 HIABMO Cc1c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)cnn1C ZINC000019694051 558962095 /nfs/dbraw/zinc/96/20/95/558962095.db2.gz FIYMIZANHATITH-GOSISDBHSA-N 1 1 424.980 4.285 40 0 HIABMO CC(C)N(C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Nc2cnccn2)n1)C1CCCCC1 ZINC000072375816 558964874 /nfs/dbraw/zinc/96/48/74/558964874.db2.gz FJPCETGORCDXES-NRFANRHFSA-N 1 1 422.577 4.322 40 0 HIABMO CC(C)N(C(=O)C[N@H+]1CCC[C@H]1c1cccc(Nc2cnccn2)n1)C1CCCCC1 ZINC000072375816 558964878 /nfs/dbraw/zinc/96/48/78/558964878.db2.gz FJPCETGORCDXES-NRFANRHFSA-N 1 1 422.577 4.322 40 0 HIABMO FC(F)(F)c1cccnc1Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072377622 558966713 /nfs/dbraw/zinc/96/67/13/558966713.db2.gz XCGZJWRACIQXDH-MRXNPFEDSA-N 1 1 414.435 4.409 40 0 HIABMO C[C@@H](C[N@H+]1CCN(C)C(=O)[C@H](Cc2ccccc2-c2ccncc2)C1)c1ccccc1 ZINC000072388967 558969374 /nfs/dbraw/zinc/96/93/74/558969374.db2.gz XYROXZOIPUUQIU-SQJMNOBHSA-N 1 1 413.565 4.485 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072394069 558973326 /nfs/dbraw/zinc/97/33/26/558973326.db2.gz BUALUNSRGCJFMP-RUZDIDTESA-N 1 1 419.525 4.433 40 0 HIABMO CCOc1ccccc1C[N@H+](Cc1ccncc1)[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000072395069 558973839 /nfs/dbraw/zinc/97/38/39/558973839.db2.gz SCSTWPTWGBWNPX-FYYLOGMGSA-N 1 1 407.514 4.037 40 0 HIABMO CCOc1ccccc1C[N@@H+](Cc1ccncc1)[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000072395069 558973841 /nfs/dbraw/zinc/97/38/41/558973841.db2.gz SCSTWPTWGBWNPX-FYYLOGMGSA-N 1 1 407.514 4.037 40 0 HIABMO Cc1nc2ccccc2n1Cc1cc(NCc2ccccc2OC(C)C)nc(N)[nH+]1 ZINC000072399275 558976841 /nfs/dbraw/zinc/97/68/41/558976841.db2.gz HSJOOVFNPSFJCW-UHFFFAOYSA-N 1 1 402.502 4.165 40 0 HIABMO O=C(Cc1ccccc1F)NC[C@H]1CC[C@H](c2c[nH+]cn2Cc2cccnc2)CC1 ZINC000257263874 558995019 /nfs/dbraw/zinc/99/50/19/558995019.db2.gz LRUXKHUMAWGKMP-KESTWPANSA-N 1 1 406.505 4.098 40 0 HIABMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)nc2ccccn12 ZINC000585100475 559024012 /nfs/dbraw/zinc/02/40/12/559024012.db2.gz LDQQSHNZXIKRHI-RUZDIDTESA-N 1 1 420.532 4.329 40 0 HIABMO Cc1cc(C)cc(C(=O)N2CCC[C@@]3(C2)C[N@@H+](C)Cc2c(-c4ccccc4)ncn23)c1 ZINC000585107562 559028085 /nfs/dbraw/zinc/02/80/85/559028085.db2.gz ZUEDYBATCIIGEP-SANMLTNESA-N 1 1 414.553 4.244 40 0 HIABMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C(=O)C1)[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951397 559089361 /nfs/dbraw/zinc/08/93/61/559089361.db2.gz LGIPDQNXWCIKGX-AOHZBQACSA-N 1 1 420.553 4.481 40 0 HIABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216425 559169605 /nfs/dbraw/zinc/16/96/05/559169605.db2.gz GMERJXONBTURRL-FQEVSTJZSA-N 1 1 402.583 4.322 40 0 HIABMO C[N@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCc4cccc(F)c4)CCOCC3)c2)C1 ZINC000072372244 559186335 /nfs/dbraw/zinc/18/63/35/559186335.db2.gz BCVWODJOYBECBP-HSZRJFAPSA-N 1 1 424.560 4.291 40 0 HIABMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002292106 560559506 /nfs/dbraw/zinc/55/95/06/560559506.db2.gz KAXRRCKEVIGITN-FYSMJZIKSA-N 1 1 411.546 4.492 40 0 HIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)C1 ZINC000219242379 568488435 /nfs/dbraw/zinc/48/84/35/568488435.db2.gz OQBGUECYAOREBG-INIZCTEOSA-N 1 1 410.543 4.302 40 0 HIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCN3CCCc4ccccc43)cc2)C1 ZINC000219243040 568488530 /nfs/dbraw/zinc/48/85/30/568488530.db2.gz XAACEJAIAGJYBI-OAQYLSRUSA-N 1 1 405.586 4.491 40 0 HIABMO COc1ccc(-c2nsc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057681242 568493899 /nfs/dbraw/zinc/49/38/99/568493899.db2.gz MQGKPOLYZSWOSU-UHFFFAOYSA-N 1 1 417.538 4.084 40 0 HIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cc2ccc(C)cc2nc1OC ZINC000022931850 568500851 /nfs/dbraw/zinc/50/08/51/568500851.db2.gz BMZOAGUNRSIFJS-QHCPKHFHSA-N 1 1 404.558 4.433 40 0 HIABMO COc1cccc(OC)c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023379475 568509717 /nfs/dbraw/zinc/50/97/17/568509717.db2.gz DXTNHDFGKWRMGJ-UHFFFAOYSA-N 1 1 416.521 4.251 40 0 HIABMO Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222600883 568520115 /nfs/dbraw/zinc/52/01/15/568520115.db2.gz UFBWFOFJLRQXFK-FQEVSTJZSA-N 1 1 422.504 4.055 40 0 HIABMO CC(C)CSc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1 ZINC000223447567 568549190 /nfs/dbraw/zinc/54/91/90/568549190.db2.gz RORIIYQYAFWKPV-HNNXBMFYSA-N 1 1 408.568 4.276 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CSc1ccc(Cl)cc1 ZINC000224677609 568591975 /nfs/dbraw/zinc/59/19/75/568591975.db2.gz ZILIHEJPIHDRBM-UHFFFAOYSA-N 1 1 404.963 4.419 40 0 HIABMO C[C@H](COc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589321 568655314 /nfs/dbraw/zinc/65/53/14/568655314.db2.gz FNHCAJDBTZGHKI-MRXNPFEDSA-N 1 1 404.913 4.275 40 0 HIABMO Cc1cc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)ccc1Br ZINC000225742913 568670465 /nfs/dbraw/zinc/67/04/65/568670465.db2.gz VRQFPJBITNGDLH-UHFFFAOYSA-N 1 1 418.404 4.492 40 0 HIABMO O=C(NCCNc1ccnc2cc(Cl)ccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225902153 568684825 /nfs/dbraw/zinc/68/48/25/568684825.db2.gz MHFXNEGLOUUYSD-LJQANCHMSA-N 1 1 422.960 4.329 40 0 HIABMO COc1ccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)cn1 ZINC000257221780 568782470 /nfs/dbraw/zinc/78/24/70/568782470.db2.gz DQLZIEMBULYUJG-FMLGWJCWSA-N 1 1 419.569 4.179 40 0 HIABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC(c2cccc(Nc3ncccc3C)n2)CC1 ZINC000257271060 568795977 /nfs/dbraw/zinc/79/59/77/568795977.db2.gz MWPQKRCJYYEMLL-SFHVURJKSA-N 1 1 418.545 4.076 40 0 HIABMO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)on1 ZINC000257274943 568797016 /nfs/dbraw/zinc/79/70/16/568797016.db2.gz NNHNXGLBVHWBNS-MAAHOPOVSA-N 1 1 407.558 4.497 40 0 HIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5nccs5)C4)nn3c2)c1 ZINC000306127754 568890836 /nfs/dbraw/zinc/89/08/36/568890836.db2.gz GGIUMVSEHQHGRN-GOSISDBHSA-N 1 1 405.527 4.241 40 0 HIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5nccs5)C4)nn3c2)c1 ZINC000306127754 568890838 /nfs/dbraw/zinc/89/08/38/568890838.db2.gz GGIUMVSEHQHGRN-GOSISDBHSA-N 1 1 405.527 4.241 40 0 HIABMO CN1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306143594 568904977 /nfs/dbraw/zinc/90/49/77/568904977.db2.gz YGNHHOATXNKZJX-HSZRJFAPSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306143594 568904978 /nfs/dbraw/zinc/90/49/78/568904978.db2.gz YGNHHOATXNKZJX-HSZRJFAPSA-N 1 1 401.489 4.024 40 0 HIABMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000024302481 569047677 /nfs/dbraw/zinc/04/76/77/569047677.db2.gz SUHSUMBWBZPRJC-HSZRJFAPSA-N 1 1 424.585 4.305 40 0 HIABMO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3ccc(-c4ccc(N)nc4)cn3)C2)c(C)c1C ZINC000019693503 569346404 /nfs/dbraw/zinc/34/64/04/569346404.db2.gz GNBRRVSKLQLGPT-DEOSSOPVSA-N 1 1 418.541 4.233 40 0 HIABMO COc1cc(C)c(C[N@H+]2CCO[C@H](c3ccc(-c4ccc(N)nc4)cn3)C2)c(C)c1C ZINC000019693503 569346405 /nfs/dbraw/zinc/34/64/05/569346405.db2.gz GNBRRVSKLQLGPT-DEOSSOPVSA-N 1 1 418.541 4.233 40 0 HIABMO COc1ccc(OCCc2sc([C@@]3(O)CCC[N@@H+](CC4CC4)CC3)nc2C)cc1 ZINC000019738677 569348583 /nfs/dbraw/zinc/34/85/83/569348583.db2.gz JCZXOHUKIGSKCC-HSZRJFAPSA-N 1 1 416.587 4.165 40 0 HIABMO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000035425885 291265929 /nfs/dbraw/zinc/26/59/29/291265929.db2.gz SFKCFRGLOVIRNB-INIZCTEOSA-N 1 1 404.392 4.496 40 0 biogenic,in-vitro HIABMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000035425885 291265931 /nfs/dbraw/zinc/26/59/31/291265931.db2.gz SFKCFRGLOVIRNB-INIZCTEOSA-N 1 1 404.392 4.496 40 0 biogenic,in-vitro HIABMO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC[C@H]1COC(=O)N21 ZINC000225491806 291266826 /nfs/dbraw/zinc/26/68/26/291266826.db2.gz JTJLVALDWJTHKI-INIZCTEOSA-N 1 1 422.403 4.325 40 0 biogenic,in-vitro HIABMO CCOc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)cc1 ZINC000012089669 132353937 /nfs/dbraw/zinc/35/39/37/132353937.db2.gz HXSGCLGCONLJAY-RUZDIDTESA-N 1 1 421.516 4.023 40 0 HIABMO CCC(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291569 132358006 /nfs/dbraw/zinc/35/80/06/132358006.db2.gz YDNVURKSBJDNJA-XMMPIXPASA-N 1 1 408.517 4.338 40 0 HIABMO Fc1ccc(-n2cc(C[N@@H+](CCCn3ccnc3)Cc3cccc(F)c3)cn2)cc1 ZINC000043277722 526319476 /nfs/dbraw/zinc/31/94/76/526319476.db2.gz GPDMNNGSHALNPR-UHFFFAOYSA-N 1 1 407.468 4.440 40 0 HIABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000036719520 527011880 /nfs/dbraw/zinc/01/18/80/527011880.db2.gz DBAKZBZRXBMCFF-PXNSSMCTSA-N 1 1 410.518 4.061 40 0 HIABMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002378071 557342138 /nfs/dbraw/zinc/34/21/38/557342138.db2.gz KZMDEOGGKBLHDW-IQMFZBJNSA-N 1 1 415.509 4.323 40 0 HIABMO O=C([C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000002735040 557373867 /nfs/dbraw/zinc/37/38/67/557373867.db2.gz LRPAONHLJBPZIP-QHCPKHFHSA-N 1 1 420.553 4.109 40 0 HIABMO CCCn1ncc2ccc([C@@H]3CCC[N@@H+](Cc4ccc(-n5cccn5)cc4)C3)nc21 ZINC000019742485 558262695 /nfs/dbraw/zinc/26/26/95/558262695.db2.gz ZCPPQGMTPNVNIE-OAQYLSRUSA-N 1 1 400.530 4.407 40 0 HIABMO Nc1ncnc2nc([C@H]3CCC[N@@H+](CCCc4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000019743261 558263813 /nfs/dbraw/zinc/26/38/13/558263813.db2.gz WNQTVFCSSCSBNS-INIZCTEOSA-N 1 1 415.463 4.438 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019753114 558272204 /nfs/dbraw/zinc/27/22/04/558272204.db2.gz BNPHORCMKFPLJF-JOCHJYFZSA-N 1 1 406.574 4.475 40 0 HIABMO CC(C)NC(=O)c1cc([C@@H]2CC[N@@H+](Cc3cnc(C(C)C)nc3)C2)nc2ccccc21 ZINC000019761893 558276894 /nfs/dbraw/zinc/27/68/94/558276894.db2.gz MNJZWIBCTQCWHZ-LJQANCHMSA-N 1 1 417.557 4.276 40 0 HIABMO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030942552 558745678 /nfs/dbraw/zinc/74/56/78/558745678.db2.gz RELGROFZNYGTOS-GOSISDBHSA-N 1 1 411.521 4.205 40 0 HIABMO Cc1cccc(CSCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038851626 558818909 /nfs/dbraw/zinc/81/89/09/558818909.db2.gz MEPTWRAQGATCJF-NRFANRHFSA-N 1 1 400.563 4.396 40 0 HIABMO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038852220 558819048 /nfs/dbraw/zinc/81/90/48/558819048.db2.gz YZUSNRPPVVELCB-UHFFFAOYSA-N 1 1 413.425 4.309 40 0 HIABMO COc1cc(C)ccc1C[N@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019133997 558845968 /nfs/dbraw/zinc/84/59/68/558845968.db2.gz SLWNWAFYIJVZJF-FQEVSTJZSA-N 1 1 417.557 4.301 40 0 HIABMO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000019293409 558865178 /nfs/dbraw/zinc/86/51/78/558865178.db2.gz QXSVQCDDYQXVHJ-SFHVURJKSA-N 1 1 410.905 4.033 40 0 HIABMO O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019343543 558872509 /nfs/dbraw/zinc/87/25/09/558872509.db2.gz VFCNBDDHJIKDHC-DNVJHFABSA-N 1 1 421.541 4.413 40 0 HIABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000019400719 558883337 /nfs/dbraw/zinc/88/33/37/558883337.db2.gz ABPCOEQLDUNCQV-FDDCHVKYSA-N 1 1 422.479 4.138 40 0 HIABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000019400719 558883338 /nfs/dbraw/zinc/88/33/38/558883338.db2.gz ABPCOEQLDUNCQV-FDDCHVKYSA-N 1 1 422.479 4.138 40 0 HIABMO CC(C)CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000019446698 558886519 /nfs/dbraw/zinc/88/65/19/558886519.db2.gz FIWHNHFKRMTVBM-HSZRJFAPSA-N 1 1 401.501 4.475 40 0 HIABMO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccs2)C1 ZINC000019529177 558910777 /nfs/dbraw/zinc/91/07/77/558910777.db2.gz NBGLVYHADAYOHG-DEOSSOPVSA-N 1 1 405.567 4.381 40 0 HIABMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019533855 558913292 /nfs/dbraw/zinc/91/32/92/558913292.db2.gz WSEPJZISWFUDEK-FQEVSTJZSA-N 1 1 420.513 4.379 40 0 HIABMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019533855 558913294 /nfs/dbraw/zinc/91/32/94/558913294.db2.gz WSEPJZISWFUDEK-FQEVSTJZSA-N 1 1 420.513 4.379 40 0 HIABMO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)cc1 ZINC000019555475 558918255 /nfs/dbraw/zinc/91/82/55/558918255.db2.gz SCQHGJZTISFDLD-VABKMULXSA-N 1 1 410.583 4.373 40 0 HIABMO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000019557767 558919619 /nfs/dbraw/zinc/91/96/19/558919619.db2.gz MTCAFCIIESNPLC-UBFVSLLYSA-N 1 1 419.569 4.097 40 0 HIABMO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4cccnc4)C[C@@H]32)c1 ZINC000019566371 558926145 /nfs/dbraw/zinc/92/61/45/558926145.db2.gz AXCHHMTYFGNIQM-UBFVSLLYSA-N 1 1 419.569 4.097 40 0 HIABMO O=C(c1ccccn1)N1C[C@@H]2CCCC[N@H+](Cc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000072330649 558935144 /nfs/dbraw/zinc/93/51/44/558935144.db2.gz HFCFUODOKCOKJU-FXAWDEMLSA-N 1 1 403.448 4.227 40 0 HIABMO CN1CC[N@@H+](Cc2c[nH]c3ccccc23)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589542 558940331 /nfs/dbraw/zinc/94/03/31/558940331.db2.gz TVHCCPDAIDOGNE-QHCPKHFHSA-N 1 1 424.548 4.363 40 0 HIABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019591284 558941666 /nfs/dbraw/zinc/94/16/66/558941666.db2.gz GQAJVDJIZNZPIR-AREMUKBSSA-N 1 1 417.528 4.459 40 0 HIABMO COCc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019594346 558945427 /nfs/dbraw/zinc/94/54/27/558945427.db2.gz RRWMPVHZJKCRCE-OAQYLSRUSA-N 1 1 420.513 4.126 40 0 HIABMO COCc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019594346 558945428 /nfs/dbraw/zinc/94/54/28/558945428.db2.gz RRWMPVHZJKCRCE-OAQYLSRUSA-N 1 1 420.513 4.126 40 0 HIABMO COc1cccc(CC[N@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000072351295 558947638 /nfs/dbraw/zinc/94/76/38/558947638.db2.gz WMHJNFNJQGRZOZ-IBGZPJMESA-N 1 1 411.546 4.168 40 0 HIABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2cc(Cc3ccc(OC)cc3)cc(C)n2)C1 ZINC000072353811 558950874 /nfs/dbraw/zinc/95/08/74/558950874.db2.gz KLJBKKSKHMZRAA-JOCHJYFZSA-N 1 1 409.574 4.037 40 0 HIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H](c2cncc(Nc3ncccc3C)n2)C1 ZINC000072354368 558951631 /nfs/dbraw/zinc/95/16/31/558951631.db2.gz MDZSFPFZOHDQIM-GOSISDBHSA-N 1 1 419.529 4.320 40 0 HIABMO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)NC1CCCCC1 ZINC000072358589 558954153 /nfs/dbraw/zinc/95/41/53/558954153.db2.gz MWVJRKVBWJVLFW-GOSISDBHSA-N 1 1 412.965 4.425 40 0 HIABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)NC1CCCCC1 ZINC000072358589 558954156 /nfs/dbraw/zinc/95/41/56/558954156.db2.gz MWVJRKVBWJVLFW-GOSISDBHSA-N 1 1 412.965 4.425 40 0 HIABMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1OCc1c(C)noc1C ZINC000019664449 558954791 /nfs/dbraw/zinc/95/47/91/558954791.db2.gz MIGNANVOJQHZIY-HSZRJFAPSA-N 1 1 421.541 4.368 40 0 HIABMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359739 558955360 /nfs/dbraw/zinc/95/53/60/558955360.db2.gz KLINHUYIUBBQSM-INIZCTEOSA-N 1 1 401.436 4.276 40 0 HIABMO Cn1ccnc1C[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359739 558955361 /nfs/dbraw/zinc/95/53/61/558955361.db2.gz KLINHUYIUBBQSM-INIZCTEOSA-N 1 1 401.436 4.276 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072359734 558955424 /nfs/dbraw/zinc/95/54/24/558955424.db2.gz NPEMVKWBZARPCD-QGZVFWFLSA-N 1 1 401.436 4.276 40 0 HIABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 ZINC000019690477 558960100 /nfs/dbraw/zinc/96/01/00/558960100.db2.gz YQLLNJDPMONCCO-SFHVURJKSA-N 1 1 420.532 4.359 40 0 HIABMO CCc1ncc(C[NH+]2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cn1 ZINC000019703361 558967442 /nfs/dbraw/zinc/96/74/42/558967442.db2.gz XRCIYVZAERODGL-QHCPKHFHSA-N 1 1 406.574 4.080 40 0 HIABMO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1cccnc1 ZINC000072380064 558967992 /nfs/dbraw/zinc/96/79/92/558967992.db2.gz HBRSZYSANCMWMA-LJQANCHMSA-N 1 1 423.582 4.006 40 0 HIABMO Cc1noc(C)c1C[N@@H+]1CC[C@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2 ZINC000585102088 559025262 /nfs/dbraw/zinc/02/52/62/559025262.db2.gz QSFNDOWYDNADDY-VWLOTQADSA-N 1 1 419.525 4.091 40 0 HIABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2 ZINC000585102088 559025264 /nfs/dbraw/zinc/02/52/64/559025264.db2.gz QSFNDOWYDNADDY-VWLOTQADSA-N 1 1 419.525 4.091 40 0 HIABMO O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071299 559094374 /nfs/dbraw/zinc/09/43/74/559094374.db2.gz OBQXJZKVUBUZDM-NRFANRHFSA-N 1 1 404.963 4.159 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585269990 559116121 /nfs/dbraw/zinc/11/61/21/559116121.db2.gz ACTNKNPGHIBDJX-QFIPXVFZSA-N 1 1 402.922 4.013 40 0 HIABMO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216451 559169529 /nfs/dbraw/zinc/16/95/29/559169529.db2.gz ZDKVISBVOQSMBQ-QFIPXVFZSA-N 1 1 422.573 4.476 40 0 HIABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000072348795 559185429 /nfs/dbraw/zinc/18/54/29/559185429.db2.gz IXAYALDXOLNQFJ-OAQYLSRUSA-N 1 1 415.537 4.499 40 0 HIABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000072348795 559185432 /nfs/dbraw/zinc/18/54/32/559185432.db2.gz IXAYALDXOLNQFJ-OAQYLSRUSA-N 1 1 415.537 4.499 40 0 HIABMO COC(=O)c1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc1 ZINC000072360800 559185873 /nfs/dbraw/zinc/18/58/73/559185873.db2.gz PEJAJCVSHXNNGR-QFIPXVFZSA-N 1 1 419.525 4.260 40 0 HIABMO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000072358900 559186059 /nfs/dbraw/zinc/18/60/59/559186059.db2.gz GRHPAZDGEFISDK-JOCHJYFZSA-N 1 1 400.526 4.055 40 0 HIABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccccc2)CC[C@@]1(C)O ZINC000514289889 560031396 /nfs/dbraw/zinc/03/13/96/560031396.db2.gz LQKGFKYNYOTNSF-QNWVGRARSA-N 1 1 400.588 4.367 40 0 biogenic,in-vitro HIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231192 560602980 /nfs/dbraw/zinc/60/29/80/560602980.db2.gz XXKUZWDSEWTEOD-JOCHJYFZSA-N 1 1 418.541 4.355 40 0 HIABMO c1ccc(CCn2nnnc2[C@H](c2ccc3ncccc3c2)[NH+]2CCCCCC2)cc1 ZINC000004851506 560611467 /nfs/dbraw/zinc/61/14/67/560611467.db2.gz CDRAYXQZIPVSTR-DEOSSOPVSA-N 1 1 412.541 4.429 40 0 HIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005444993 560737702 /nfs/dbraw/zinc/73/77/02/560737702.db2.gz ZQUGWXFXTRMFPU-IIBYNOLFSA-N 1 1 422.577 4.043 40 0 HIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005444993 560737703 /nfs/dbraw/zinc/73/77/03/560737703.db2.gz ZQUGWXFXTRMFPU-IIBYNOLFSA-N 1 1 422.577 4.043 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012711277 560786316 /nfs/dbraw/zinc/78/63/16/560786316.db2.gz PKMBOXDYUVSEEH-QVKFZJNVSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012711277 560786317 /nfs/dbraw/zinc/78/63/17/560786317.db2.gz PKMBOXDYUVSEEH-QVKFZJNVSA-N 1 1 422.577 4.098 40 0 HIABMO COc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)cc1CN1CCOCC1 ZINC000013569731 560814360 /nfs/dbraw/zinc/81/43/60/560814360.db2.gz JSQWLGMXCZCEBW-UHFFFAOYSA-N 1 1 423.582 4.186 40 0 HIABMO COc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)cc1CN1CCOCC1 ZINC000013569731 560814361 /nfs/dbraw/zinc/81/43/61/560814361.db2.gz JSQWLGMXCZCEBW-UHFFFAOYSA-N 1 1 423.582 4.186 40 0 HIABMO Cc1c(C)n(C[C@@H](O)C[N@@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2O)c2ccccc12 ZINC000005612618 568453019 /nfs/dbraw/zinc/45/30/19/568453019.db2.gz MEUDZLHQBCXDFC-DFCKQENNSA-N 1 1 406.570 4.425 40 0 HIABMO O=C(NCCOc1ccc2ccccc2c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223637791 568554353 /nfs/dbraw/zinc/55/43/53/568554353.db2.gz VQMHFLQYPDCYHY-JOCHJYFZSA-N 1 1 406.501 4.386 40 0 HIABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)CC1 ZINC000224174937 568572534 /nfs/dbraw/zinc/57/25/34/568572534.db2.gz AIIZNDCEOGMMSI-UHFFFAOYSA-N 1 1 410.558 4.349 40 0 HIABMO O=C(NCCOc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540265 568584136 /nfs/dbraw/zinc/58/41/36/568584136.db2.gz LMTQKVQKXHKFPW-UHFFFAOYSA-N 1 1 407.341 4.401 40 0 HIABMO COc1ccc(CNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1OC ZINC000224549787 568584698 /nfs/dbraw/zinc/58/46/98/568584698.db2.gz DCHJMOKOQKJERK-UHFFFAOYSA-N 1 1 420.912 4.025 40 0 HIABMO CCn1c(=O)sc2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000225120034 568615572 /nfs/dbraw/zinc/61/55/72/568615572.db2.gz LPZDUSFRLYBMNV-MRXNPFEDSA-N 1 1 413.518 4.073 40 0 HIABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000225458624 568640004 /nfs/dbraw/zinc/64/00/04/568640004.db2.gz MQHVOHSSKXNURM-UHFFFAOYSA-N 1 1 419.554 4.103 40 0 HIABMO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578937 568653590 /nfs/dbraw/zinc/65/35/90/568653590.db2.gz RICMWFPWHBBMKD-UHFFFAOYSA-N 1 1 404.869 4.101 40 0 HIABMO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225584641 568654639 /nfs/dbraw/zinc/65/46/39/568654639.db2.gz IBVOMFYDZVGUEQ-UHFFFAOYSA-N 1 1 403.885 4.288 40 0 HIABMO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)s1 ZINC000225590701 568655286 /nfs/dbraw/zinc/65/52/86/568655286.db2.gz NSJPBUYDCMNGID-UHFFFAOYSA-N 1 1 414.959 4.293 40 0 HIABMO CCOC(=O)c1cc(NC(=S)NCCC[N@H+]2CCCC[C@H]2CC)ccc1Cl ZINC000260742734 568737397 /nfs/dbraw/zinc/73/73/97/568737397.db2.gz YOGVCRAMJSOSEI-MRXNPFEDSA-N 1 1 411.999 4.458 40 0 HIABMO Cc1nc2cc([C@H]3CCC[N@H+]3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257212911 568779814 /nfs/dbraw/zinc/77/98/14/568779814.db2.gz CFKQTAORIQGJBB-HSZRJFAPSA-N 1 1 423.605 4.371 40 0 HIABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccc(Cc3cccc(F)c3)nc1)C2 ZINC000257232577 568785505 /nfs/dbraw/zinc/78/55/05/568785505.db2.gz GLMJGGGNIWHWHH-UCKMRUJXSA-N 1 1 407.533 4.289 40 0 HIABMO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)ccc2c1N ZINC000257265585 568794216 /nfs/dbraw/zinc/79/42/16/568794216.db2.gz LZHHXUUBJRVDSE-GOSISDBHSA-N 1 1 412.534 4.447 40 0 HIABMO COc1ccccc1Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)ccn1 ZINC000257296626 568803290 /nfs/dbraw/zinc/80/32/90/568803290.db2.gz RDPUNCURRPARGR-ZCYQVOJMSA-N 1 1 407.558 4.160 40 0 HIABMO C[NH+](C)CCn1ncc2c1-c1ccccc1OC21CCN(Cc2ccsc2)CC1 ZINC000306132482 568894618 /nfs/dbraw/zinc/89/46/18/568894618.db2.gz LKPMSCDUXWQTSD-UHFFFAOYSA-N 1 1 408.571 4.057 40 0 HIABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)nn2c1 ZINC000306134619 568896446 /nfs/dbraw/zinc/89/64/46/568896446.db2.gz NTROLERIIWCZLO-IBGZPJMESA-N 1 1 417.488 4.319 40 0 HIABMO CCc1ccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306137425 568899388 /nfs/dbraw/zinc/89/93/88/568899388.db2.gz QVZMBQOTZORGJX-BVAGGSTKSA-N 1 1 420.601 4.255 40 0 HIABMO O=C(CCn1ccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198651 569058970 /nfs/dbraw/zinc/05/89/70/569058970.db2.gz FJWSWFYQJWQWGW-UBRJVWORSA-N 1 1 403.570 4.453 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000012408191 569344850 /nfs/dbraw/zinc/34/48/50/569344850.db2.gz UQPOIYUGEBOZJL-TZIWHRDSSA-N 1 1 413.587 4.411 40 0 HIABMO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3ccc(-c4ccc(N)nc4)cn3)C2)c(C)c1C ZINC000019693502 569346380 /nfs/dbraw/zinc/34/63/80/569346380.db2.gz GNBRRVSKLQLGPT-XMMPIXPASA-N 1 1 418.541 4.233 40 0 HIABMO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3ccc(-c4ccc(N)nc4)cn3)C2)c(C)c1C ZINC000019693502 569346381 /nfs/dbraw/zinc/34/63/81/569346381.db2.gz GNBRRVSKLQLGPT-XMMPIXPASA-N 1 1 418.541 4.233 40 0 HIABMO Cc1nc(CC(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)cs1 ZINC000019713481 569348372 /nfs/dbraw/zinc/34/83/72/569348372.db2.gz JYMOHFRKEZZKMV-GPXNEJASSA-N 1 1 411.615 4.471 40 0 HIABMO CCOc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)cc1CO ZINC000019713179 569348439 /nfs/dbraw/zinc/34/84/39/569348439.db2.gz DWTUEZSJLOFUEX-RPWUZVMVSA-N 1 1 422.569 4.123 40 0 HIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](COc2ccccc2C)C1 ZINC000019237372 571314496 /nfs/dbraw/zinc/31/44/96/571314496.db2.gz YJTJDKJNXMXYCE-OAQYLSRUSA-N 1 1 403.526 4.479 40 0 HIABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCC4)n3)cn2)cc1 ZINC000049155284 291266010 /nfs/dbraw/zinc/26/60/10/291266010.db2.gz QCEMTOQRLNFJMA-IBGZPJMESA-N 1 1 419.485 4.082 40 0 biogenic,in-vitro HIABMO Fc1ccc(-c2cc(CC3([NH2+]Cc4ccc(OC(F)(F)F)cc4)COC3)no2)cc1 ZINC000067897858 291269057 /nfs/dbraw/zinc/26/90/57/291269057.db2.gz JZFRBEXDWPLGRK-UHFFFAOYSA-N 1 1 422.378 4.481 40 0 biogenic,in-vitro HIABMO CC(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)ccc21 ZINC000012291279 132357984 /nfs/dbraw/zinc/35/79/84/132357984.db2.gz YRIMDMHDNXVETN-XMMPIXPASA-N 1 1 410.945 4.462 40 0 HIABMO CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044786711 519742158 /nfs/dbraw/zinc/74/21/58/519742158.db2.gz FLTADQBQRBWLMN-IBGZPJMESA-N 1 1 411.521 4.062 40 0 HIABMO C[NH+]1CCN(C(=O)Cc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)CC1 ZINC000041127172 523875779 /nfs/dbraw/zinc/87/57/79/523875779.db2.gz WLFFYPBPVCXHCQ-UHFFFAOYSA-N 1 1 404.297 4.118 40 0 HIABMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2Cl)CC1)Nc1cccc2ccccc21 ZINC000004909204 557612086 /nfs/dbraw/zinc/61/20/86/557612086.db2.gz BZGQXIBCXXPXHV-UHFFFAOYSA-N 1 1 421.928 4.326 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCc2nc(-c3cccc(C(F)(F)F)c3)sc2C1 ZINC000019719905 558258407 /nfs/dbraw/zinc/25/84/07/558258407.db2.gz NLAIOWRZIZVHPZ-UHFFFAOYSA-N 1 1 420.460 4.173 40 0 HIABMO C[C@@H](O)C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)Cc1ccc2c(c1)OCO2 ZINC000012118147 558329589 /nfs/dbraw/zinc/32/95/89/558329589.db2.gz FJIJVYRYWBKNMS-GOSISDBHSA-N 1 1 415.493 4.137 40 0 HIABMO COc1ccc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000012128649 558331917 /nfs/dbraw/zinc/33/19/17/558331917.db2.gz ARNYBYXPEJGJDW-ZWKOTPCHSA-N 1 1 402.420 4.215 40 0 HIABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000012330116 558385085 /nfs/dbraw/zinc/38/50/85/558385085.db2.gz UQIAXZRLZAPTQX-PDGUBNMISA-N 1 1 402.498 4.146 40 0 HIABMO COC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000013670092 558561617 /nfs/dbraw/zinc/56/16/17/558561617.db2.gz XJRTULFNJCRSMV-UHFFFAOYSA-N 1 1 400.478 4.284 40 0 HIABMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000029903689 558723807 /nfs/dbraw/zinc/72/38/07/558723807.db2.gz OIALMCUVIGUZTC-UHFFFAOYSA-N 1 1 403.320 4.308 40 0 HIABMO O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019014818 558837034 /nfs/dbraw/zinc/83/70/34/558837034.db2.gz RJAQBXNKDSSRSC-UGKGYDQZSA-N 1 1 424.589 4.140 40 0 HIABMO COc1ccc(OC)c(C[N@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000019117077 558842238 /nfs/dbraw/zinc/84/22/38/558842238.db2.gz XNDRUKDSFQQENG-CQSZACIVSA-N 1 1 420.435 4.063 40 0 HIABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc3ccccc3nc2N(C)C)o1 ZINC000019216471 558850497 /nfs/dbraw/zinc/85/04/97/558850497.db2.gz NLBVQUWDRHYAQK-UHFFFAOYSA-N 1 1 403.530 4.491 40 0 HIABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc3ccccc3nc2N(C)C)o1 ZINC000019216471 558850499 /nfs/dbraw/zinc/85/04/99/558850499.db2.gz NLBVQUWDRHYAQK-UHFFFAOYSA-N 1 1 403.530 4.491 40 0 HIABMO O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000019375842 558882059 /nfs/dbraw/zinc/88/20/59/558882059.db2.gz UCZYYOWHRPKUKX-CQSZACIVSA-N 1 1 403.313 4.008 40 0 HIABMO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccn1 ZINC000019400812 558883312 /nfs/dbraw/zinc/88/33/12/558883312.db2.gz GRVUTTRFJMSDJH-HSZRJFAPSA-N 1 1 422.479 4.138 40 0 HIABMO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019446652 558886304 /nfs/dbraw/zinc/88/63/04/558886304.db2.gz LITUWZJQYZIBIR-FDDCHVKYSA-N 1 1 401.501 4.475 40 0 HIABMO C[C@@H](C[N@H+]1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000019456099 558891898 /nfs/dbraw/zinc/89/18/98/558891898.db2.gz QLOGWAKAXKQCTO-FNZWTVRRSA-N 1 1 414.553 4.057 40 0 HIABMO C[C@H](C[N@H+]1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000019456101 558891920 /nfs/dbraw/zinc/89/19/20/558891920.db2.gz QLOGWAKAXKQCTO-IBVKSMDESA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O ZINC000019503330 558900643 /nfs/dbraw/zinc/90/06/43/558900643.db2.gz JOVQKEHNIXRXKC-JOCHJYFZSA-N 1 1 424.610 4.475 40 0 HIABMO Cc1nc2ccc(C)cn2c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000071468789 558901342 /nfs/dbraw/zinc/90/13/42/558901342.db2.gz IFLPJRMFEYIWOE-UHFFFAOYSA-N 1 1 424.548 4.499 40 0 HIABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2Cc2ccccc2)cc1 ZINC000019554875 558917717 /nfs/dbraw/zinc/91/77/17/558917717.db2.gz BAZMAGBXLMYHRL-XZQOPNAISA-N 1 1 417.553 4.060 40 0 HIABMO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]32)c1 ZINC000019566365 558926087 /nfs/dbraw/zinc/92/60/87/558926087.db2.gz BKBWMLQAHOTGPJ-UBFVSLLYSA-N 1 1 419.569 4.097 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019579610 558935288 /nfs/dbraw/zinc/93/52/88/558935288.db2.gz MXEXEVOHEAQXJD-SANMLTNESA-N 1 1 414.553 4.057 40 0 HIABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072344785 558941109 /nfs/dbraw/zinc/94/11/09/558941109.db2.gz ISVOKWBJQRYLAA-HXUWFJFHSA-N 1 1 406.505 4.201 40 0 HIABMO Cc1nc([C@H]2CCC[N@H+](C3CCCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345546 558942108 /nfs/dbraw/zinc/94/21/08/558942108.db2.gz ZGXLGYYDPFNNMR-IBGZPJMESA-N 1 1 410.537 4.366 40 0 HIABMO COc1ccc2c(C[N@H+]3CCC[C@H](c4ccc(-c5cncnc5)cn4)C3)cn(C)c2c1 ZINC000019689297 558958579 /nfs/dbraw/zinc/95/85/79/558958579.db2.gz VTGUFKMWMCWINR-IBGZPJMESA-N 1 1 413.525 4.419 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)s1 ZINC000072371798 558959151 /nfs/dbraw/zinc/95/91/51/558959151.db2.gz QRJAFZDJFVLVMY-OAHLLOKOSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)s1 ZINC000072371798 558959152 /nfs/dbraw/zinc/95/91/52/558959152.db2.gz QRJAFZDJFVLVMY-OAHLLOKOSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)s1 ZINC000072371798 558959153 /nfs/dbraw/zinc/95/91/53/558959153.db2.gz QRJAFZDJFVLVMY-OAHLLOKOSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1c(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cnn1C ZINC000019694321 558962691 /nfs/dbraw/zinc/96/26/91/558962691.db2.gz MIUOITCAQYNRTG-NRFANRHFSA-N 1 1 408.525 4.118 40 0 HIABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCOCC2)nc2c1CCCN2Cc1ccccc1 ZINC000019706231 558968653 /nfs/dbraw/zinc/96/86/53/558968653.db2.gz HEHRTPHWIUGLPP-HSZRJFAPSA-N 1 1 406.574 4.444 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072394015 558973300 /nfs/dbraw/zinc/97/33/00/558973300.db2.gz FAEFAUPPCLTYFE-XMMPIXPASA-N 1 1 423.488 4.264 40 0 HIABMO COc1ccc(C[N@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000072397153 558975719 /nfs/dbraw/zinc/97/57/19/558975719.db2.gz BPKBNWYPTICRNJ-OAHLLOKOSA-N 1 1 420.435 4.063 40 0 HIABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(F)cc1F)CC2 ZINC000585099841 559024552 /nfs/dbraw/zinc/02/45/52/559024552.db2.gz GZTZYLXJSVOXDJ-JOCHJYFZSA-N 1 1 403.473 4.117 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)CCc2ccc(Cl)cc2)C3)s1 ZINC000585102224 559024763 /nfs/dbraw/zinc/02/47/63/559024763.db2.gz UOEVHGDVDCSRMY-OAQYLSRUSA-N 1 1 403.979 4.305 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)CCc2ccc(Cl)cc2)C3)s1 ZINC000585102224 559024766 /nfs/dbraw/zinc/02/47/66/559024766.db2.gz UOEVHGDVDCSRMY-OAQYLSRUSA-N 1 1 403.979 4.305 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)CCOc2ccccc2Cl)C3)s1 ZINC000585102090 559025192 /nfs/dbraw/zinc/02/51/92/559025192.db2.gz QUYALQCMFKZFES-OAQYLSRUSA-N 1 1 419.978 4.141 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)CCOc2ccccc2Cl)C3)s1 ZINC000585102090 559025194 /nfs/dbraw/zinc/02/51/94/559025194.db2.gz QUYALQCMFKZFES-OAQYLSRUSA-N 1 1 419.978 4.141 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)COc2ccc4ccccc4c2)C3)s1 ZINC000585102128 559025212 /nfs/dbraw/zinc/02/52/12/559025212.db2.gz SORUQGJSKMVLLB-XMMPIXPASA-N 1 1 421.566 4.251 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)COc2ccc4ccccc4c2)C3)s1 ZINC000585102128 559025214 /nfs/dbraw/zinc/02/52/14/559025214.db2.gz SORUQGJSKMVLLB-XMMPIXPASA-N 1 1 421.566 4.251 40 0 HIABMO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@@H+](Cc2ccc4c(c2)CCC4)CC3)cs1 ZINC000585100795 559025502 /nfs/dbraw/zinc/02/55/02/559025502.db2.gz WTRQGGMHTGOWKS-XMMPIXPASA-N 1 1 409.599 4.488 40 0 HIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000585106994 559029379 /nfs/dbraw/zinc/02/93/79/559029379.db2.gz NKYWLIXGHVOAKY-XMMPIXPASA-N 1 1 420.582 4.467 40 0 HIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3ccccc3)C2)C1 ZINC000585107037 559029391 /nfs/dbraw/zinc/02/93/91/559029391.db2.gz OUUROHBSPCIMAW-AREMUKBSSA-N 1 1 414.553 4.406 40 0 HIABMO O=C(C[NH+]1CCC(c2cccc(Nc3nccs3)n2)CC1)Nc1ccc(F)cc1 ZINC000585262638 559111277 /nfs/dbraw/zinc/11/12/77/559111277.db2.gz LYTPBUSRSBIMQS-UHFFFAOYSA-N 1 1 411.506 4.239 40 0 HIABMO CCc1ncc(C[NH+]2CCC(c3nc(C)cc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585263495 559111897 /nfs/dbraw/zinc/11/18/97/559111897.db2.gz NELINXKRFZCNOP-UHFFFAOYSA-N 1 1 409.563 4.026 40 0 HIABMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2OCc2ccccc2)CC[C@@H]1O ZINC000585263538 559112005 /nfs/dbraw/zinc/11/20/05/559112005.db2.gz OXZJUNQKORJBRV-ZEQRLZLVSA-N 1 1 424.585 4.025 40 0 HIABMO O=C(CCc1ccccc1)N1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355105 559185792 /nfs/dbraw/zinc/18/57/92/559185792.db2.gz DPRDELZXUKQSHI-VWLOTQADSA-N 1 1 413.565 4.218 40 0 HIABMO Cc1noc(C)c1COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(C)cc2C)cc1 ZINC000257251471 559284555 /nfs/dbraw/zinc/28/45/55/559284555.db2.gz JQXPYOOPMMNVAG-QFIPXVFZSA-N 1 1 424.541 4.359 40 0 HIABMO CC(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514289883 560031365 /nfs/dbraw/zinc/03/13/65/560031365.db2.gz PRIPMQJJMXHALE-JAXLGGSGSA-N 1 1 404.551 4.230 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@H+](Cc2cccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289754 560031959 /nfs/dbraw/zinc/03/19/59/560031959.db2.gz DBVBYIPCGUHEHM-JAXLGGSGSA-N 1 1 412.580 4.306 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@@H+](Cc2cccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289754 560031961 /nfs/dbraw/zinc/03/19/61/560031961.db2.gz DBVBYIPCGUHEHM-JAXLGGSGSA-N 1 1 412.580 4.306 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@@H+](CC2CCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289674 560032062 /nfs/dbraw/zinc/03/20/62/560032062.db2.gz NHVMJASAZZIWSU-SONWIMMPSA-N 1 1 410.533 4.312 40 0 biogenic,in-vitro HIABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000514289430 560032440 /nfs/dbraw/zinc/03/24/40/560032440.db2.gz KQCBRKAMVWEKIP-GGAORHGYSA-N 1 1 412.480 4.339 40 0 biogenic,in-vitro HIABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NC(C(C)C)C(C)C)cc2)CC1 ZINC000408863179 560648099 /nfs/dbraw/zinc/64/80/99/560648099.db2.gz PZMQOHTYDHNVTR-UHFFFAOYSA-N 1 1 423.601 4.428 40 0 HIABMO Cc1cc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc(C)c1Cl ZINC000017092925 560867441 /nfs/dbraw/zinc/86/74/41/560867441.db2.gz RASNOBUTLOSBRY-UHFFFAOYSA-N 1 1 422.356 4.380 40 0 HIABMO Cc1cccc(-c2noc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)n2)c1 ZINC000219239897 568488263 /nfs/dbraw/zinc/48/82/63/568488263.db2.gz XOJJGVYXTKYZPY-GOSISDBHSA-N 1 1 404.514 4.207 40 0 HIABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057584829 568492874 /nfs/dbraw/zinc/49/28/74/568492874.db2.gz XYWZCSQXOSDXQV-JOCHJYFZSA-N 1 1 420.561 4.292 40 0 HIABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057584829 568492875 /nfs/dbraw/zinc/49/28/75/568492875.db2.gz XYWZCSQXOSDXQV-JOCHJYFZSA-N 1 1 420.561 4.292 40 0 HIABMO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000224105640 568570069 /nfs/dbraw/zinc/57/00/69/568570069.db2.gz ZWFUDVHJPAYJIZ-RUZDIDTESA-N 1 1 406.570 4.287 40 0 HIABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000224541788 568584255 /nfs/dbraw/zinc/58/42/55/568584255.db2.gz FASYQLCVVZSKJY-LGUFXXKBSA-N 1 1 412.533 4.376 40 0 HIABMO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224751827 568595058 /nfs/dbraw/zinc/59/50/58/568595058.db2.gz QVFQVBOPZAYZSC-DEOSSOPVSA-N 1 1 424.585 4.290 40 0 HIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225467757 568640509 /nfs/dbraw/zinc/64/05/09/568640509.db2.gz DRMFEIVEURLMIN-OAQYLSRUSA-N 1 1 406.570 4.397 40 0 HIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225586183 568654812 /nfs/dbraw/zinc/65/48/12/568654812.db2.gz WPSYYBMFLNTWOA-NRFANRHFSA-N 1 1 424.004 4.462 40 0 HIABMO Cc1nc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2n1C ZINC000225894194 568683933 /nfs/dbraw/zinc/68/39/33/568683933.db2.gz NBZCCJOEYIKQOH-UHFFFAOYSA-N 1 1 424.548 4.429 40 0 HIABMO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1cccc(F)c1 ZINC000257202898 568776893 /nfs/dbraw/zinc/77/68/93/568776893.db2.gz ANVSFBKCZYRZEF-UHFFFAOYSA-N 1 1 405.477 4.177 40 0 HIABMO COc1ccc(-c2cncc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257249168 568790205 /nfs/dbraw/zinc/79/02/05/568790205.db2.gz JHCPWAVZJNFOQE-VWLOTQADSA-N 1 1 412.493 4.274 40 0 HIABMO COc1ccc(-c2cncc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257249168 568790207 /nfs/dbraw/zinc/79/02/07/568790207.db2.gz JHCPWAVZJNFOQE-VWLOTQADSA-N 1 1 412.493 4.274 40 0 HIABMO CN(C)C(=O)c1sc2nccnc2c1C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000257267607 568794997 /nfs/dbraw/zinc/79/49/97/568794997.db2.gz MIASXAPWMNEPAE-UHFFFAOYSA-N 1 1 416.497 4.051 40 0 HIABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257269941 568795500 /nfs/dbraw/zinc/79/55/00/568795500.db2.gz MSBHCTSKBCKTOJ-SFHVURJKSA-N 1 1 418.545 4.021 40 0 HIABMO Fc1ccc(Nc2ccc([C@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)nc2)nc1 ZINC000257305589 568806160 /nfs/dbraw/zinc/80/61/60/568806160.db2.gz SQQZCDPCFMHRFB-HSZRJFAPSA-N 1 1 415.472 4.481 40 0 HIABMO Fc1ccc(Nc2ccc([C@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)nc2)nc1 ZINC000257305589 568806161 /nfs/dbraw/zinc/80/61/61/568806161.db2.gz SQQZCDPCFMHRFB-HSZRJFAPSA-N 1 1 415.472 4.481 40 0 HIABMO Fc1ccccc1-c1ccccc1C[N@H+]1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257332650 568814012 /nfs/dbraw/zinc/81/40/12/568814012.db2.gz XYDOUKGUZKJPGN-IBGZPJMESA-N 1 1 416.500 4.227 40 0 HIABMO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1cccc2ccccc21 ZINC000257335055 568814567 /nfs/dbraw/zinc/81/45/67/568814567.db2.gz YINDYZOUUJHFHT-AHWVRZQESA-N 1 1 416.521 4.229 40 0 HIABMO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1cccc2ccccc21 ZINC000257335055 568814570 /nfs/dbraw/zinc/81/45/70/568814570.db2.gz YINDYZOUUJHFHT-AHWVRZQESA-N 1 1 416.521 4.229 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306126600 568889354 /nfs/dbraw/zinc/88/93/54/568889354.db2.gz DZXGMSLVMPESSW-HXUWFJFHSA-N 1 1 404.493 4.131 40 0 HIABMO O=C1N(Cc2cccs2)CC[C@@]12C[N@@H+](Cc1ccccc1)C[C@@H]2c1nccs1 ZINC000306128663 568891495 /nfs/dbraw/zinc/89/14/95/568891495.db2.gz HHTRHXBPXRUMCB-KNQAVFIVSA-N 1 1 409.580 4.223 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccc(OC)c5)cn4n3)C2)cn1 ZINC000306130437 568892965 /nfs/dbraw/zinc/89/29/65/568892965.db2.gz JGISMFRNEUTRQJ-OAQYLSRUSA-N 1 1 416.529 4.001 40 0 HIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccoc5)C4)nn3c2)c1OC ZINC000306138677 568900691 /nfs/dbraw/zinc/90/06/91/568900691.db2.gz SEAHFJSIQFKRQE-LJQANCHMSA-N 1 1 418.497 4.386 40 0 HIABMO O=C(Nc1ccccc1)[C@@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)CC[C@@H]2[N@H+]1CC1CC1 ZINC000306139403 568901327 /nfs/dbraw/zinc/90/13/27/568901327.db2.gz SWNIJFMKEYVFFV-OIBXWCBGSA-N 1 1 418.541 4.032 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1 ZINC000012365833 569344768 /nfs/dbraw/zinc/34/47/68/569344768.db2.gz DAMWBOGYLLXOCT-PZJWPPBQSA-N 1 1 413.587 4.410 40 0 HIABMO O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019014822 569345222 /nfs/dbraw/zinc/34/52/22/569345222.db2.gz RJAQBXNKDSSRSC-KNQAVFIVSA-N 1 1 424.589 4.140 40 0 HIABMO CC1CC[NH+]([C@@H](C(=O)Nc2cnn(Cc3ccccc3F)c2)c2ccccc2)CC1 ZINC000141592538 569355029 /nfs/dbraw/zinc/35/50/29/569355029.db2.gz JCEQHTIKEWFOAH-HSZRJFAPSA-N 1 1 406.505 4.482 40 0 HIABMO CC[C@@H](C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C2CC2)[nH+]1 ZINC000329008502 571309070 /nfs/dbraw/zinc/30/90/70/571309070.db2.gz LRMACAOMGLRNRS-CYBMUJFWSA-N 1 1 406.452 5.026 40 0 HIABMO COc1cc2cc(CNc3ccc([N@@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2cc1OC ZINC000012088287 132353680 /nfs/dbraw/zinc/35/36/80/132353680.db2.gz CSXYXVHSKYCHAU-MRXNPFEDSA-N 1 1 407.514 4.394 40 0 HIABMO COc1cc2cc(CNc3ccc([N@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2cc1OC ZINC000012088287 132353681 /nfs/dbraw/zinc/35/36/81/132353681.db2.gz CSXYXVHSKYCHAU-MRXNPFEDSA-N 1 1 407.514 4.394 40 0 HIABMO C[NH2+]Cc1nc(C)c2c(n1)N(CCc1cn(C3CCCC3)c3ccccc13)C(=O)CC2 ZINC000019703787 132468940 /nfs/dbraw/zinc/46/89/40/132468940.db2.gz OTRYMIYMAGARDD-UHFFFAOYSA-N 1 1 417.557 4.096 40 0 HIABMO CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044786709 519742150 /nfs/dbraw/zinc/74/21/50/519742150.db2.gz FLTADQBQRBWLMN-LJQANCHMSA-N 1 1 411.521 4.062 40 0 HIABMO CN(CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000044916819 522842992 /nfs/dbraw/zinc/84/29/92/522842992.db2.gz LKEDMUVTOPFXBD-UHFFFAOYSA-N 1 1 420.384 4.458 40 0 HIABMO O=C(C1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CCc2ccccc2C1 ZINC000045771107 526302865 /nfs/dbraw/zinc/30/28/65/526302865.db2.gz KVAWLBAUGIYZEI-UHFFFAOYSA-N 1 1 413.359 4.246 40 0 HIABMO CC[NH+]1CCN(C(=S)c2cccc(OC)c2OCc2c(F)cccc2Cl)CC1 ZINC000408575462 557478851 /nfs/dbraw/zinc/47/88/51/557478851.db2.gz OKJZDKYJSQIIOC-UHFFFAOYSA-N 1 1 422.953 4.380 40 0 HIABMO COc1ccccc1CN1C(=O)Cc2c1nc([C@H]1CCC[N@H+](C3CCCC3)C1)nc2C ZINC000019744146 558264678 /nfs/dbraw/zinc/26/46/78/558264678.db2.gz VBTUBGVBBPGFBT-IBGZPJMESA-N 1 1 420.557 4.005 40 0 HIABMO Cc1nc([C@@H]2CCC[N@H+]2CC(c2ccccc2)c2ccccc2)nc2c1CC(=O)N2C ZINC000019744276 558264770 /nfs/dbraw/zinc/26/47/70/558264770.db2.gz UTRZFBZNMROXOU-QHCPKHFHSA-N 1 1 412.537 4.273 40 0 HIABMO COc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C2)CCCCC3)ccc1OCC(N)=O ZINC000012228113 558357287 /nfs/dbraw/zinc/35/72/87/558357287.db2.gz OIUYMHKLLTZGEX-NRFANRHFSA-N 1 1 408.542 4.109 40 0 HIABMO CCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)c(C)cc1OC ZINC000012345581 558386538 /nfs/dbraw/zinc/38/65/38/558386538.db2.gz NQFLSMYXDJMGMH-KEVCNVLYSA-N 1 1 411.542 4.426 40 0 HIABMO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039757169 558688145 /nfs/dbraw/zinc/68/81/45/558688145.db2.gz SPVWISYHLOOHKX-UHFFFAOYSA-N 1 1 404.869 4.116 40 0 HIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2Cl)CC1 ZINC000016681534 558799402 /nfs/dbraw/zinc/79/94/02/558799402.db2.gz ZSICUPOYCZQBRB-UHFFFAOYSA-N 1 1 422.754 4.497 40 0 HIABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851325 558818796 /nfs/dbraw/zinc/81/87/96/558818796.db2.gz WAKLLUOEXDEBIT-LJQANCHMSA-N 1 1 415.940 4.040 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)n1 ZINC000019236838 558856034 /nfs/dbraw/zinc/85/60/34/558856034.db2.gz KGXLHKJEJKZVDI-SQJMNOBHSA-N 1 1 414.553 4.477 40 0 HIABMO O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC000019339239 558871011 /nfs/dbraw/zinc/87/10/11/558871011.db2.gz OYAOUASHSNWDQO-YPAWHYETSA-N 1 1 421.541 4.413 40 0 HIABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000019401985 558883854 /nfs/dbraw/zinc/88/38/54/558883854.db2.gz CRTRQZJWEQEGDK-XZQOPNAISA-N 1 1 415.537 4.175 40 0 HIABMO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)cc2n1 ZINC000019522440 558903705 /nfs/dbraw/zinc/90/37/05/558903705.db2.gz LLWHKVCEXZHMME-HNNXBMFYSA-N 1 1 404.436 4.309 40 0 HIABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019528746 558909979 /nfs/dbraw/zinc/90/99/79/558909979.db2.gz ZMIJDFOIXHNISD-RUZDIDTESA-N 1 1 418.541 4.006 40 0 HIABMO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019528741 558910018 /nfs/dbraw/zinc/91/00/18/558910018.db2.gz WBKQLPCRLJOWOG-VWLOTQADSA-N 1 1 418.541 4.006 40 0 HIABMO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc1CO ZINC000019559364 558920751 /nfs/dbraw/zinc/92/07/51/558920751.db2.gz APUHUOOITRAYOC-RBUKOAKNSA-N 1 1 413.468 4.231 40 0 HIABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 ZINC000072335296 558936447 /nfs/dbraw/zinc/93/64/47/558936447.db2.gz QJSFELWRKPQBHH-WCAVRKLYSA-N 1 1 405.542 4.020 40 0 HIABMO Cc1nc(C2=CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)CC2)nc(N2CCCC2)c1C ZINC000072339579 558938610 /nfs/dbraw/zinc/93/86/10/558938610.db2.gz GAYYZDIMSZNWCS-OAQYLSRUSA-N 1 1 412.965 4.170 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)c1 ZINC000072340871 558939326 /nfs/dbraw/zinc/93/93/26/558939326.db2.gz IUOCMFMMJZJORJ-INIZCTEOSA-N 1 1 404.436 4.445 40 0 HIABMO Cc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344805 558941146 /nfs/dbraw/zinc/94/11/46/558941146.db2.gz JRSYBMZDWPWLMO-QFIPXVFZSA-N 1 1 402.542 4.370 40 0 HIABMO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)nc1C ZINC000072346275 558943266 /nfs/dbraw/zinc/94/32/66/558943266.db2.gz MOBZALMWWJPHPA-JOCHJYFZSA-N 1 1 405.546 4.476 40 0 HIABMO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@H+]2Cc2ccc3[nH]ccc3c2)nc1C ZINC000072346275 558943270 /nfs/dbraw/zinc/94/32/70/558943270.db2.gz MOBZALMWWJPHPA-JOCHJYFZSA-N 1 1 405.546 4.476 40 0 HIABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cc(Cc3ccc(OC)cc3)cc(C)n2)C1 ZINC000072353810 558950868 /nfs/dbraw/zinc/95/08/68/558950868.db2.gz KLJBKKSKHMZRAA-QFIPXVFZSA-N 1 1 409.574 4.037 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000072359066 558954751 /nfs/dbraw/zinc/95/47/51/558954751.db2.gz SVYQFQNTLKRGIJ-QGZVFWFLSA-N 1 1 401.436 4.276 40 0 HIABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4ccc(-c5cnc(N)nc5)cn4)C3)ccc2O1 ZINC000019689299 558958563 /nfs/dbraw/zinc/95/85/63/558958563.db2.gz HJPCEKUZZAPOKU-LJQANCHMSA-N 1 1 415.541 4.214 40 0 HIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3S(=O)(=O)c3ccccc3)c2)n1 ZINC000072372517 558960139 /nfs/dbraw/zinc/96/01/39/558960139.db2.gz LHHMJBBFVMQICA-OAQYLSRUSA-N 1 1 423.542 4.066 40 0 HIABMO CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC000019694758 558963267 /nfs/dbraw/zinc/96/32/67/558963267.db2.gz AQVVHMMDNNWQEV-FQEVSTJZSA-N 1 1 410.953 4.324 40 0 HIABMO CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC000019694758 558963270 /nfs/dbraw/zinc/96/32/70/558963270.db2.gz AQVVHMMDNNWQEV-FQEVSTJZSA-N 1 1 410.953 4.324 40 0 HIABMO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCC[N@H+]3C3CCCC3)nc21 ZINC000019695976 558964349 /nfs/dbraw/zinc/96/43/49/558964349.db2.gz IWSJVAQHTCRGNH-NRFANRHFSA-N 1 1 420.557 4.353 40 0 HIABMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)cc1CO ZINC000072376442 558965786 /nfs/dbraw/zinc/96/57/86/558965786.db2.gz ZDULXRCVEMABEG-OAQYLSRUSA-N 1 1 419.529 4.152 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)cc1CO ZINC000072376442 558965787 /nfs/dbraw/zinc/96/57/87/558965787.db2.gz ZDULXRCVEMABEG-OAQYLSRUSA-N 1 1 419.529 4.152 40 0 HIABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1C ZINC000072376624 558965792 /nfs/dbraw/zinc/96/57/92/558965792.db2.gz AOUVHOUOAYBQNM-QFIPXVFZSA-N 1 1 420.561 4.080 40 0 HIABMO COc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ccccn3)[C@@H]2C1 ZINC000072392551 558972125 /nfs/dbraw/zinc/97/21/25/558972125.db2.gz HGTGAATWKRVWAD-SYVJQLTCSA-N 1 1 400.522 4.487 40 0 HIABMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 ZINC000072392974 558972759 /nfs/dbraw/zinc/97/27/59/558972759.db2.gz JXHYARFJLCYXHH-KRWDZBQOSA-N 1 1 417.488 4.140 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3cccc(C)c3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394054 558973295 /nfs/dbraw/zinc/97/32/95/558973295.db2.gz MEOIACIAOISYGZ-VWLOTQADSA-N 1 1 419.525 4.433 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000072394071 558973540 /nfs/dbraw/zinc/97/35/40/558973540.db2.gz BEKCLSSAUBVLQN-RUZDIDTESA-N 1 1 419.525 4.433 40 0 HIABMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)c1 ZINC000006170306 559067544 /nfs/dbraw/zinc/06/75/44/559067544.db2.gz PVMCCDFMXMPZMI-TUSQITKMSA-N 1 1 424.541 4.011 40 0 HIABMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)c1 ZINC000006170306 559067545 /nfs/dbraw/zinc/06/75/45/559067545.db2.gz PVMCCDFMXMPZMI-TUSQITKMSA-N 1 1 424.541 4.011 40 0 HIABMO C[N@H+]1CCCN(C(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)CC1 ZINC000096155525 559099777 /nfs/dbraw/zinc/09/97/77/559099777.db2.gz KYQCRNPQSFYMJZ-UHFFFAOYSA-N 1 1 400.482 4.039 40 0 HIABMO CC[C@@H](C)C[N@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270529 559116329 /nfs/dbraw/zinc/11/63/29/559116329.db2.gz ZBRNOIREPPJJRK-AUSIDOKSSA-N 1 1 422.997 4.239 40 0 HIABMO CC[N@H+]1CCC[C@H]1CNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257221970 559283643 /nfs/dbraw/zinc/28/36/43/559283643.db2.gz DRILNYQJXJZZSW-DEOSSOPVSA-N 1 1 424.560 4.433 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1 ZINC000257284730 559285536 /nfs/dbraw/zinc/28/55/36/559285536.db2.gz PEAAVTRNUXVMPR-QHCPKHFHSA-N 1 1 416.949 4.321 40 0 HIABMO CC(=O)N1CC[N@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1c1ccccc1 ZINC000257302185 559286132 /nfs/dbraw/zinc/28/61/32/559286132.db2.gz SBVOCUVIVZYLHU-DEOSSOPVSA-N 1 1 401.510 4.066 40 0 HIABMO CC(=O)N1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1c1ccccc1 ZINC000257302185 559286133 /nfs/dbraw/zinc/28/61/33/559286133.db2.gz SBVOCUVIVZYLHU-DEOSSOPVSA-N 1 1 401.510 4.066 40 0 HIABMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289834 560031530 /nfs/dbraw/zinc/03/15/30/560031530.db2.gz IVFILVVQXUEBFX-WPFOTENUSA-N 1 1 406.551 4.245 40 0 biogenic,in-vitro HIABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)cc12 ZINC000000894152 560543641 /nfs/dbraw/zinc/54/36/41/560543641.db2.gz QPEUKOPXJVMAOQ-QFIPXVFZSA-N 1 1 420.561 4.212 40 0 HIABMO C[NH+]1CCN(C(=S)c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)CC1 ZINC000409200989 560692783 /nfs/dbraw/zinc/69/27/83/560692783.db2.gz MUZZZOVOKDFVDG-UHFFFAOYSA-N 1 1 413.974 4.297 40 0 HIABMO O[C@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022459748 560890960 /nfs/dbraw/zinc/89/09/60/560890960.db2.gz SYXODTJRUWLWOF-VWLOTQADSA-N 1 1 408.586 4.292 40 0 HIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225583552 568654166 /nfs/dbraw/zinc/65/41/66/568654166.db2.gz CDQOVMFFLQIIMO-LJQANCHMSA-N 1 1 402.608 4.063 40 0 HIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225584659 568654483 /nfs/dbraw/zinc/65/44/83/568654483.db2.gz YVDPRQRZALPHCK-OAQYLSRUSA-N 1 1 416.635 4.254 40 0 HIABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225664112 568661599 /nfs/dbraw/zinc/66/15/99/568661599.db2.gz BIYGRPLNYPGHIR-GBXCKJPGSA-N 1 1 418.578 4.102 40 0 HIABMO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225664020 568661630 /nfs/dbraw/zinc/66/16/30/568661630.db2.gz BIYGRPLNYPGHIR-YKSBVNFPSA-N 1 1 418.578 4.102 40 0 HIABMO Cn1cncc1C[N@@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257211639 568779607 /nfs/dbraw/zinc/77/96/07/568779607.db2.gz BZQOJMKKXMDUFV-ZJOUEHCJSA-N 1 1 420.479 4.203 40 0 HIABMO Cn1cncc1C[N@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257211639 568779609 /nfs/dbraw/zinc/77/96/09/568779609.db2.gz BZQOJMKKXMDUFV-ZJOUEHCJSA-N 1 1 420.479 4.203 40 0 HIABMO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)c2ccc(F)cc21 ZINC000257217109 568780965 /nfs/dbraw/zinc/78/09/65/568780965.db2.gz CXMXDIMQBNIDHJ-DEOSSOPVSA-N 1 1 419.504 4.169 40 0 HIABMO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)c2ccc(F)cc21 ZINC000257217109 568780967 /nfs/dbraw/zinc/78/09/67/568780967.db2.gz CXMXDIMQBNIDHJ-DEOSSOPVSA-N 1 1 419.504 4.169 40 0 HIABMO Cc1nc(C[N@@H+]2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccc(C(F)(F)F)cc2)co1 ZINC000257237128 568786683 /nfs/dbraw/zinc/78/66/83/568786683.db2.gz HFHKQRULDUUHKP-ICSRJNTNSA-N 1 1 407.436 4.157 40 0 HIABMO Cc1nc(C[N@H+]2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccc(C(F)(F)F)cc2)co1 ZINC000257237128 568786685 /nfs/dbraw/zinc/78/66/85/568786685.db2.gz HFHKQRULDUUHKP-ICSRJNTNSA-N 1 1 407.436 4.157 40 0 HIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257276917 568797620 /nfs/dbraw/zinc/79/76/20/568797620.db2.gz NVQYUAGWCXVOLJ-JOCHJYFZSA-N 1 1 408.590 4.273 40 0 HIABMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)c1 ZINC000257277964 568797963 /nfs/dbraw/zinc/79/79/63/568797963.db2.gz OADZVYMFWFXSKT-NOZRDPDXSA-N 1 1 408.542 4.082 40 0 HIABMO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)c1 ZINC000257277964 568797966 /nfs/dbraw/zinc/79/79/66/568797966.db2.gz OADZVYMFWFXSKT-NOZRDPDXSA-N 1 1 408.542 4.082 40 0 HIABMO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)nn2c1 ZINC000306130273 568892785 /nfs/dbraw/zinc/89/27/85/568892785.db2.gz JAVCXFYJWLUHPO-GOSISDBHSA-N 1 1 417.488 4.319 40 0 HIABMO Cc1ccsc1C[N@@H+]1CCN(C)[C@@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306134873 568896813 /nfs/dbraw/zinc/89/68/13/568896813.db2.gz OAJSHIJMZCEOHP-OAQYLSRUSA-N 1 1 403.555 4.255 40 0 HIABMO COc1ncccc1C[N@H+]1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306143877 568905227 /nfs/dbraw/zinc/90/52/27/568905227.db2.gz YPGFWVZLQCFGTG-KRWDZBQOSA-N 1 1 405.527 4.241 40 0 HIABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@H]21 ZINC000229942808 569287190 /nfs/dbraw/zinc/28/71/90/569287190.db2.gz UPSVTWZBYSGRDW-PWHSHALESA-N 1 1 424.932 4.437 40 0 HIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000248033469 569316084 /nfs/dbraw/zinc/31/60/84/569316084.db2.gz YMTKDAKARQKANZ-OFNKIYASSA-N 1 1 423.605 4.297 40 0 HIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3cccc(C)c3)C2)[N@H+](C)C1 ZINC000248133692 569316302 /nfs/dbraw/zinc/31/63/02/569316302.db2.gz NVOOLVRPFINNGN-ZDXQCDESSA-N 1 1 421.585 4.175 40 0 HIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3cccc(C)c3)C2)[N@@H+](C)C1 ZINC000248133692 569316304 /nfs/dbraw/zinc/31/63/04/569316304.db2.gz NVOOLVRPFINNGN-ZDXQCDESSA-N 1 1 421.585 4.175 40 0 HIABMO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009062658 569342170 /nfs/dbraw/zinc/34/21/70/569342170.db2.gz KDTLMNCNCGCWME-JOCHJYFZSA-N 1 1 406.014 4.323 40 0 HIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009062658 569342171 /nfs/dbraw/zinc/34/21/71/569342171.db2.gz KDTLMNCNCGCWME-JOCHJYFZSA-N 1 1 406.014 4.323 40 0 HIABMO O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019014824 569345192 /nfs/dbraw/zinc/34/51/92/569345192.db2.gz RJAQBXNKDSSRSC-DENIHFKCSA-N 1 1 424.589 4.140 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c2ccccc21 ZINC000019290441 569345255 /nfs/dbraw/zinc/34/52/55/569345255.db2.gz ZAWCIFMIKYXEES-CJFMBICVSA-N 1 1 416.569 4.443 40 0 HIABMO CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+]1Cc1ccccn1 ZINC000019696555 569346831 /nfs/dbraw/zinc/34/68/31/569346831.db2.gz ZRKMRHXMQOASFH-RUZDIDTESA-N 1 1 418.541 4.182 40 0 HIABMO Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)Nc2ccc(F)cc2)c1 ZINC000019713358 569348423 /nfs/dbraw/zinc/34/84/23/569348423.db2.gz VBEKWOVMPKGYPJ-PKTZIBPZSA-N 1 1 423.532 4.118 40 0 HIABMO Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)Nc2ccc(F)cc2)c1 ZINC000019713358 569348424 /nfs/dbraw/zinc/34/84/24/569348424.db2.gz VBEKWOVMPKGYPJ-PKTZIBPZSA-N 1 1 423.532 4.118 40 0 HIABMO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@@H+]2Cc2ccc(Cl)c(F)c2)cc1 ZINC000019713921 569348447 /nfs/dbraw/zinc/34/84/47/569348447.db2.gz PBWUNWMAQAHHNH-PWRODBHTSA-N 1 1 402.897 4.472 40 0 HIABMO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@H+]2Cc2ccc(Cl)c(F)c2)cc1 ZINC000019713921 569348448 /nfs/dbraw/zinc/34/84/48/569348448.db2.gz PBWUNWMAQAHHNH-PWRODBHTSA-N 1 1 402.897 4.472 40 0 HIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](COc2ccccc2C)C1 ZINC000019237373 571314425 /nfs/dbraw/zinc/31/44/25/571314425.db2.gz YJTJDKJNXMXYCE-NRFANRHFSA-N 1 1 403.526 4.479 40 0 HIABMO CCOc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)cc1 ZINC000012089670 132353959 /nfs/dbraw/zinc/35/39/59/132353959.db2.gz HXSGCLGCONLJAY-VWLOTQADSA-N 1 1 421.516 4.023 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 ZINC000072341496 524030500 /nfs/dbraw/zinc/03/05/00/524030500.db2.gz UCGLGLADPNAPFW-FQEVSTJZSA-N 1 1 407.518 4.160 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019765415 527077045 /nfs/dbraw/zinc/07/70/45/527077045.db2.gz CSRRODGIYIYPCM-NRFANRHFSA-N 1 1 418.516 4.234 40 0 HIABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)cc(Cl)c1OCc1ccccc1 ZINC000408577890 557481160 /nfs/dbraw/zinc/48/11/60/557481160.db2.gz VLTUVKUVICHFBA-UHFFFAOYSA-N 1 1 404.963 4.241 40 0 HIABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000035818414 557825280 /nfs/dbraw/zinc/82/52/80/557825280.db2.gz BQBYREJDSYUJFB-UHFFFAOYSA-N 1 1 419.500 4.409 40 0 HIABMO O=C(c1ccc(Cl)nc1Cl)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000036569482 557849101 /nfs/dbraw/zinc/84/91/01/557849101.db2.gz JRJMZGVDWPHJIW-BUIAKZPTSA-N 1 1 406.357 4.424 40 0 HIABMO CCCn1ncc2ccc([C@@H]3CCC[N@@H+](CC(=O)N4CCCc5ccccc54)C3)nc21 ZINC000019742194 558262423 /nfs/dbraw/zinc/26/24/23/558262423.db2.gz VNQNUPKDYMAIEE-OAQYLSRUSA-N 1 1 417.557 4.000 40 0 HIABMO CCCn1ncc2ccc([C@H]3CCC[N@@H+](CC(=O)N4CCCc5ccccc54)C3)nc21 ZINC000019742196 558262441 /nfs/dbraw/zinc/26/24/41/558262441.db2.gz VNQNUPKDYMAIEE-NRFANRHFSA-N 1 1 417.557 4.000 40 0 HIABMO O=C(NCc1ccccc1-n1ccnc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019934357 558311439 /nfs/dbraw/zinc/31/14/39/558311439.db2.gz QWPZHCMPYKMLIZ-UHFFFAOYSA-N 1 1 422.532 4.361 40 0 HIABMO COc1ccc(C[N@H+](Cc2cccn2-c2ccccn2)C[C@H]2CCCO2)cc1OC ZINC000012148068 558338424 /nfs/dbraw/zinc/33/84/24/558338424.db2.gz DBGDXCNPZOCJHK-OAQYLSRUSA-N 1 1 407.514 4.071 40 0 HIABMO COc1ccc(-c2cccc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)c2)cc1 ZINC000012185807 558345249 /nfs/dbraw/zinc/34/52/49/558345249.db2.gz QEVUNMZOJHSXAE-GOSISDBHSA-N 1 1 405.494 4.474 40 0 HIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000022913723 558520478 /nfs/dbraw/zinc/52/04/78/558520478.db2.gz LDOKFAAHBCIWKS-QFIPXVFZSA-N 1 1 403.530 4.150 40 0 HIABMO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000039759994 558685416 /nfs/dbraw/zinc/68/54/16/558685416.db2.gz GMYDPKAVTIDANZ-UHFFFAOYSA-N 1 1 418.940 4.449 40 0 HIABMO O=C1C[C@H]([NH+]2CCC(CCc3ccc(F)cc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000015080845 558719015 /nfs/dbraw/zinc/71/90/15/558719015.db2.gz UDCIFVIUCNFHEP-NRFANRHFSA-N 1 1 414.908 4.456 40 0 HIABMO CCc1nnc(-c2ccc(OC)c(NC(=O)[C@H](c3ccccc3)[NH+]3CCCCC3)c2)o1 ZINC000036752417 558802867 /nfs/dbraw/zinc/80/28/67/558802867.db2.gz BYJAWXCKSKJUAQ-QFIPXVFZSA-N 1 1 420.513 4.473 40 0 HIABMO CCOC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834577 558817761 /nfs/dbraw/zinc/81/77/61/558817761.db2.gz GJCZYTHZJVNTDY-KRWDZBQOSA-N 1 1 400.906 4.367 40 0 HIABMO O=C(Nc1ccc(I)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834812 558817776 /nfs/dbraw/zinc/81/77/76/558817776.db2.gz IBXHFXITEMETQO-MRXNPFEDSA-N 1 1 420.294 4.142 40 0 HIABMO O=C(Nc1ccc(I)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834811 558817811 /nfs/dbraw/zinc/81/78/11/558817811.db2.gz IBXHFXITEMETQO-INIZCTEOSA-N 1 1 420.294 4.142 40 0 HIABMO Cc1ccccc1CSCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038853012 558819038 /nfs/dbraw/zinc/81/90/38/558819038.db2.gz YJCOINLWMJUUHF-FQEVSTJZSA-N 1 1 400.563 4.396 40 0 HIABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019081861 558839993 /nfs/dbraw/zinc/83/99/93/558839993.db2.gz QEPXLMUAVBMRPA-UWJYYQICSA-N 1 1 401.501 4.475 40 0 HIABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)ccc1OC1CCCC1 ZINC000019215995 558850042 /nfs/dbraw/zinc/85/00/42/558850042.db2.gz QWORLZQCGYTLDV-HXAGEGRHSA-N 1 1 422.569 4.450 40 0 HIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000019234959 558854146 /nfs/dbraw/zinc/85/41/46/558854146.db2.gz OAVJKABNINHNRL-AREMUKBSSA-N 1 1 414.553 4.023 40 0 HIABMO CNc1cc([C@H]2CCC[N@@H+](Cc3cccc(C)c3OC)C2)nc(-c2cccnc2)n1 ZINC000019235973 558855119 /nfs/dbraw/zinc/85/51/19/558855119.db2.gz IZJIVIQCEJQDMO-IBGZPJMESA-N 1 1 403.530 4.277 40 0 HIABMO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]21 ZINC000019237873 558856940 /nfs/dbraw/zinc/85/69/40/558856940.db2.gz DZQXHIZBMQVVEY-LJGDZFJRSA-N 1 1 415.537 4.094 40 0 HIABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019287749 558861058 /nfs/dbraw/zinc/86/10/58/558861058.db2.gz LOVBGCINRZABOK-PGRDOPGGSA-N 1 1 419.525 4.089 40 0 HIABMO O=C(Cc1ccccc1)N1C[C@@H]2CCCC[N@H+](CCCOc3ccccc3F)[C@@H]2C1 ZINC000019370313 558878375 /nfs/dbraw/zinc/87/83/75/558878375.db2.gz WXVBTQXLBUHUFP-JTHBVZDNSA-N 1 1 410.533 4.150 40 0 HIABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000019400716 558883421 /nfs/dbraw/zinc/88/34/21/558883421.db2.gz ABPCOEQLDUNCQV-WZONZLPQSA-N 1 1 422.479 4.138 40 0 HIABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000019400716 558883424 /nfs/dbraw/zinc/88/34/24/558883424.db2.gz ABPCOEQLDUNCQV-WZONZLPQSA-N 1 1 422.479 4.138 40 0 HIABMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019454309 558891298 /nfs/dbraw/zinc/89/12/98/558891298.db2.gz JNGMAKAHJIHTBV-NQIIRXRSSA-N 1 1 419.525 4.439 40 0 HIABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CC=CCC4)[nH]c(=O)c3C2)CC1 ZINC000019495978 558894879 /nfs/dbraw/zinc/89/48/79/558894879.db2.gz SDETYPROWHVNFW-LAKQMRRBSA-N 1 1 424.589 4.139 40 0 HIABMO CCc1oc2ccccc2c1C[N@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019521359 558902645 /nfs/dbraw/zinc/90/26/45/558902645.db2.gz JWUJKVHYCQZOIO-NBGIEHNGSA-N 1 1 403.526 4.419 40 0 HIABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+](Cc4ccc(OC)cc4)C3)cc2n1 ZINC000019522425 558903723 /nfs/dbraw/zinc/90/37/23/558903723.db2.gz ZSHOCIIYCPIRMS-OAHLLOKOSA-N 1 1 404.436 4.309 40 0 HIABMO CCCc1ncc(C[N@H+]2CC[C@@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019525729 558907341 /nfs/dbraw/zinc/90/73/41/558907341.db2.gz IUKOCECZIMDLNJ-OAHLLOKOSA-N 1 1 418.467 4.043 40 0 HIABMO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccc2F)C1 ZINC000019529150 558910779 /nfs/dbraw/zinc/91/07/79/558910779.db2.gz PRALENAWXWVANA-AREMUKBSSA-N 1 1 417.528 4.459 40 0 HIABMO Cc1ncsc1-c1nnc(C2CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)o1 ZINC000019563179 558923583 /nfs/dbraw/zinc/92/35/83/558923583.db2.gz QFVVEWGFEOKLKQ-UHFFFAOYSA-N 1 1 418.906 4.263 40 0 HIABMO COc1cccc(OCC2C3CCC(C3)[N@H+]2Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000019566010 558925929 /nfs/dbraw/zinc/92/59/29/558925929.db2.gz VTGFTJPFOSVDII-UEXGIBASSA-N 1 1 413.514 4.153 40 0 HIABMO COc1ccccc1NC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019571298 558929896 /nfs/dbraw/zinc/92/98/96/558929896.db2.gz RWBLUICYQGUWEZ-QGZVFWFLSA-N 1 1 409.461 4.454 40 0 HIABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 ZINC000019577463 558933216 /nfs/dbraw/zinc/93/32/16/558933216.db2.gz XMOFEAGSMVCUAW-KRWDZBQOSA-N 1 1 411.575 4.272 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000019579543 558935072 /nfs/dbraw/zinc/93/50/72/558935072.db2.gz VWCJWCITUNUEAV-RUZDIDTESA-N 1 1 403.526 4.255 40 0 HIABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)C1 ZINC000072330588 558935154 /nfs/dbraw/zinc/93/51/54/558935154.db2.gz ONUZYKQENOTARR-XSHFQTFOSA-N 1 1 419.569 4.233 40 0 HIABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 ZINC000072335295 558936438 /nfs/dbraw/zinc/93/64/38/558936438.db2.gz QJSFELWRKPQBHH-HFJQGTKSSA-N 1 1 405.542 4.020 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H](Cn3ccnc3C)C2)cc1Cc1c(C)n[nH]c1C ZINC000019658395 558950448 /nfs/dbraw/zinc/95/04/48/558950448.db2.gz STIYMLAYMIYDHW-NRFANRHFSA-N 1 1 407.562 4.043 40 0 HIABMO O=C(C[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1)NC1CCCCC1 ZINC000072359412 558954972 /nfs/dbraw/zinc/95/49/72/558954972.db2.gz HTBYTUWSXCLSJM-UHFFFAOYSA-N 1 1 412.965 4.425 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019687418 558957353 /nfs/dbraw/zinc/95/73/53/558957353.db2.gz OXNDPIQLGJCVTQ-FQEVSTJZSA-N 1 1 410.953 4.242 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)s1 ZINC000072371795 558959114 /nfs/dbraw/zinc/95/91/14/558959114.db2.gz VMEGNEQRDSMNRY-HNNXBMFYSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)s1 ZINC000072371795 558959117 /nfs/dbraw/zinc/95/91/17/558959117.db2.gz VMEGNEQRDSMNRY-HNNXBMFYSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)s1 ZINC000072371795 558959119 /nfs/dbraw/zinc/95/91/19/558959119.db2.gz VMEGNEQRDSMNRY-HNNXBMFYSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1nc([C@@H]2CCC[N@H+](C3CCCC3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000072371922 558959256 /nfs/dbraw/zinc/95/92/56/558959256.db2.gz RNDGDWXQWUJVBE-OAQYLSRUSA-N 1 1 418.585 4.429 40 0 HIABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)c1C ZINC000019690021 558959416 /nfs/dbraw/zinc/95/94/16/558959416.db2.gz YHHSYBFLTFOACW-NRFANRHFSA-N 1 1 408.525 4.211 40 0 HIABMO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000019694360 558962609 /nfs/dbraw/zinc/96/26/09/558962609.db2.gz QYUJDVSBHQCMFL-HXUWFJFHSA-N 1 1 410.953 4.324 40 0 HIABMO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019694360 558962614 /nfs/dbraw/zinc/96/26/14/558962614.db2.gz QYUJDVSBHQCMFL-HXUWFJFHSA-N 1 1 410.953 4.324 40 0 HIABMO Cc1nc(C[N@@H+](C)C2CCCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698434 558965942 /nfs/dbraw/zinc/96/59/42/558965942.db2.gz ZKXDUBOYHVDFDC-UHFFFAOYSA-N 1 1 417.557 4.163 40 0 HIABMO Cc1nc(C[N@H+](C)C2CCCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698434 558965944 /nfs/dbraw/zinc/96/59/44/558965944.db2.gz ZKXDUBOYHVDFDC-UHFFFAOYSA-N 1 1 417.557 4.163 40 0 HIABMO Cc1nc(C[N@@H+](C)CC(C)(C)C)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698415 558965955 /nfs/dbraw/zinc/96/59/55/558965955.db2.gz UDACKKBNAAFWFI-UHFFFAOYSA-N 1 1 419.573 4.266 40 0 HIABMO Cc1nc(C[N@H+](C)CC(C)(C)C)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698415 558965957 /nfs/dbraw/zinc/96/59/57/558965957.db2.gz UDACKKBNAAFWFI-UHFFFAOYSA-N 1 1 419.573 4.266 40 0 HIABMO Cc1onc(C(=O)Nc2ccc(Cc3nc4cc(C)ccc4[nH]3)cc2)c1C[NH+](C)C ZINC000019714776 558974921 /nfs/dbraw/zinc/97/49/21/558974921.db2.gz VVRHLWMUEYPQBG-UHFFFAOYSA-N 1 1 403.486 4.072 40 0 HIABMO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCc4cnc[nH]4)CCOCC3)c2)c1 ZINC000257253989 558994669 /nfs/dbraw/zinc/99/46/69/558994669.db2.gz KBDHNWZFHITXQS-UHFFFAOYSA-N 1 1 417.553 4.392 40 0 HIABMO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3nccs3)CC1)nc2-c1cnn(C)c1 ZINC000096267207 559107947 /nfs/dbraw/zinc/10/79/47/559107947.db2.gz RINHQNDICVHOTF-UHFFFAOYSA-N 1 1 421.574 4.249 40 0 HIABMO O=C1CO[C@@]2(CN1c1ccc(F)cc1)CCC[N@@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000585261768 559109399 /nfs/dbraw/zinc/10/93/99/559109399.db2.gz IRLXEEJBOKLNAX-DEOSSOPVSA-N 1 1 407.489 4.095 40 0 HIABMO Nc1ncc(-c2ccccc2)c([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376852 559186621 /nfs/dbraw/zinc/18/66/21/559186621.db2.gz AWUYUNBKTAMCDX-HXUWFJFHSA-N 1 1 405.477 4.031 40 0 HIABMO Nc1ncc(-c2ccccc2)c([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376852 559186623 /nfs/dbraw/zinc/18/66/23/559186623.db2.gz AWUYUNBKTAMCDX-HXUWFJFHSA-N 1 1 405.477 4.031 40 0 HIABMO COc1cc(-c2[nH+]c3ccc(Br)cn3c2NC[C@@H]2CCCO2)ccc1O ZINC000000904275 560544822 /nfs/dbraw/zinc/54/48/22/560544822.db2.gz JQXYMMZCAVFAOH-AWEZNQCLSA-N 1 1 418.291 4.069 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000909855 560546009 /nfs/dbraw/zinc/54/60/09/560546009.db2.gz PIWGSERSCRSZPH-OAQYLSRUSA-N 1 1 422.577 4.242 40 0 HIABMO CCOC(=O)C1CC[NH+](c2ccc(NCc3cc4cccc(C)c4[nH]c3=O)cc2)CC1 ZINC000013563089 560816146 /nfs/dbraw/zinc/81/61/46/560816146.db2.gz ZCGLPXNNKVWYFC-UHFFFAOYSA-N 1 1 419.525 4.228 40 0 HIABMO c1ccc(C[NH+]2CCN([C@@H](c3nnnn3C3CCCCC3)c3ccccc3)CC2)cc1 ZINC000020121602 560880858 /nfs/dbraw/zinc/88/08/58/560880858.db2.gz JSCVAELOQBGRJZ-XMMPIXPASA-N 1 1 416.573 4.086 40 0 HIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCN3CCCc4ccccc43)cc2)C1 ZINC000219243105 568488443 /nfs/dbraw/zinc/48/84/43/568488443.db2.gz XAACEJAIAGJYBI-NRFANRHFSA-N 1 1 405.586 4.491 40 0 HIABMO O=C(NCc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000219420399 568491680 /nfs/dbraw/zinc/49/16/80/568491680.db2.gz MHLNGWWESPSZBY-UHFFFAOYSA-N 1 1 421.324 4.251 40 0 HIABMO CO[C@]1(Cn2cnc3ccccc32)CCC[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000057774467 568497442 /nfs/dbraw/zinc/49/74/42/568497442.db2.gz IINSXWHKRAMMLI-RUZDIDTESA-N 1 1 416.525 4.190 40 0 HIABMO O=C(NCCOc1ccc2ccccc2c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223637841 568554328 /nfs/dbraw/zinc/55/43/28/568554328.db2.gz VQMHFLQYPDCYHY-QFIPXVFZSA-N 1 1 406.501 4.386 40 0 HIABMO Cc1cc(C)cc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000224106321 568570216 /nfs/dbraw/zinc/57/02/16/568570216.db2.gz IFRSLRHOSALMLG-FQEVSTJZSA-N 1 1 400.950 4.364 40 0 HIABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000224560055 568585203 /nfs/dbraw/zinc/58/52/03/568585203.db2.gz OBXCVIRXUVLHAY-UHFFFAOYSA-N 1 1 400.478 4.348 40 0 HIABMO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224706265 568593326 /nfs/dbraw/zinc/59/33/26/568593326.db2.gz HENMQXKRGSDWGV-FNORWQNLSA-N 1 1 405.325 4.155 40 0 HIABMO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739395 568594549 /nfs/dbraw/zinc/59/45/49/568594549.db2.gz YABYTMHBUVTIBS-DEOSSOPVSA-N 1 1 418.537 4.146 40 0 HIABMO COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000225450546 568638903 /nfs/dbraw/zinc/63/89/03/568638903.db2.gz FROGHRCRARAHTH-UHFFFAOYSA-N 1 1 414.918 4.107 40 0 HIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225451465 568639036 /nfs/dbraw/zinc/63/90/36/568639036.db2.gz APHZIIOBMHUYAM-UHFFFAOYSA-N 1 1 419.554 4.103 40 0 HIABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCN(c2ccccc2)CC1 ZINC000225575992 568653322 /nfs/dbraw/zinc/65/33/22/568653322.db2.gz SMWMGNJIFJDFKG-UHFFFAOYSA-N 1 1 415.940 4.040 40 0 HIABMO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225575764 568653336 /nfs/dbraw/zinc/65/33/36/568653336.db2.gz YJMGTABSQCTWBH-UHFFFAOYSA-N 1 1 404.869 4.116 40 0 HIABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1cnn(Cc2ccccc2)c1 ZINC000225889206 568683722 /nfs/dbraw/zinc/68/37/22/568683722.db2.gz SPIGDEAJSAONOV-UHFFFAOYSA-N 1 1 419.916 4.365 40 0 HIABMO Cc1cccnc1C(=O)N1[C@@H]2CCCC[C@@H]3[N@@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257224215 568783358 /nfs/dbraw/zinc/78/33/58/568783358.db2.gz FAUBAODHVUPWFF-ULKMUXEJSA-N 1 1 403.570 4.479 40 0 HIABMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2OCc2ccccc2)CC[C@@H]1O ZINC000257226529 568783971 /nfs/dbraw/zinc/78/39/71/568783971.db2.gz FLABXCGPQFTVFU-ZEQRLZLVSA-N 1 1 424.585 4.025 40 0 HIABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257235799 568786273 /nfs/dbraw/zinc/78/62/73/568786273.db2.gz GZNGCFIXWQEVSA-RUZDIDTESA-N 1 1 407.558 4.025 40 0 HIABMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c1 ZINC000257277965 568797894 /nfs/dbraw/zinc/79/78/94/568797894.db2.gz OADZVYMFWFXSKT-UKILVPOCSA-N 1 1 408.542 4.082 40 0 HIABMO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c1 ZINC000257277965 568797896 /nfs/dbraw/zinc/79/78/96/568797896.db2.gz OADZVYMFWFXSKT-UKILVPOCSA-N 1 1 408.542 4.082 40 0 HIABMO COc1ncccc1C(=O)N1[C@@H]2CCCC[C@@H]3[N@@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257286988 568800740 /nfs/dbraw/zinc/80/07/40/568800740.db2.gz PNYOZZBTBWANKX-ULKMUXEJSA-N 1 1 419.569 4.179 40 0 HIABMO CN1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306130589 568892990 /nfs/dbraw/zinc/89/29/90/568892990.db2.gz JKHCHKSFKYQPRE-QHCPKHFHSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306130589 568892992 /nfs/dbraw/zinc/89/29/92/568892992.db2.gz JKHCHKSFKYQPRE-QHCPKHFHSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CCN(Cc2ccc(F)cc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306130589 568892993 /nfs/dbraw/zinc/89/29/93/568892993.db2.gz JKHCHKSFKYQPRE-QHCPKHFHSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CC[N@H+](Cc2ccc(F)cc2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306139918 568901647 /nfs/dbraw/zinc/90/16/47/568901647.db2.gz UDVRIPCQFZYQAP-HSZRJFAPSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306139918 568901648 /nfs/dbraw/zinc/90/16/48/568901648.db2.gz UDVRIPCQFZYQAP-HSZRJFAPSA-N 1 1 401.489 4.024 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000306144627 568906128 /nfs/dbraw/zinc/90/61/28/568906128.db2.gz ZKJFJXVTUWJDOA-WIOPSUGQSA-N 1 1 424.589 4.089 40 0 HIABMO O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198810 569058922 /nfs/dbraw/zinc/05/89/22/569058922.db2.gz JATBDXCMEJWEEG-GKJHBJHPSA-N 1 1 408.571 4.173 40 0 HIABMO O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198810 569058923 /nfs/dbraw/zinc/05/89/23/569058923.db2.gz JATBDXCMEJWEEG-GKJHBJHPSA-N 1 1 408.571 4.173 40 0 HIABMO O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198810 569058924 /nfs/dbraw/zinc/05/89/24/569058924.db2.gz JATBDXCMEJWEEG-GKJHBJHPSA-N 1 1 408.571 4.173 40 0 HIABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 ZINC000253602666 569318428 /nfs/dbraw/zinc/31/84/28/569318428.db2.gz QJSFELWRKPQBHH-BOCKYXSRSA-N 1 1 405.542 4.020 40 0 HIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3cccc(C)c3)C2)[N@H+](C)C1 ZINC000019234970 569345294 /nfs/dbraw/zinc/34/52/94/569345294.db2.gz NVOOLVRPFINNGN-AKFKNWHVSA-N 1 1 421.585 4.175 40 0 HIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3cccc(C)c3)C2)[N@@H+](C)C1 ZINC000019234970 569345295 /nfs/dbraw/zinc/34/52/95/569345295.db2.gz NVOOLVRPFINNGN-AKFKNWHVSA-N 1 1 421.585 4.175 40 0 HIABMO C[C@H](C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000019456113 569345406 /nfs/dbraw/zinc/34/54/06/569345406.db2.gz AOUGWCHXBKCHMN-QFZWGZQFSA-N 1 1 414.553 4.463 40 0 HIABMO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@H+]2Cc2cnn(C3CCCCC3)c2)cc1 ZINC000019713922 569348499 /nfs/dbraw/zinc/34/84/99/569348499.db2.gz MTDJAMBRXLNPCF-RBZQAINGSA-N 1 1 422.573 4.381 40 0 HIABMO Cc1nc([C@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1CCOc1ccccc1F ZINC000019738676 569348518 /nfs/dbraw/zinc/34/85/18/569348518.db2.gz NILUFVWLXXJQPL-QFIPXVFZSA-N 1 1 404.551 4.296 40 0 HIABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc1C ZINC000019766136 569349034 /nfs/dbraw/zinc/34/90/34/569349034.db2.gz VRXCCHDLIGCOIX-GOSISDBHSA-N 1 1 420.488 4.175 40 0 HIABMO COc1ccccc1NC(=O)c1cnc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc1C ZINC000019766137 569349064 /nfs/dbraw/zinc/34/90/64/569349064.db2.gz VRXCCHDLIGCOIX-SFHVURJKSA-N 1 1 420.488 4.175 40 0 HIABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)C2 ZINC000328983166 571310603 /nfs/dbraw/zinc/31/06/03/571310603.db2.gz HEKGRXIPSDQTOE-QGZVFWFLSA-N 1 1 400.526 4.582 40 0 HIABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(-c4ccccn4)cc3)n2)c1 ZINC000015674418 291268102 /nfs/dbraw/zinc/26/81/02/291268102.db2.gz DZFMIESGMVEBCX-GGAORHGYSA-N 1 1 412.493 4.415 40 0 biogenic,in-vitro HIABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(-c4ccccn4)cc3)n2)c1 ZINC000015674418 291268104 /nfs/dbraw/zinc/26/81/04/291268104.db2.gz DZFMIESGMVEBCX-GGAORHGYSA-N 1 1 412.493 4.415 40 0 biogenic,in-vitro HIABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674949 291270740 /nfs/dbraw/zinc/27/07/40/291270740.db2.gz XXJYBOOAAXUVKJ-IRLDBZIGSA-N 1 1 416.456 4.246 40 0 biogenic,in-vitro HIABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674949 291270743 /nfs/dbraw/zinc/27/07/43/291270743.db2.gz XXJYBOOAAXUVKJ-IRLDBZIGSA-N 1 1 416.456 4.246 40 0 biogenic,in-vitro HIABMO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)c(=O)[nH]c12 ZINC000000889315 557112067 /nfs/dbraw/zinc/11/20/67/557112067.db2.gz OOPPRDNINARMIQ-JOCHJYFZSA-N 1 1 420.561 4.294 40 0 HIABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743191 558263598 /nfs/dbraw/zinc/26/35/98/558263598.db2.gz WCHAJEGFUBLJIH-NRFANRHFSA-N 1 1 408.521 4.483 40 0 HIABMO CC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2c(C)n(C)c3cc(C)ccc32)C1 ZINC000012088837 558323428 /nfs/dbraw/zinc/32/34/28/558323428.db2.gz QBZGFEZFIAQUHO-AVRDEDQJSA-N 1 1 410.587 4.341 40 0 HIABMO COc1ccc(C[N@H+](Cc2cn(C)c3ccccc23)C[C@H]2CCCO2)c(OC)c1OC ZINC000012118233 558329613 /nfs/dbraw/zinc/32/96/13/558329613.db2.gz LVJFCRQXXTVITP-HXUWFJFHSA-N 1 1 424.541 4.385 40 0 HIABMO COc1ccc(C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]2CCCO2)cc1OC ZINC000012187358 558346267 /nfs/dbraw/zinc/34/62/67/558346267.db2.gz MYYQVVQDUQPAPC-QFIPXVFZSA-N 1 1 407.514 4.071 40 0 HIABMO COc1ccc(C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]2CCCO2)cc1OC ZINC000012187358 558346269 /nfs/dbraw/zinc/34/62/69/558346269.db2.gz MYYQVVQDUQPAPC-QFIPXVFZSA-N 1 1 407.514 4.071 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187254 558346299 /nfs/dbraw/zinc/34/62/99/558346299.db2.gz AUGWHMRFALREIY-QHCPKHFHSA-N 1 1 424.541 4.012 40 0 HIABMO CSc1ccc(C[N@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000012667173 558445391 /nfs/dbraw/zinc/44/53/91/558445391.db2.gz CAJFWJZSELAIHS-UHFFFAOYSA-N 1 1 406.511 4.284 40 0 HIABMO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014205194 558637601 /nfs/dbraw/zinc/63/76/01/558637601.db2.gz WMGQGEIFDVKFBB-UHFFFAOYSA-N 1 1 409.917 4.272 40 0 HIABMO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039757174 558688073 /nfs/dbraw/zinc/68/80/73/558688073.db2.gz SRJNBRBJAJGIHE-NRFANRHFSA-N 1 1 406.014 4.323 40 0 HIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039757174 558688077 /nfs/dbraw/zinc/68/80/77/558688077.db2.gz SRJNBRBJAJGIHE-NRFANRHFSA-N 1 1 406.014 4.323 40 0 HIABMO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030939052 558745108 /nfs/dbraw/zinc/74/51/08/558745108.db2.gz ZSYPPYZNQREULR-MRXNPFEDSA-N 1 1 404.869 4.116 40 0 HIABMO C[N@@H+](CC[C@H]1c2ccccc2COc2ccccc21)C[C@@H](O)COc1ccccc1 ZINC000031297691 558749319 /nfs/dbraw/zinc/74/93/19/558749319.db2.gz SZQLTQPHXXXMNC-QPPBQGQZSA-N 1 1 403.522 4.473 40 0 in-man HIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)NCC1(c2ccc(C)cc2)CCOCC1 ZINC000019208750 558847708 /nfs/dbraw/zinc/84/77/08/558847708.db2.gz WCDAIGJSVJWNCT-UHFFFAOYSA-N 1 1 403.526 4.026 40 0 HIABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1Cn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000019219874 558851484 /nfs/dbraw/zinc/85/14/84/558851484.db2.gz JVLODTFUUBFJCD-QGZVFWFLSA-N 1 1 418.463 4.035 40 0 HIABMO Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)c1 ZINC000019234412 558853764 /nfs/dbraw/zinc/85/37/64/558853764.db2.gz OTEIEXNIOOWHHK-JOCHJYFZSA-N 1 1 420.557 4.159 40 0 HIABMO Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(c3[nH+]cccc3C)CC2)on1 ZINC000019237823 558856983 /nfs/dbraw/zinc/85/69/83/558856983.db2.gz GXOXLQPMYHNENE-UHFFFAOYSA-N 1 1 404.518 4.128 40 0 HIABMO O=c1cc([C@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292843 558864531 /nfs/dbraw/zinc/86/45/31/558864531.db2.gz OIDYERNPYHYWPE-HNNXBMFYSA-N 1 1 401.297 4.128 40 0 HIABMO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]21 ZINC000019332155 558868762 /nfs/dbraw/zinc/86/87/62/558868762.db2.gz QSAWTPUDHNDJSB-VABKMULXSA-N 1 1 421.541 4.413 40 0 HIABMO Clc1cccc2ccc(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)nc12 ZINC000019347259 558873798 /nfs/dbraw/zinc/87/37/98/558873798.db2.gz IKVZKVNUSIEHDV-UHFFFAOYSA-N 1 1 410.949 4.008 40 0 HIABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC000019347730 558873991 /nfs/dbraw/zinc/87/39/91/558873991.db2.gz MPCADZPLFSKJQG-MQSCRBSSSA-N 1 1 421.541 4.413 40 0 HIABMO NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000019348790 558874550 /nfs/dbraw/zinc/87/45/50/558874550.db2.gz XYQRVAKFGREIRQ-XMMPIXPASA-N 1 1 405.929 4.322 40 0 HIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3OC3CCCC3)C[C@H]2c2cccnc2)N1 ZINC000019349459 558875128 /nfs/dbraw/zinc/87/51/28/558875128.db2.gz VCXDBEOZEDMDAN-JYFHCDHNSA-N 1 1 419.569 4.431 40 0 HIABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC000019369016 558877734 /nfs/dbraw/zinc/87/77/34/558877734.db2.gz FFKFLDGAIUBTQA-VABKMULXSA-N 1 1 403.551 4.273 40 0 HIABMO O=C(c1cc2ccccc2o1)N1CCC(O)(C[N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC000019376264 558882380 /nfs/dbraw/zinc/88/23/80/558882380.db2.gz VSYJPGFZOHFPBN-NRFANRHFSA-N 1 1 419.525 4.022 40 0 HIABMO C[C@@H]1CCC[N@@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000019496621 558895517 /nfs/dbraw/zinc/89/55/17/558895517.db2.gz CKLCCRPCZZBULQ-MRXNPFEDSA-N 1 1 405.498 4.148 40 0 HIABMO C[C@@H]1CCC[N@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000019496621 558895520 /nfs/dbraw/zinc/89/55/20/558895520.db2.gz CKLCCRPCZZBULQ-MRXNPFEDSA-N 1 1 405.498 4.148 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502944 558900403 /nfs/dbraw/zinc/90/04/03/558900403.db2.gz GKNVNRGOJZBEDA-RUZDIDTESA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503356 558900478 /nfs/dbraw/zinc/90/04/78/558900478.db2.gz BFCIBOLFEWQZQS-DEOSSOPVSA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503281 558900596 /nfs/dbraw/zinc/90/05/96/558900596.db2.gz MOJZLJGHVABVFP-XMMPIXPASA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503277 558900660 /nfs/dbraw/zinc/90/06/60/558900660.db2.gz ZRQIYBFMLMDYEE-XMMPIXPASA-N 1 1 414.553 4.057 40 0 HIABMO CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019529182 558910916 /nfs/dbraw/zinc/91/09/16/558910916.db2.gz WBHYTBPPBLLGDX-AREMUKBSSA-N 1 1 417.528 4.459 40 0 HIABMO Cc1nc(-c2nc(NCCC[NH+]3CCOCC3)ncc2-c2ccsc2)sc1C ZINC000019560964 558922018 /nfs/dbraw/zinc/92/20/18/558922018.db2.gz MXMPKDKKTLMTSF-UHFFFAOYSA-N 1 1 415.588 4.080 40 0 HIABMO C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2O1 ZINC000072330572 558935222 /nfs/dbraw/zinc/93/52/22/558935222.db2.gz WSBUQQOHDOYUOG-QLWBXOBMSA-N 1 1 419.569 4.275 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019580311 558935781 /nfs/dbraw/zinc/93/57/81/558935781.db2.gz RBIYQWZBDZNERI-SANMLTNESA-N 1 1 417.528 4.411 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019580353 558936049 /nfs/dbraw/zinc/93/60/49/558936049.db2.gz SUTFSIPGUQCCQL-SANMLTNESA-N 1 1 417.528 4.411 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(OC)cc3)C2)cc1 ZINC000072345907 558942510 /nfs/dbraw/zinc/94/25/10/558942510.db2.gz OUMHJWHWOGXBCG-LJQANCHMSA-N 1 1 404.514 4.123 40 0 HIABMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)N1CCCc2ccccc21 ZINC000072353013 558949613 /nfs/dbraw/zinc/94/96/13/558949613.db2.gz FIBIGNAECSTYOU-QHCPKHFHSA-N 1 1 413.525 4.337 40 0 HIABMO O=C(C[N@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)N1CCCc2ccccc21 ZINC000072353013 558949615 /nfs/dbraw/zinc/94/96/15/558949615.db2.gz FIBIGNAECSTYOU-QHCPKHFHSA-N 1 1 413.525 4.337 40 0 HIABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072355007 558952273 /nfs/dbraw/zinc/95/22/73/558952273.db2.gz RQQDHZHWOCESOP-KRWDZBQOSA-N 1 1 422.916 4.386 40 0 HIABMO O=C(CCCc1ccccc1)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355230 558952589 /nfs/dbraw/zinc/95/25/89/558952589.db2.gz DEWHEIRWLNDDOQ-HSZRJFAPSA-N 1 1 405.586 4.350 40 0 HIABMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1)N1CCCC1 ZINC000072357656 558953473 /nfs/dbraw/zinc/95/34/73/558953473.db2.gz GTBRNWKESMQQOU-OAQYLSRUSA-N 1 1 417.475 4.451 40 0 HIABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1)N1CCCC1 ZINC000072357656 558953476 /nfs/dbraw/zinc/95/34/76/558953476.db2.gz GTBRNWKESMQQOU-OAQYLSRUSA-N 1 1 417.475 4.451 40 0 HIABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359386 558954960 /nfs/dbraw/zinc/95/49/60/558954960.db2.gz PXUHCSWKXRWRKT-QGZVFWFLSA-N 1 1 420.479 4.210 40 0 HIABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359385 558954981 /nfs/dbraw/zinc/95/49/81/558954981.db2.gz PXUHCSWKXRWRKT-KRWDZBQOSA-N 1 1 420.479 4.210 40 0 HIABMO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccc5cc(OC)ccc5n4)C3)n2)c1 ZINC000072369904 558956148 /nfs/dbraw/zinc/95/61/48/558956148.db2.gz FYVVFRXBMICTMZ-SFHVURJKSA-N 1 1 416.481 4.292 40 0 HIABMO Cc1c(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019687410 558957359 /nfs/dbraw/zinc/95/73/59/558957359.db2.gz KRZZFICQWBJQKA-FQEVSTJZSA-N 1 1 410.953 4.242 40 0 HIABMO Cc1cnc(NC(=O)C2(Cc3cccc([C@@H]4CCC[N@H+](C)C4)c3)CCOCC2)s1 ZINC000072372241 558959523 /nfs/dbraw/zinc/95/95/23/558959523.db2.gz IICZVUDGNVFSDL-HXUWFJFHSA-N 1 1 413.587 4.239 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 ZINC000019694069 558962354 /nfs/dbraw/zinc/96/23/54/558962354.db2.gz SVQAVONDFYBCSF-GOSISDBHSA-N 1 1 424.980 4.285 40 0 HIABMO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@@H+]2Cc2oc3ccccc3c2C)n1 ZINC000019709755 558971763 /nfs/dbraw/zinc/97/17/63/558971763.db2.gz OVPLJMMZBPBGJA-FQEVSTJZSA-N 1 1 421.545 4.278 40 0 HIABMO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@H+]2Cc2oc3ccccc3c2C)n1 ZINC000019709755 558971767 /nfs/dbraw/zinc/97/17/67/558971767.db2.gz OVPLJMMZBPBGJA-FQEVSTJZSA-N 1 1 421.545 4.278 40 0 HIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000072398660 558976313 /nfs/dbraw/zinc/97/63/13/558976313.db2.gz ABPCOEQLDUNCQV-JPYJTQIMSA-N 1 1 422.479 4.138 40 0 HIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000072398660 558976316 /nfs/dbraw/zinc/97/63/16/558976316.db2.gz ABPCOEQLDUNCQV-JPYJTQIMSA-N 1 1 422.479 4.138 40 0 HIABMO CC(C)c1snnc1C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100427 559024024 /nfs/dbraw/zinc/02/40/24/559024024.db2.gz WEHXWTYUYBDXCC-QFIPXVFZSA-N 1 1 416.566 4.462 40 0 HIABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@H+]4C[C@@H]4CCCO4)CC3)oc21 ZINC000585100857 559025506 /nfs/dbraw/zinc/02/55/06/559025506.db2.gz ZAXHYZFIEGOQGA-YADARESESA-N 1 1 412.530 4.081 40 0 HIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000585106802 559029140 /nfs/dbraw/zinc/02/91/40/559029140.db2.gz IKMPFNSBQCHFOK-DEOSSOPVSA-N 1 1 420.582 4.467 40 0 HIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3ccccc3)C2)C1 ZINC000585107038 559029349 /nfs/dbraw/zinc/02/93/49/559029349.db2.gz OUUROHBSPCIMAW-SANMLTNESA-N 1 1 414.553 4.406 40 0 HIABMO O=C1CO[C@]2(CN1c1ccc(F)cc1)CCC[N@@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000585261864 559109550 /nfs/dbraw/zinc/10/95/50/559109550.db2.gz ZPTADTNIOQUISO-XMMPIXPASA-N 1 1 407.489 4.095 40 0 HIABMO c1c(CCOc2ccccc2)n[nH]c1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000585260963 559110020 /nfs/dbraw/zinc/11/00/20/559110020.db2.gz PDUDREDMCHMTPC-VWLOTQADSA-N 1 1 414.509 4.153 40 0 HIABMO c1c(CCOc2ccccc2)n[nH]c1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000585260963 559110022 /nfs/dbraw/zinc/11/00/22/559110022.db2.gz PDUDREDMCHMTPC-VWLOTQADSA-N 1 1 414.509 4.153 40 0 HIABMO c1c(CCOc2ccccc2)n[nH]c1[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000585260965 559110071 /nfs/dbraw/zinc/11/00/71/559110071.db2.gz PVQVHDLEEQGYHG-VWLOTQADSA-N 1 1 414.509 4.153 40 0 HIABMO c1c(CCOc2ccccc2)n[nH]c1[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000585260965 559110073 /nfs/dbraw/zinc/11/00/73/559110073.db2.gz PVQVHDLEEQGYHG-VWLOTQADSA-N 1 1 414.509 4.153 40 0 HIABMO CC[C@H](C)C[N@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270535 559116353 /nfs/dbraw/zinc/11/63/53/559116353.db2.gz ZBRNOIREPPJJRK-CVDCTZTESA-N 1 1 422.997 4.239 40 0 HIABMO Cc1ncsc1C[N@H+]1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290678 559123297 /nfs/dbraw/zinc/12/32/97/559123297.db2.gz SSSXTPJEHNEJBM-ZDUSSCGKSA-N 1 1 409.437 4.295 40 0 HIABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216487 559169523 /nfs/dbraw/zinc/16/95/23/559169523.db2.gz YSIUVKQKZLWYFZ-FQEVSTJZSA-N 1 1 402.583 4.466 40 0 HIABMO C[N@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCc4cccc(F)c4)CCOCC3)c2)C1 ZINC000072372243 559186323 /nfs/dbraw/zinc/18/63/23/559186323.db2.gz BCVWODJOYBECBP-QHCPKHFHSA-N 1 1 424.560 4.291 40 0 HIABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(OC)c2)cc1 ZINC000072376773 559186551 /nfs/dbraw/zinc/18/65/51/559186551.db2.gz YBMUWGSQALLCSL-JOCHJYFZSA-N 1 1 404.514 4.470 40 0 HIABMO Nc1ncc(-c2ccccc2)c([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376851 559186569 /nfs/dbraw/zinc/18/65/69/559186569.db2.gz AWUYUNBKTAMCDX-FQEVSTJZSA-N 1 1 405.477 4.031 40 0 HIABMO Nc1ncc(-c2ccccc2)c([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376851 559186571 /nfs/dbraw/zinc/18/65/71/559186571.db2.gz AWUYUNBKTAMCDX-FQEVSTJZSA-N 1 1 405.477 4.031 40 0 HIABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cccs2)CC[C@@]1(C)O ZINC000514289769 560031934 /nfs/dbraw/zinc/03/19/34/560031934.db2.gz DZQVMIQOGNUCGW-IRFCIJBXSA-N 1 1 406.617 4.429 40 0 biogenic,in-vitro HIABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cccs2)CC[C@@]1(C)O ZINC000514289769 560031936 /nfs/dbraw/zinc/03/19/36/560031936.db2.gz DZQVMIQOGNUCGW-IRFCIJBXSA-N 1 1 406.617 4.429 40 0 biogenic,in-vitro HIABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2N(C)C3=O)c1 ZINC000514289346 560032957 /nfs/dbraw/zinc/03/29/57/560032957.db2.gz ISJWZQHKXCJZKA-GGAORHGYSA-N 1 1 408.542 4.316 40 0 biogenic,in-vitro HIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[NH+]3CCCCCC3)cc2c1 ZINC000000908639 560545783 /nfs/dbraw/zinc/54/57/83/560545783.db2.gz XEEDXIZCRJPGLM-NRFANRHFSA-N 1 1 422.577 4.188 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161826 560601988 /nfs/dbraw/zinc/60/19/88/560601988.db2.gz UXDRRDKIULXXGO-YCRPNKLZSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161826 560601990 /nfs/dbraw/zinc/60/19/90/560601990.db2.gz UXDRRDKIULXXGO-YCRPNKLZSA-N 1 1 422.577 4.098 40 0 HIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231323 560603097 /nfs/dbraw/zinc/60/30/97/560603097.db2.gz OOUIQNNPBHLLLJ-JOCHJYFZSA-N 1 1 418.541 4.355 40 0 HIABMO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1cccnc1 ZINC000006870196 560747661 /nfs/dbraw/zinc/74/76/61/560747661.db2.gz SGOGFNPBYVBYOP-UHFFFAOYSA-N 1 1 400.114 4.295 40 0 HIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012710971 560786305 /nfs/dbraw/zinc/78/63/05/560786305.db2.gz ZQUGWXFXTRMFPU-IERDGZPVSA-N 1 1 422.577 4.043 40 0 HIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012710971 560786306 /nfs/dbraw/zinc/78/63/06/560786306.db2.gz ZQUGWXFXTRMFPU-IERDGZPVSA-N 1 1 422.577 4.043 40 0 HIABMO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2Cl)CC1 ZINC000017088374 560863393 /nfs/dbraw/zinc/86/33/93/560863393.db2.gz GEZWDLYALOFCNU-UHFFFAOYSA-N 1 1 409.917 4.263 40 0 HIABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)OCCO2 ZINC000222732683 568525045 /nfs/dbraw/zinc/52/50/45/568525045.db2.gz GWRWFYIAYFQKHY-QFBILLFUSA-N 1 1 414.933 4.201 40 0 HIABMO COc1cccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000223415719 568548117 /nfs/dbraw/zinc/54/81/17/568548117.db2.gz JCTJRUCDICCEPS-UHFFFAOYSA-N 1 1 416.521 4.062 40 0 HIABMO COc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000223415796 568548122 /nfs/dbraw/zinc/54/81/22/568548122.db2.gz XBVFBKWBFWGVSJ-UHFFFAOYSA-N 1 1 416.521 4.062 40 0 HIABMO Cc1cc(C)cc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000224106267 568570209 /nfs/dbraw/zinc/57/02/09/568570209.db2.gz IFRSLRHOSALMLG-HXUWFJFHSA-N 1 1 400.950 4.364 40 0 HIABMO COc1cc(C)c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C(C)C ZINC000225321213 568629513 /nfs/dbraw/zinc/62/95/13/568629513.db2.gz DFGWHNPENLEBKG-UHFFFAOYSA-N 1 1 413.543 4.100 40 0 HIABMO CCOC(=O)c1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)c(C)c1 ZINC000225450870 568638932 /nfs/dbraw/zinc/63/89/32/568638932.db2.gz QSGMYXOBKCRSOH-UHFFFAOYSA-N 1 1 408.527 4.152 40 0 HIABMO COC(=O)c1cc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)ccc1Cl ZINC000225450493 568638987 /nfs/dbraw/zinc/63/89/87/568638987.db2.gz AAUGCHPFSBRFQT-UHFFFAOYSA-N 1 1 414.918 4.107 40 0 HIABMO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257204250 568777317 /nfs/dbraw/zinc/77/73/17/568777317.db2.gz ATRXGRJBFPRMSW-RCZVLFRGSA-N 1 1 408.542 4.082 40 0 HIABMO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257204250 568777319 /nfs/dbraw/zinc/77/73/19/568777319.db2.gz ATRXGRJBFPRMSW-RCZVLFRGSA-N 1 1 408.542 4.082 40 0 HIABMO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)c2ccc(F)cc21 ZINC000257217110 568781051 /nfs/dbraw/zinc/78/10/51/568781051.db2.gz CXMXDIMQBNIDHJ-XMMPIXPASA-N 1 1 419.504 4.169 40 0 HIABMO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)c2ccc(F)cc21 ZINC000257217110 568781052 /nfs/dbraw/zinc/78/10/52/568781052.db2.gz CXMXDIMQBNIDHJ-XMMPIXPASA-N 1 1 419.504 4.169 40 0 HIABMO Cc1cccnc1Nc1cccc(C2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000257224996 568783337 /nfs/dbraw/zinc/78/33/37/568783337.db2.gz FEKCBSSSDXGHDE-LJQANCHMSA-N 1 1 407.562 4.109 40 0 HIABMO Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)s1 ZINC000257227987 568784349 /nfs/dbraw/zinc/78/43/49/568784349.db2.gz FRWLSGVUPGONSD-NABGWTBKSA-N 1 1 409.599 4.459 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257240644 568787688 /nfs/dbraw/zinc/78/76/88/568787688.db2.gz HUMMHQFUZCZMOK-LJQANCHMSA-N 1 1 412.921 4.432 40 0 HIABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]2Cc1ccccc1 ZINC000257268009 568794987 /nfs/dbraw/zinc/79/49/87/568794987.db2.gz MJWGVVBVCLEZST-OZOJTDJHSA-N 1 1 420.601 4.406 40 0 HIABMO Oc1cccc2c1OC1(CC[NH+](Cc3ccc(Cl)cn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257288434 568801022 /nfs/dbraw/zinc/80/10/22/568801022.db2.gz PUEDHWIMZPOXJW-AZUAARDMSA-N 1 1 400.906 4.336 40 0 HIABMO c1csc(C[N@@H+]2CC[C@@]3(C2)CO[C@@H](c2ccccc2)CN3Cc2ccccn2)c1 ZINC000306140615 568902236 /nfs/dbraw/zinc/90/22/36/568902236.db2.gz UYYUSEUTXQTNPQ-DNQXCXABSA-N 1 1 405.567 4.361 40 0 HIABMO Cc1sc(-n2cccc2)nc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198667 569058948 /nfs/dbraw/zinc/05/89/48/569058948.db2.gz FRKDBYDVVFSDHF-GPQLQYNLSA-N 1 1 422.598 4.277 40 0 HIABMO O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198811 569058952 /nfs/dbraw/zinc/05/89/52/569058952.db2.gz JATBDXCMEJWEEG-KKXYHZGYSA-N 1 1 408.571 4.173 40 0 HIABMO O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198811 569058953 /nfs/dbraw/zinc/05/89/53/569058953.db2.gz JATBDXCMEJWEEG-KKXYHZGYSA-N 1 1 408.571 4.173 40 0 HIABMO O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198811 569058954 /nfs/dbraw/zinc/05/89/54/569058954.db2.gz JATBDXCMEJWEEG-KKXYHZGYSA-N 1 1 408.571 4.173 40 0 HIABMO COc1ccc2c(ccn2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c1 ZINC000257199101 569059066 /nfs/dbraw/zinc/05/90/66/569059066.db2.gz SFHCSZLHAMASRL-HPJLMOCUSA-N 1 1 419.569 4.072 40 0 HIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3cccc(C)c3)C2)[N@H+](C)C1 ZINC000248133686 569316430 /nfs/dbraw/zinc/31/64/30/569316430.db2.gz NVOOLVRPFINNGN-WMTXJRDZSA-N 1 1 421.585 4.175 40 0 HIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3cccc(C)c3)C2)[N@@H+](C)C1 ZINC000248133686 569316431 /nfs/dbraw/zinc/31/64/31/569316431.db2.gz NVOOLVRPFINNGN-WMTXJRDZSA-N 1 1 421.585 4.175 40 0 HIABMO C[C@@H](C[N@H+]1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000248168849 569316645 /nfs/dbraw/zinc/31/66/45/569316645.db2.gz QLOGWAKAXKQCTO-RXFWQSSRSA-N 1 1 414.553 4.057 40 0 HIABMO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000009062656 569342128 /nfs/dbraw/zinc/34/21/28/569342128.db2.gz BUZMHRZCBKJMKN-RTBURBONSA-N 1 1 406.014 4.036 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)n1 ZINC000019236204 569345245 /nfs/dbraw/zinc/34/52/45/569345245.db2.gz MWVPOERFUCQGBG-BKMJKUGQSA-N 1 1 414.553 4.097 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C2CCCC2)c2ccccn2)C1 ZINC000019570216 569345758 /nfs/dbraw/zinc/34/57/58/569345758.db2.gz MPHKBFGYGUEKOQ-XUZZJYLKSA-N 1 1 407.558 4.350 40 0 HIABMO Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044852767 569351970 /nfs/dbraw/zinc/35/19/70/569351970.db2.gz KGMBMYVTTHILKW-ICSRJNTNSA-N 1 1 400.950 4.444 40 0 HIABMO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000044919824 521347738 /nfs/dbraw/zinc/34/77/38/521347738.db2.gz IZVVPOYZDPRWKT-UHFFFAOYSA-N 1 1 404.913 4.406 40 0 HIABMO COc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000044851794 523937593 /nfs/dbraw/zinc/93/75/93/523937593.db2.gz IQKCOZUJHRXSSI-IBGZPJMESA-N 1 1 410.558 4.298 40 0 HIABMO Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044852763 525435002 /nfs/dbraw/zinc/43/50/02/525435002.db2.gz KGMBMYVTTHILKW-AZUAARDMSA-N 1 1 400.950 4.444 40 0 HIABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)CC1 ZINC000408576075 557479253 /nfs/dbraw/zinc/47/92/53/557479253.db2.gz PNDATINFMPGRBX-UHFFFAOYSA-N 1 1 404.963 4.241 40 0 HIABMO O=C(c1ccc(Cl)nc1Cl)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000036569483 557849424 /nfs/dbraw/zinc/84/94/24/557849424.db2.gz JRJMZGVDWPHJIW-LORHWOILSA-N 1 1 406.357 4.424 40 0 HIABMO COc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000012116793 558328772 /nfs/dbraw/zinc/32/87/72/558328772.db2.gz XJBJKJDTZXPZJQ-OAQYLSRUSA-N 1 1 407.514 4.275 40 0 HIABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000012119267 558330141 /nfs/dbraw/zinc/33/01/41/558330141.db2.gz QOFZDZAWONFNHJ-LJQANCHMSA-N 1 1 402.498 4.046 40 0 HIABMO Cc1cccc(N2CCN(C(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)CC2)c1C ZINC000020104169 558332831 /nfs/dbraw/zinc/33/28/31/558332831.db2.gz CGFKVPKANMHUDZ-HXUWFJFHSA-N 1 1 405.586 4.498 40 0 HIABMO COc1ccc(-c2ccc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)cc2)cc1 ZINC000012185626 558344936 /nfs/dbraw/zinc/34/49/36/558344936.db2.gz MXHWQFJUKRSICD-GOSISDBHSA-N 1 1 405.494 4.474 40 0 HIABMO COc1ccc(NC(=O)C[NH+]2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)cc1OC ZINC000012187938 558346781 /nfs/dbraw/zinc/34/67/81/558346781.db2.gz NUNGUFBNFUJGBP-UHFFFAOYSA-N 1 1 422.525 4.200 40 0 HIABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000012330111 558385098 /nfs/dbraw/zinc/38/50/98/558385098.db2.gz UQIAXZRLZAPTQX-WWPOYFSUSA-N 1 1 402.498 4.146 40 0 HIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039765994 558685833 /nfs/dbraw/zinc/68/58/33/558685833.db2.gz IGEXRNWKHLYJRX-IBGZPJMESA-N 1 1 424.004 4.462 40 0 HIABMO O=C(NCCSCc1ccco1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039758474 558689395 /nfs/dbraw/zinc/68/93/95/558689395.db2.gz HRTCDVABWZCZDP-UHFFFAOYSA-N 1 1 410.942 4.334 40 0 HIABMO COc1ccc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OCc1ccccn1 ZINC000036751975 558802743 /nfs/dbraw/zinc/80/27/43/558802743.db2.gz VOPWUBMBBOMTSN-QHCPKHFHSA-N 1 1 403.526 4.158 40 0 HIABMO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000038831409 558816757 /nfs/dbraw/zinc/81/67/57/558816757.db2.gz TWWKGULXYLKDGO-UHFFFAOYSA-N 1 1 423.576 4.340 40 0 HIABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019081927 558839973 /nfs/dbraw/zinc/83/99/73/558839973.db2.gz GLEYODWIWYUORN-UTKZUKDTSA-N 1 1 401.501 4.475 40 0 HIABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019082026 558840026 /nfs/dbraw/zinc/84/00/26/558840026.db2.gz LWRUSKXJVJOYFE-OAQYLSRUSA-N 1 1 401.501 4.475 40 0 HIABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019133993 558845947 /nfs/dbraw/zinc/84/59/47/558845947.db2.gz SLWNWAFYIJVZJF-HXUWFJFHSA-N 1 1 417.557 4.301 40 0 HIABMO COc1cccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c1OC1CCCC1 ZINC000019216147 558850294 /nfs/dbraw/zinc/85/02/94/558850294.db2.gz OCWAAOYRZYWNQZ-BORKOYIJSA-N 1 1 422.569 4.450 40 0 HIABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019235969 558855157 /nfs/dbraw/zinc/85/51/57/558855157.db2.gz KGEIDOORYSNNFT-HXUWFJFHSA-N 1 1 417.557 4.301 40 0 HIABMO Cc1cccc(C[NH2+][C@H](Cc2ccccc2)c2cc(N(C)C)nc(-c3cccnc3)n2)n1 ZINC000019236343 558855459 /nfs/dbraw/zinc/85/54/59/558855459.db2.gz OCUWTHZPJMDVRY-HSZRJFAPSA-N 1 1 424.552 4.382 40 0 HIABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1F ZINC000019292722 558864498 /nfs/dbraw/zinc/86/44/98/558864498.db2.gz SOXWDZIRXNEAJQ-QGZVFWFLSA-N 1 1 424.499 4.125 40 0 HIABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292914 558864772 /nfs/dbraw/zinc/86/47/72/558864772.db2.gz JAHVJOUTFVWYTR-MRXNPFEDSA-N 1 1 403.473 4.395 40 0 HIABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292914 558864775 /nfs/dbraw/zinc/86/47/75/558864775.db2.gz JAHVJOUTFVWYTR-MRXNPFEDSA-N 1 1 403.473 4.395 40 0 HIABMO Fc1ccc(-c2ccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)cc2)cc1 ZINC000019338652 558870784 /nfs/dbraw/zinc/87/07/84/558870784.db2.gz JYKLIZLPJDLAPU-UHFFFAOYSA-N 1 1 405.517 4.222 40 0 HIABMO Fc1ccc(-c2ccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)cc2)cc1 ZINC000019338652 558870787 /nfs/dbraw/zinc/87/07/87/558870787.db2.gz JYKLIZLPJDLAPU-UHFFFAOYSA-N 1 1 405.517 4.222 40 0 HIABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]21 ZINC000019372288 558879585 /nfs/dbraw/zinc/87/95/85/558879585.db2.gz WXOIJIIRGDMJAO-VABKMULXSA-N 1 1 403.551 4.273 40 0 HIABMO O=C(c1ccncc1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000019404994 558884706 /nfs/dbraw/zinc/88/47/06/558884706.db2.gz RSDHDHLZBHUFPQ-NJDAHSKKSA-N 1 1 409.580 4.335 40 0 HIABMO CC(C)n1c(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)nc2ccccc21 ZINC000019454753 558891503 /nfs/dbraw/zinc/89/15/03/558891503.db2.gz OAKKZPUGEBTGSX-UQBPGWFLSA-N 1 1 417.557 4.041 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502845 558900119 /nfs/dbraw/zinc/90/01/19/558900119.db2.gz AKONHJNUXMJXGM-VWLOTQADSA-N 1 1 414.553 4.057 40 0 HIABMO COc1ccc(OC)c([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccs2)c1 ZINC000019552636 558916000 /nfs/dbraw/zinc/91/60/00/558916000.db2.gz YBIMKONMZDJJSP-LEWJYISDSA-N 1 1 422.550 4.163 40 0 HIABMO COc1ccc2nc(C[N@H+]3CCC[C@@H](c4nnc(-c5scnc5C)o4)C3)ccc2c1 ZINC000019562783 558923297 /nfs/dbraw/zinc/92/32/97/558923297.db2.gz GAOFFIRGSUMWDP-MRXNPFEDSA-N 1 1 421.526 4.438 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc(C(=O)Nc3ccccc3OC)on2)C1 ZINC000019570320 558929315 /nfs/dbraw/zinc/92/93/15/558929315.db2.gz CCMPNJXFOSSVIW-KRWDZBQOSA-N 1 1 421.497 4.324 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc(C(=O)NCc3cccc(F)c3)on2)C1 ZINC000019570306 558929346 /nfs/dbraw/zinc/92/93/46/558929346.db2.gz DWCZWNPJNAPJCU-SFHVURJKSA-N 1 1 423.488 4.132 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c(C)c1C ZINC000019577361 558933119 /nfs/dbraw/zinc/93/31/19/558933119.db2.gz MLPWOQZMYHRBSS-MRXNPFEDSA-N 1 1 401.461 4.067 40 0 HIABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 ZINC000019577461 558933246 /nfs/dbraw/zinc/93/32/46/558933246.db2.gz XMOFEAGSMVCUAW-QGZVFWFLSA-N 1 1 411.575 4.272 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019580441 558935996 /nfs/dbraw/zinc/93/59/96/558935996.db2.gz GBWRPYYAFQUIMU-XMMPIXPASA-N 1 1 405.567 4.333 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)c1 ZINC000072340870 558939351 /nfs/dbraw/zinc/93/93/51/558939351.db2.gz IUOCMFMMJZJORJ-MRXNPFEDSA-N 1 1 404.436 4.445 40 0 HIABMO COc1cc(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000019595062 558945898 /nfs/dbraw/zinc/94/58/98/558945898.db2.gz LUJCZWCLMTUYML-LOSJGSFVSA-N 1 1 422.500 4.423 40 0 HIABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1cccnc1NC ZINC000072370486 558956847 /nfs/dbraw/zinc/95/68/47/558956847.db2.gz TVARJJHKQSOLMM-KRWDZBQOSA-N 1 1 408.571 4.295 40 0 HIABMO Cc1ccn(CCC(=O)N2CCC[C@H]2c2cc(Nc3ncccc3C)cc(C)[nH+]2)n1 ZINC000072372574 558960127 /nfs/dbraw/zinc/96/01/27/558960127.db2.gz PZHAJYFUCLYEQI-NRFANRHFSA-N 1 1 404.518 4.096 40 0 HIABMO Cc1ncsc1C(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372586 558960175 /nfs/dbraw/zinc/96/01/75/558960175.db2.gz QVHPCZOXAZGSQS-SFHVURJKSA-N 1 1 408.531 4.283 40 0 HIABMO CCn1cc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cn1 ZINC000019694632 558963341 /nfs/dbraw/zinc/96/33/41/558963341.db2.gz LYCOJLVQYHNQEK-NRFANRHFSA-N 1 1 408.525 4.292 40 0 HIABMO CCn1cc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cn1 ZINC000019694632 558963345 /nfs/dbraw/zinc/96/33/45/558963345.db2.gz LYCOJLVQYHNQEK-NRFANRHFSA-N 1 1 408.525 4.292 40 0 HIABMO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)cn1 ZINC000072376647 558965926 /nfs/dbraw/zinc/96/59/26/558965926.db2.gz LMHDFZGDMOYCNS-JOCHJYFZSA-N 1 1 420.561 4.162 40 0 HIABMO CCn1cc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)cn1 ZINC000072376647 558965927 /nfs/dbraw/zinc/96/59/27/558965927.db2.gz LMHDFZGDMOYCNS-JOCHJYFZSA-N 1 1 420.561 4.162 40 0 HIABMO CCc1ncc(C[N@@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072377237 558966538 /nfs/dbraw/zinc/96/65/38/558966538.db2.gz LITVDLFGKWRTFM-LJQANCHMSA-N 1 1 408.937 4.459 40 0 HIABMO CCc1ncc(C[N@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072377237 558966540 /nfs/dbraw/zinc/96/65/40/558966540.db2.gz LITVDLFGKWRTFM-LJQANCHMSA-N 1 1 408.937 4.459 40 0 HIABMO CCc1ncc(C[N@H+]2CCC[C@H](Cc3cc(Nc4ncc(C)s4)nc(C)n3)C2)cn1 ZINC000072383464 558969180 /nfs/dbraw/zinc/96/91/80/558969180.db2.gz GSOOVZVBWJUDTL-QGZVFWFLSA-N 1 1 423.590 4.101 40 0 HIABMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)c(OC)c1 ZINC000072390717 558970985 /nfs/dbraw/zinc/97/09/85/558970985.db2.gz PNXGGQCPOQJIAP-FQEVSTJZSA-N 1 1 408.502 4.411 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)c(OC)c1 ZINC000072390717 558970986 /nfs/dbraw/zinc/97/09/86/558970986.db2.gz PNXGGQCPOQJIAP-FQEVSTJZSA-N 1 1 408.502 4.411 40 0 HIABMO Cc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)OCO2 ZINC000072398610 558976005 /nfs/dbraw/zinc/97/60/05/558976005.db2.gz RYMUHRDIRPYMPK-MBSDFSHPSA-N 1 1 423.557 4.234 40 0 HIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000072398651 558976241 /nfs/dbraw/zinc/97/62/41/558976241.db2.gz AZGMSVIINPKKRZ-MBSDFSHPSA-N 1 1 422.479 4.138 40 0 HIABMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000019716832 558979072 /nfs/dbraw/zinc/97/90/72/558979072.db2.gz HJPBGQKZZKIZPT-UHFFFAOYSA-N 1 1 408.465 4.202 40 0 HIABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000585099883 559024523 /nfs/dbraw/zinc/02/45/23/559024523.db2.gz QFLDCSZPPBJGCV-JOCHJYFZSA-N 1 1 403.473 4.117 40 0 HIABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@@H+]4Cc4cnc(C)s4)C3)oc21 ZINC000585101801 559024939 /nfs/dbraw/zinc/02/49/39/559024939.db2.gz HGGLACLXLMGYHR-QFIPXVFZSA-N 1 1 411.527 4.087 40 0 HIABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@H+]4Cc4cnc(C)s4)C3)oc21 ZINC000585101801 559024940 /nfs/dbraw/zinc/02/49/40/559024940.db2.gz HGGLACLXLMGYHR-QFIPXVFZSA-N 1 1 411.527 4.087 40 0 HIABMO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@]2(CC[N@H+]2C[C@@H]2CCCO2)C1 ZINC000585102305 559026142 /nfs/dbraw/zinc/02/61/42/559026142.db2.gz WSCVTLVYWMQCQY-UKILVPOCSA-N 1 1 406.526 4.338 40 0 HIABMO O=C1C[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104691 559027223 /nfs/dbraw/zinc/02/72/23/559027223.db2.gz RGFKYLAOYWPJEX-NRFANRHFSA-N 1 1 422.422 4.100 40 0 HIABMO O=C1C[C@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104691 559027225 /nfs/dbraw/zinc/02/72/25/559027225.db2.gz RGFKYLAOYWPJEX-NRFANRHFSA-N 1 1 422.422 4.100 40 0 HIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000585106805 559029161 /nfs/dbraw/zinc/02/91/61/559029161.db2.gz IKMPFNSBQCHFOK-XMMPIXPASA-N 1 1 420.582 4.467 40 0 HIABMO C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CCN(Cc1ccc(Cl)c(F)c1)CC2 ZINC000096220895 559102028 /nfs/dbraw/zinc/10/20/28/559102028.db2.gz TZGLNCZXRXSJNU-LJQANCHMSA-N 1 1 403.929 4.130 40 0 HIABMO Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCC[N@H+](C)CC5)cc43)co2)cc1 ZINC000096266489 559107749 /nfs/dbraw/zinc/10/77/49/559107749.db2.gz PGYHYYXLZPHJGV-UHFFFAOYSA-N 1 1 416.481 4.236 40 0 HIABMO COCCOc1cc(C[N@@H+](Cc2ccccc2)Cc2ccccc2CO)ccc1OC ZINC000257228043 559283786 /nfs/dbraw/zinc/28/37/86/559283786.db2.gz FSBDJKSFGCZQMJ-UHFFFAOYSA-N 1 1 421.537 4.415 40 0 HIABMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290390 560029316 /nfs/dbraw/zinc/02/93/16/560029316.db2.gz ZYKFRILIQDQGLG-KYPHJKQUSA-N 1 1 418.512 4.322 40 0 biogenic,in-vitro HIABMO COc1ccc(C[N@H+](Cc2ccc(-n3ccnc3C)cc2)C[C@H]2CCCO2)cc1OC ZINC000013994219 560831640 /nfs/dbraw/zinc/83/16/40/560831640.db2.gz NISYBYUUGVRKHY-HSZRJFAPSA-N 1 1 421.541 4.379 40 0 HIABMO O=C(NCCc1ccccc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000219421285 568491699 /nfs/dbraw/zinc/49/16/99/568491699.db2.gz QSQLTBSPAQSQRO-UHFFFAOYSA-N 1 1 401.348 4.020 40 0 HIABMO c1ccc(Oc2cccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000022931397 568500821 /nfs/dbraw/zinc/50/08/21/568500821.db2.gz GABUVWIZKIXLJK-UHFFFAOYSA-N 1 1 403.526 4.208 40 0 HIABMO c1ccc(Oc2cccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000022931397 568500823 /nfs/dbraw/zinc/50/08/23/568500823.db2.gz GABUVWIZKIXLJK-UHFFFAOYSA-N 1 1 403.526 4.208 40 0 HIABMO CSc1nnc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)s1 ZINC000222752659 568525567 /nfs/dbraw/zinc/52/55/67/568525567.db2.gz YVIWIKOPVJFVQQ-UHFFFAOYSA-N 1 1 417.387 4.418 40 0 HIABMO O=C(NCCOCc1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223415563 568548186 /nfs/dbraw/zinc/54/81/86/568548186.db2.gz GCPVZWUQEJQFKE-UHFFFAOYSA-N 1 1 400.522 4.192 40 0 HIABMO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572736 568585720 /nfs/dbraw/zinc/58/57/20/568585720.db2.gz NSNWHXNHKRDNMX-VWLOTQADSA-N 1 1 418.537 4.146 40 0 HIABMO O=C(CCc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224755847 568595564 /nfs/dbraw/zinc/59/55/64/568595564.db2.gz RAEVIMLLKOVDDA-UHFFFAOYSA-N 1 1 407.341 4.075 40 0 HIABMO COc1ccc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000224932439 568604643 /nfs/dbraw/zinc/60/46/43/568604643.db2.gz JCDMMAQOTKSQTA-UHFFFAOYSA-N 1 1 414.549 4.480 40 0 HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225181673 568620960 /nfs/dbraw/zinc/62/09/60/568620960.db2.gz UQOURERDTPCRFK-UHFFFAOYSA-N 1 1 406.511 4.449 40 0 HIABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1C ZINC000225580253 568653821 /nfs/dbraw/zinc/65/38/21/568653821.db2.gz OLVVFYJQCOWOSY-UHFFFAOYSA-N 1 1 418.896 4.425 40 0 HIABMO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225585596 568654597 /nfs/dbraw/zinc/65/45/97/568654597.db2.gz GMPBKFIQVGIVFX-UHFFFAOYSA-N 1 1 418.940 4.449 40 0 HIABMO CCOC(=O)c1ccc(NC(=S)NCCC[N@H+]2CCCC[C@H]2CC)cc1Cl ZINC000260740020 568737264 /nfs/dbraw/zinc/73/72/64/568737264.db2.gz RRBVCTPOYJILOO-MRXNPFEDSA-N 1 1 411.999 4.458 40 0 HIABMO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257204251 568777396 /nfs/dbraw/zinc/77/73/96/568777396.db2.gz ATRXGRJBFPRMSW-RDGATRHJSA-N 1 1 408.542 4.082 40 0 HIABMO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257204251 568777397 /nfs/dbraw/zinc/77/73/97/568777397.db2.gz ATRXGRJBFPRMSW-RDGATRHJSA-N 1 1 408.542 4.082 40 0 HIABMO C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000257222844 568782659 /nfs/dbraw/zinc/78/26/59/568782659.db2.gz DUWJRYCANXSYIO-GOSISDBHSA-N 1 1 420.582 4.068 40 0 HIABMO Cc1nc2cc([C@H]3CCC[N@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257228334 568784545 /nfs/dbraw/zinc/78/45/45/568784545.db2.gz FTKZRPPRXJDIET-HSZRJFAPSA-N 1 1 423.605 4.275 40 0 HIABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)CC2 ZINC000257248409 568789977 /nfs/dbraw/zinc/78/99/77/568789977.db2.gz JDOBNSNOUZMFBF-UHFFFAOYSA-N 1 1 403.523 4.169 40 0 HIABMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)c1 ZINC000257277963 568798006 /nfs/dbraw/zinc/79/80/06/568798006.db2.gz OADZVYMFWFXSKT-ILBGXUMGSA-N 1 1 408.542 4.082 40 0 HIABMO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)c1 ZINC000257277963 568798007 /nfs/dbraw/zinc/79/80/07/568798007.db2.gz OADZVYMFWFXSKT-ILBGXUMGSA-N 1 1 408.542 4.082 40 0 HIABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)COc1ccccc1)[C@@H]2Cc1ccccc1 ZINC000257282807 568799450 /nfs/dbraw/zinc/79/94/50/568799450.db2.gz OVJQPOTUYGFTDK-XPICPDFBSA-N 1 1 404.554 4.150 40 0 HIABMO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)nc1C ZINC000257299491 568804288 /nfs/dbraw/zinc/80/42/88/568804288.db2.gz RQHOUDAXILHQBT-IBGZPJMESA-N 1 1 414.981 4.147 40 0 HIABMO CNC(=O)[C@]1(c2cccc(C)n2)CCC[N@@H+]1Cc1cccc(-c2ccccc2OC)c1 ZINC000257340500 568816152 /nfs/dbraw/zinc/81/61/52/568816152.db2.gz ZGKREANNBRIOKD-AREMUKBSSA-N 1 1 415.537 4.303 40 0 HIABMO CNC(=O)[C@]1(c2cccc(C)n2)CCC[N@H+]1Cc1cccc(-c2ccccc2OC)c1 ZINC000257340500 568816153 /nfs/dbraw/zinc/81/61/53/568816153.db2.gz ZGKREANNBRIOKD-AREMUKBSSA-N 1 1 415.537 4.303 40 0 HIABMO CC(=O)c1ccccc1OC[C@@H](O)C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000027228784 568866308 /nfs/dbraw/zinc/86/63/08/568866308.db2.gz OHPSWRGGGLYOPS-DEOSSOPVSA-N 1 1 403.522 4.374 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306126599 568889408 /nfs/dbraw/zinc/88/94/08/568889408.db2.gz DZXGMSLVMPESSW-FQEVSTJZSA-N 1 1 404.493 4.131 40 0 HIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccoc5)C4)nn3c2)c1OC ZINC000306138676 568900546 /nfs/dbraw/zinc/90/05/46/568900546.db2.gz SEAHFJSIQFKRQE-IBGZPJMESA-N 1 1 418.497 4.386 40 0 HIABMO Cc1cccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144383 568905933 /nfs/dbraw/zinc/90/59/33/568905933.db2.gz ZDSRTJYVWFOHFL-RCZVLFRGSA-N 1 1 406.574 4.001 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000009062679 569342181 /nfs/dbraw/zinc/34/21/81/569342181.db2.gz VSVDEHCWNNGKBR-KDURUIRLSA-N 1 1 406.014 4.036 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000009062679 569342182 /nfs/dbraw/zinc/34/21/82/569342182.db2.gz VSVDEHCWNNGKBR-KDURUIRLSA-N 1 1 406.014 4.036 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)n1 ZINC000019236209 569345288 /nfs/dbraw/zinc/34/52/88/569345288.db2.gz KMNUVGFFIYVUJY-XMSQKQJNSA-N 1 1 406.555 4.230 40 0 HIABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1 ZINC000019450860 569345495 /nfs/dbraw/zinc/34/54/95/569345495.db2.gz BJRBZQWKHCRGEZ-ZJSXRUAMSA-N 1 1 407.558 4.348 40 0 HIABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3cccnc3)CC2)sc1COc1ccccc1 ZINC000019695888 569346750 /nfs/dbraw/zinc/34/67/50/569346750.db2.gz MWEVYXHIBQRGRO-HSZRJFAPSA-N 1 1 409.555 4.299 40 0 HIABMO CN(C)c1ncccc1C[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713422 569348364 /nfs/dbraw/zinc/34/83/64/569348364.db2.gz HUNVUZCQHUTFIE-RCZVLFRGSA-N 1 1 424.564 4.223 40 0 HIABMO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@H+]2Cc2cccc3cccnc32)cc1 ZINC000019713933 569348489 /nfs/dbraw/zinc/34/84/89/569348489.db2.gz QCOKLXYHYJXIBV-YTFSRNRJSA-N 1 1 401.510 4.228 40 0 HIABMO CCOc1ccc(Br)cc1C(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033649689 569350822 /nfs/dbraw/zinc/35/08/22/569350822.db2.gz WKMRJQMDYQVGFY-UHFFFAOYSA-N 1 1 419.388 4.341 40 0 HIABMO COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908469 569352042 /nfs/dbraw/zinc/35/20/42/569352042.db2.gz LCTBWTLRTGOEFU-HKUYNNGSSA-N 1 1 416.949 4.144 40 0 HIABMO CC[C@@H](C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C2CC2)[nH+]1 ZINC000328980449 571309061 /nfs/dbraw/zinc/30/90/61/571309061.db2.gz GNQGPCGURUMYPS-CYBMUJFWSA-N 1 1 406.452 5.026 40 0 HIABMO CC1=C[C@@H](C[NH2+][C@H]2CC[C@H](CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000100039089 291262649 /nfs/dbraw/zinc/26/26/49/291262649.db2.gz LRXHHWFZZNOXNK-KGWSWXIGSA-N 1 1 410.606 4.496 40 0 biogenic,in-vitro HIABMO CC1=C[C@@H](C[NH2+][C@H]2CC[C@H](CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000100039089 291262653 /nfs/dbraw/zinc/26/26/53/291262653.db2.gz LRXHHWFZZNOXNK-KGWSWXIGSA-N 1 1 410.606 4.496 40 0 biogenic,in-vitro HIABMO COCc1ccc(C[NH2+][C@H]2C[C@@H](Cc3cc(CN4CCCCC4)on3)C2(C)C)o1 ZINC000067889705 291264762 /nfs/dbraw/zinc/26/47/62/291264762.db2.gz AIYNHMVPBISZFJ-VGSWGCGISA-N 1 1 401.551 4.147 40 0 biogenic,in-vitro HIABMO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)c2ccccc12 ZINC000015674895 291266342 /nfs/dbraw/zinc/26/63/42/291266342.db2.gz PYSUXYRRSGYQRY-NQIIRXRSSA-N 1 1 419.456 4.345 40 0 biogenic,in-vitro HIABMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)c2ccccc12 ZINC000015674895 291266343 /nfs/dbraw/zinc/26/63/43/291266343.db2.gz PYSUXYRRSGYQRY-NQIIRXRSSA-N 1 1 419.456 4.345 40 0 biogenic,in-vitro HIABMO COc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000044851792 523937587 /nfs/dbraw/zinc/93/75/87/523937587.db2.gz IQKCOZUJHRXSSI-LJQANCHMSA-N 1 1 410.558 4.298 40 0 HIABMO O=C(NCCSCc1ccccc1F)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044909076 526373475 /nfs/dbraw/zinc/37/34/75/526373475.db2.gz ZKYLJTDRVZJPFD-GOSISDBHSA-N 1 1 404.526 4.226 40 0 HIABMO CC[NH+]1CCN(C(=S)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000408577817 557480967 /nfs/dbraw/zinc/48/09/67/557480967.db2.gz UKXXAGQWDSDLJS-UHFFFAOYSA-N 1 1 404.963 4.241 40 0 HIABMO CC(=O)Nc1ccc(OCC[N@H+]2CCc3nc(-c4ccccc4F)sc3C2)cc1 ZINC000019719926 558258502 /nfs/dbraw/zinc/25/85/02/558258502.db2.gz MUZZMKMRPZNNCR-UHFFFAOYSA-N 1 1 411.502 4.345 40 0 HIABMO CCCn1ncc2ccc([C@@H]3CCC[N@@H+](Cc4c(C)nc5cc(C)ccn54)C3)nc21 ZINC000019742500 558262953 /nfs/dbraw/zinc/26/29/53/558262953.db2.gz LHSUSQIYFLWZBI-HXUWFJFHSA-N 1 1 402.546 4.485 40 0 HIABMO Cc1cc(C)n(-c2cccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)c2)n1 ZINC000012089053 558323583 /nfs/dbraw/zinc/32/35/83/558323583.db2.gz SMBKMDWPJYTCLY-HCGNOCCLSA-N 1 1 402.542 4.004 40 0 HIABMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c1 ZINC000012187514 558346629 /nfs/dbraw/zinc/34/66/29/558346629.db2.gz ZMIVTPOOLBXDLV-QHCPKHFHSA-N 1 1 424.541 4.012 40 0 HIABMO COc1ccc(OC)c(C[N@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c1 ZINC000012187514 558346630 /nfs/dbraw/zinc/34/66/30/558346630.db2.gz ZMIVTPOOLBXDLV-QHCPKHFHSA-N 1 1 424.541 4.012 40 0 HIABMO C[NH+]1CCN(CCCN2c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@@H]32)CC1 ZINC000022027788 558458975 /nfs/dbraw/zinc/45/89/75/558458975.db2.gz RQVPJKVPRLTSPS-ICSRJNTNSA-N 1 1 409.521 4.032 40 0 HIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cnn(Cc2ccccc2)c1C)Cc1cccnc1 ZINC000022913676 558520517 /nfs/dbraw/zinc/52/05/17/558520517.db2.gz TZEGOVONKRRQBS-VWLOTQADSA-N 1 1 403.574 4.121 40 0 HIABMO O[C@@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000028615018 558702381 /nfs/dbraw/zinc/70/23/81/558702381.db2.gz HWYVRTQQYWZTOG-JOCHJYFZSA-N 1 1 412.549 4.435 40 0 HIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2Cl)CC1 ZINC000016681545 558799393 /nfs/dbraw/zinc/79/93/93/558799393.db2.gz HMHHXCVJHVWNRI-UHFFFAOYSA-N 1 1 422.754 4.497 40 0 HIABMO CCOc1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1OCC ZINC000038755570 558814584 /nfs/dbraw/zinc/81/45/84/558814584.db2.gz UJDLTZLWZAYNPF-UHFFFAOYSA-N 1 1 407.514 4.227 40 0 HIABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851323 558818777 /nfs/dbraw/zinc/81/87/77/558818777.db2.gz WAKLLUOEXDEBIT-IBGZPJMESA-N 1 1 415.940 4.040 40 0 HIABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1OCc1ccccc1 ZINC000018217503 558833781 /nfs/dbraw/zinc/83/37/81/558833781.db2.gz XMRCWWJAAZDGSW-UHFFFAOYSA-N 1 1 416.521 4.028 40 0 HIABMO O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019014820 558837018 /nfs/dbraw/zinc/83/70/18/558837018.db2.gz RJAQBXNKDSSRSC-SIKLNZKXSA-N 1 1 424.589 4.140 40 0 HIABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019081857 558839760 /nfs/dbraw/zinc/83/97/60/558839760.db2.gz QEPXLMUAVBMRPA-UTKZUKDTSA-N 1 1 401.501 4.475 40 0 HIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c1 ZINC000019288204 558861238 /nfs/dbraw/zinc/86/12/38/558861238.db2.gz LHIYDGRSPKDEGV-HXUWFJFHSA-N 1 1 407.489 4.310 40 0 HIABMO O=c1c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2Cc2ccccc2)coc2ccc(Cl)cc12 ZINC000019372757 558880150 /nfs/dbraw/zinc/88/01/50/558880150.db2.gz HNYWRBYICFROKY-LEWJYISDSA-N 1 1 408.929 4.338 40 0 HIABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449562 558887983 /nfs/dbraw/zinc/88/79/83/558887983.db2.gz DIFDWATWECZTGV-AREMUKBSSA-N 1 1 414.553 4.103 40 0 HIABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)no2)CC1 ZINC000019496767 558895663 /nfs/dbraw/zinc/89/56/63/558895663.db2.gz RVUXDTQWNKYWAK-FQEVSTJZSA-N 1 1 418.541 4.475 40 0 HIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cnc(-c2ccc(OC)cc2)nc1)Cc1ccccn1 ZINC000019527178 558908214 /nfs/dbraw/zinc/90/82/14/558908214.db2.gz SSZNSKWADYFNFA-QHCPKHFHSA-N 1 1 417.557 4.034 40 0 HIABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019528740 558910036 /nfs/dbraw/zinc/91/00/36/558910036.db2.gz WBKQLPCRLJOWOG-RUZDIDTESA-N 1 1 418.541 4.006 40 0 HIABMO Cc1nc(C2=CC[N@@H+](Cc3cccc4ccccc43)CC2)nc(N2CCOCC2)c1C ZINC000019555256 558918218 /nfs/dbraw/zinc/91/82/18/558918218.db2.gz RGXOCTNACLGEIR-UHFFFAOYSA-N 1 1 414.553 4.373 40 0 HIABMO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4cccnc4)C[C@@H]32)cc1 ZINC000019557774 558919546 /nfs/dbraw/zinc/91/95/46/558919546.db2.gz NWDDTQJZWRHGEK-UBFVSLLYSA-N 1 1 419.569 4.097 40 0 HIABMO CCn1cncc1C[N@H+]1CCC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019578645 558934329 /nfs/dbraw/zinc/93/43/29/558934329.db2.gz KHBRGYIUYHYGNJ-HNNXBMFYSA-N 1 1 420.483 4.468 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C2CCCC2)c2ccccn2)C1 ZINC000072330391 558934492 /nfs/dbraw/zinc/93/44/92/558934492.db2.gz MPHKBFGYGUEKOQ-QPPBQGQZSA-N 1 1 407.558 4.350 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)n1 ZINC000072330492 558934819 /nfs/dbraw/zinc/93/48/19/558934819.db2.gz KGXLHKJEJKZVDI-BWKNWUBXSA-N 1 1 414.553 4.477 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c1F ZINC000072330569 558935057 /nfs/dbraw/zinc/93/50/57/558935057.db2.gz OPOBWJKZYGNXNO-XXBNENTESA-N 1 1 411.521 4.099 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](CC2=CCCOC2)C1 ZINC000019580260 558935849 /nfs/dbraw/zinc/93/58/49/558935849.db2.gz LODUAYKWXNVOIO-SANMLTNESA-N 1 1 404.554 4.023 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019580347 558936060 /nfs/dbraw/zinc/93/60/60/558936060.db2.gz NMLXVXWVIPEQAC-SANMLTNESA-N 1 1 417.528 4.411 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019580519 558936229 /nfs/dbraw/zinc/93/62/29/558936229.db2.gz ZZZGSWUPWHEYCA-DEOSSOPVSA-N 1 1 405.567 4.333 40 0 HIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)c2)cn1 ZINC000072353595 558950647 /nfs/dbraw/zinc/95/06/47/558950647.db2.gz NVICEKOGOUCCCC-JOCHJYFZSA-N 1 1 414.553 4.234 40 0 HIABMO COc1ccccc1Cc1cc(C)nc([C@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)c1 ZINC000072353983 558951267 /nfs/dbraw/zinc/95/12/67/558951267.db2.gz XBRWMMJBYAEXPO-QFIPXVFZSA-N 1 1 404.558 4.411 40 0 HIABMO CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC000019694759 558963245 /nfs/dbraw/zinc/96/32/45/558963245.db2.gz AQVVHMMDNNWQEV-HXUWFJFHSA-N 1 1 410.953 4.324 40 0 HIABMO CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC000019694759 558963249 /nfs/dbraw/zinc/96/32/49/558963249.db2.gz AQVVHMMDNNWQEV-HXUWFJFHSA-N 1 1 410.953 4.324 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4ccc(C)cn4)n3)C2)cc1 ZINC000072378010 558967327 /nfs/dbraw/zinc/96/73/27/558967327.db2.gz UCCKVKPDJVKPBL-HXUWFJFHSA-N 1 1 416.529 4.262 40 0 HIABMO CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@@H+](C)CCOc2ccc(C)cc2)C1 ZINC000072395269 558974051 /nfs/dbraw/zinc/97/40/51/558974051.db2.gz LXHHXDUNLKMQAL-FQEVSTJZSA-N 1 1 420.557 4.108 40 0 HIABMO Cc1[nH+]ccn1[C@H](C(=O)N1CCC(c2nc3cc(C)ccc3[nH]2)CC1)c1ccccc1 ZINC000019718823 558982355 /nfs/dbraw/zinc/98/23/55/558982355.db2.gz KGSNMXOZPGINTA-QHCPKHFHSA-N 1 1 413.525 4.372 40 0 HIABMO Cc1[nH+]ccn1[C@H](C(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1)c1ccccc1 ZINC000019718823 558982357 /nfs/dbraw/zinc/98/23/57/558982357.db2.gz KGSNMXOZPGINTA-QHCPKHFHSA-N 1 1 413.525 4.372 40 0 HIABMO Cc1nc(CN2C(=O)CC[C@]23CCC[N@@H+](Cc2ccc4c(c2)CCC4)CC3)cs1 ZINC000585100794 559025449 /nfs/dbraw/zinc/02/54/49/559025449.db2.gz WTRQGGMHTGOWKS-DEOSSOPVSA-N 1 1 409.599 4.488 40 0 HIABMO COc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CC[C@H]32)c1 ZINC000585108016 559029665 /nfs/dbraw/zinc/02/96/65/559029665.db2.gz VQXUBBLJQLLBSV-XSEFMFLKSA-N 1 1 410.945 4.185 40 0 HIABMO O=S(=O)(c1ccccc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000096071292 559094347 /nfs/dbraw/zinc/09/43/47/559094347.db2.gz WHBMLVSIULOTLK-OAQYLSRUSA-N 1 1 404.963 4.159 40 0 HIABMO CSc1ncc(C[NH+]2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585263342 559111981 /nfs/dbraw/zinc/11/19/81/559111981.db2.gz CLKILOJDUBRZRW-UHFFFAOYSA-N 1 1 412.588 4.482 40 0 HIABMO O=C1C[C@@H]([NH+]2CCC(CCc3ccc(F)cc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100227747 559132608 /nfs/dbraw/zinc/13/26/08/559132608.db2.gz UDCIFVIUCNFHEP-OAQYLSRUSA-N 1 1 414.908 4.456 40 0 HIABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216427 559169527 /nfs/dbraw/zinc/16/95/27/559169527.db2.gz OCXYLVNSLPICBI-FQEVSTJZSA-N 1 1 402.583 4.466 40 0 HIABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216424 559169542 /nfs/dbraw/zinc/16/95/42/559169542.db2.gz GMERJXONBTURRL-HXUWFJFHSA-N 1 1 402.583 4.322 40 0 HIABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216486 559169589 /nfs/dbraw/zinc/16/95/89/559169589.db2.gz YSIUVKQKZLWYFZ-HXUWFJFHSA-N 1 1 402.583 4.466 40 0 HIABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccc4nccnc4c3)[nH]n2)cc1 ZINC000072378343 559186810 /nfs/dbraw/zinc/18/68/10/559186810.db2.gz HESROBBPNUOKIF-DEOSSOPVSA-N 1 1 417.488 4.451 40 0 HIABMO C[N@H+]1CCC[C@H](CNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)C1 ZINC000257302347 559286087 /nfs/dbraw/zinc/28/60/87/559286087.db2.gz SCOMRUDSYYBNEH-OAQYLSRUSA-N 1 1 424.560 4.290 40 0 HIABMO C[C@@]1(O)CC[N@H+](Cc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289957 560031019 /nfs/dbraw/zinc/03/10/19/560031019.db2.gz PTMJVIBGRRDVSE-WPFOTENUSA-N 1 1 424.541 4.384 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289957 560031021 /nfs/dbraw/zinc/03/10/21/560031021.db2.gz PTMJVIBGRRDVSE-WPFOTENUSA-N 1 1 424.541 4.384 40 0 biogenic,in-vitro HIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+]3CCCCCC3)cc2c1 ZINC000000908640 560545786 /nfs/dbraw/zinc/54/57/86/560545786.db2.gz XEEDXIZCRJPGLM-OAQYLSRUSA-N 1 1 422.577 4.188 40 0 HIABMO CC1CC[NH+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)CC1 ZINC000013563024 560816128 /nfs/dbraw/zinc/81/61/28/560816128.db2.gz WALUTGDQSCTPKT-UHFFFAOYSA-N 1 1 405.498 4.148 40 0 HIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)C1 ZINC000219242311 568488300 /nfs/dbraw/zinc/48/83/00/568488300.db2.gz OQBGUECYAOREBG-MRXNPFEDSA-N 1 1 410.543 4.302 40 0 HIABMO C[C@@H]1C[N@H+](Cc2ccco2)[C@H](C)CN1CC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000057731517 568496388 /nfs/dbraw/zinc/49/63/88/568496388.db2.gz BXFJXZBQKUIFJC-ZIAGYGMSSA-N 1 1 418.950 4.076 40 0 HIABMO C[C@@H]1C[N@@H+](Cc2ccco2)[C@H](C)CN1CC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000057731517 568496389 /nfs/dbraw/zinc/49/63/89/568496389.db2.gz BXFJXZBQKUIFJC-ZIAGYGMSSA-N 1 1 418.950 4.076 40 0 HIABMO Cc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222601036 568520150 /nfs/dbraw/zinc/52/01/50/568520150.db2.gz LJJBTDUEKJVSIL-FQEVSTJZSA-N 1 1 422.504 4.055 40 0 HIABMO Cc1cccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000223415060 568548109 /nfs/dbraw/zinc/54/81/09/568548109.db2.gz WUQXYORIQRCOQX-UHFFFAOYSA-N 1 1 400.522 4.362 40 0 HIABMO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739352 568594495 /nfs/dbraw/zinc/59/44/95/568594495.db2.gz YABYTMHBUVTIBS-XMMPIXPASA-N 1 1 418.537 4.146 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COCC(C)C ZINC000224740640 568594524 /nfs/dbraw/zinc/59/45/24/568594524.db2.gz VOVUUOOJROPKAN-UHFFFAOYSA-N 1 1 410.558 4.216 40 0 HIABMO CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000225450822 568639081 /nfs/dbraw/zinc/63/90/81/568639081.db2.gz UAEHAUACZQXNTE-UHFFFAOYSA-N 1 1 408.527 4.152 40 0 HIABMO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCCCCC1 ZINC000225659739 568661124 /nfs/dbraw/zinc/66/11/24/568661124.db2.gz CZMWTFFZOGXLQU-UHFFFAOYSA-N 1 1 418.578 4.246 40 0 HIABMO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000225730461 568668754 /nfs/dbraw/zinc/66/87/54/568668754.db2.gz RRFSSSJMLUTWOL-GASCZTMLSA-N 1 1 411.999 4.171 40 0 HIABMO CCOC(=O)c1cc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000225730368 568668837 /nfs/dbraw/zinc/66/88/37/568668837.db2.gz MNHDCFWETXPUAP-GASCZTMLSA-N 1 1 411.999 4.171 40 0 HIABMO Cn1cnc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000225892220 568684023 /nfs/dbraw/zinc/68/40/23/568684023.db2.gz UFPDTADOJYWGIN-UHFFFAOYSA-N 1 1 410.521 4.121 40 0 HIABMO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccc(F)cc1 ZINC000257213095 568779924 /nfs/dbraw/zinc/77/99/24/568779924.db2.gz CGDSMAMMQOXJQQ-NRFANRHFSA-N 1 1 421.516 4.243 40 0 HIABMO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccc(F)cc1 ZINC000257213095 568779926 /nfs/dbraw/zinc/77/99/26/568779926.db2.gz CGDSMAMMQOXJQQ-NRFANRHFSA-N 1 1 421.516 4.243 40 0 HIABMO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccc(F)cc1 ZINC000257213096 568780074 /nfs/dbraw/zinc/78/00/74/568780074.db2.gz CGDSMAMMQOXJQQ-OAQYLSRUSA-N 1 1 421.516 4.243 40 0 HIABMO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccc(F)cc1 ZINC000257213096 568780075 /nfs/dbraw/zinc/78/00/75/568780075.db2.gz CGDSMAMMQOXJQQ-OAQYLSRUSA-N 1 1 421.516 4.243 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257219846 568782103 /nfs/dbraw/zinc/78/21/03/568782103.db2.gz DILIDLMFIXDAOM-NRFANRHFSA-N 1 1 424.564 4.167 40 0 HIABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257238765 568787364 /nfs/dbraw/zinc/78/73/64/568787364.db2.gz HMLBLIRFFZEDLE-JOCHJYFZSA-N 1 1 420.601 4.383 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CCC(C)CC4)on3)C2)c1 ZINC000257256782 568792114 /nfs/dbraw/zinc/79/21/14/568792114.db2.gz KMWMKWHADDSCOM-SYYJFZTOSA-N 1 1 411.546 4.371 40 0 HIABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccc(Cc3ccc(F)cc3)nc1)C2 ZINC000257262518 568793512 /nfs/dbraw/zinc/79/35/12/568793512.db2.gz LLSQDRUQKHRQHG-UCKMRUJXSA-N 1 1 407.533 4.289 40 0 HIABMO CNc1cc([C@@]2(C)CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)nc(C)n1 ZINC000257289892 568801402 /nfs/dbraw/zinc/80/14/02/568801402.db2.gz QAPYUMUCUXCAGA-VWLOTQADSA-N 1 1 417.557 4.354 40 0 HIABMO COc1cccc(-c2cncc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)c1 ZINC000257297508 568803792 /nfs/dbraw/zinc/80/37/92/568803792.db2.gz RHNYYLJBNYPRNG-VWLOTQADSA-N 1 1 412.493 4.274 40 0 HIABMO COc1cccc(-c2cncc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)c1 ZINC000257297508 568803794 /nfs/dbraw/zinc/80/37/94/568803794.db2.gz RHNYYLJBNYPRNG-VWLOTQADSA-N 1 1 412.493 4.274 40 0 HIABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)c4ccco4)C[C@@H]32)cc1 ZINC000257310981 568807611 /nfs/dbraw/zinc/80/76/11/568807611.db2.gz UHKQUVGYGDBXFH-WXFUMESZSA-N 1 1 416.521 4.419 40 0 HIABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2-c2ccccc2OC)C1 ZINC000257337937 568815344 /nfs/dbraw/zinc/81/53/44/568815344.db2.gz YVBVGUFZZOVLLQ-SANMLTNESA-N 1 1 415.537 4.037 40 0 HIABMO CNC(=O)[C@@]1(c2cccc(C)n2)CCC[N@@H+]1Cc1cccc(-c2ccccc2OC)c1 ZINC000257340501 568816164 /nfs/dbraw/zinc/81/61/64/568816164.db2.gz ZGKREANNBRIOKD-SANMLTNESA-N 1 1 415.537 4.303 40 0 HIABMO CNC(=O)[C@@]1(c2cccc(C)n2)CCC[N@H+]1Cc1cccc(-c2ccccc2OC)c1 ZINC000257340501 568816165 /nfs/dbraw/zinc/81/61/65/568816165.db2.gz ZGKREANNBRIOKD-SANMLTNESA-N 1 1 415.537 4.303 40 0 HIABMO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)nn2c1 ZINC000306134620 568896544 /nfs/dbraw/zinc/89/65/44/568896544.db2.gz NTROLERIIWCZLO-LJQANCHMSA-N 1 1 417.488 4.319 40 0 HIABMO Cc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306137352 568899079 /nfs/dbraw/zinc/89/90/79/568899079.db2.gz QUDGLTYIGFJWNH-OFNKIYASSA-N 1 1 412.603 4.062 40 0 HIABMO CCc1ccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306137428 568899394 /nfs/dbraw/zinc/89/93/94/568899394.db2.gz QVZMBQOTZORGJX-ZEQKJWHPSA-N 1 1 420.601 4.255 40 0 HIABMO Cc1cccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144384 568905860 /nfs/dbraw/zinc/90/58/60/568905860.db2.gz ZDSRTJYVWFOHFL-RDGATRHJSA-N 1 1 406.574 4.001 40 0 HIABMO O=C(C[N@H+]1C[C@@H]2[C@@H](Cc3ccccc3Cl)CC[C@@H]2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000536558922 569062843 /nfs/dbraw/zinc/06/28/43/569062843.db2.gz TXISHJVFJBPTPD-QGPMSJSTSA-N 1 1 424.932 4.061 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c2ccccc21 ZINC000019290442 569345504 /nfs/dbraw/zinc/34/55/04/569345504.db2.gz ZAWCIFMIKYXEES-NBGIEHNGSA-N 1 1 416.569 4.443 40 0 HIABMO CCn1c(C[N@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)nc2ccccc21 ZINC000019704536 569347703 /nfs/dbraw/zinc/34/77/03/569347703.db2.gz QLIIUPSJZWAARZ-KRWDZBQOSA-N 1 1 419.504 4.487 40 0 HIABMO C[C@@]12CC[N@H+](Cc3ncc[nH]3)[C@@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713705 569348465 /nfs/dbraw/zinc/34/84/65/569348465.db2.gz YRPMWTOWUKDLLJ-WIYYLYMNSA-N 1 1 420.479 4.364 40 0 HIABMO C[C@@]12CC[N@@H+](Cc3ncc[nH]3)[C@@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713705 569348466 /nfs/dbraw/zinc/34/84/66/569348466.db2.gz YRPMWTOWUKDLLJ-WIYYLYMNSA-N 1 1 420.479 4.364 40 0 HIABMO Cc1nc([C@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019738682 569348593 /nfs/dbraw/zinc/34/85/93/569348593.db2.gz OKQSPKXTRDROSX-QFIPXVFZSA-N 1 1 422.541 4.435 40 0 HIABMO COc1ccc(NC(=O)c2cnc([C@H]3CC[N@@H+](Cc4ccccc4C)C3)nc2C)cc1 ZINC000019766211 569349045 /nfs/dbraw/zinc/34/90/45/569349045.db2.gz VPVRSZAIDAXJCU-FQEVSTJZSA-N 1 1 416.525 4.344 40 0 HIABMO CC1CC[NH+]([C@H](C(=O)Nc2cnn(Cc3ccccc3F)c2)c2ccccc2)CC1 ZINC000141592339 569355097 /nfs/dbraw/zinc/35/50/97/569355097.db2.gz JCEQHTIKEWFOAH-QHCPKHFHSA-N 1 1 406.505 4.482 40 0 HIABMO COc1ccc(-c2nccnc2[C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000019693398 569428458 /nfs/dbraw/zinc/42/84/58/569428458.db2.gz IAKHLZMQJSXNMX-QHCPKHFHSA-N 1 1 412.493 4.274 40 0 HIABMO COc1ccc(-c2nccnc2[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000019693398 569428460 /nfs/dbraw/zinc/42/84/60/569428460.db2.gz IAKHLZMQJSXNMX-QHCPKHFHSA-N 1 1 412.493 4.274 40 0 HIABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(OC)cc5)c43)C2)cc1 ZINC000004237507 291266316 /nfs/dbraw/zinc/26/63/16/291266316.db2.gz MIZXXKJVQQRJEY-PZJWPPBQSA-N 1 1 416.521 4.152 40 0 biogenic,in-vitro HIABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CC2CCCCC2)C1)c1ccccc1 ZINC000004236217 291269689 /nfs/dbraw/zinc/26/96/89/291269689.db2.gz CQCMVNPUBZJCIW-PZJWPPBQSA-N 1 1 405.542 4.100 40 0 biogenic,in-vitro HIABMO CC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000036628243 519594655 /nfs/dbraw/zinc/59/46/55/519594655.db2.gz GMVJSNHQUSBZSK-UHFFFAOYSA-N 1 1 411.509 4.064 40 0 HIABMO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2Sc2ccc(C)cc21 ZINC000020178945 519849612 /nfs/dbraw/zinc/84/96/12/519849612.db2.gz FYANODVZWVGQHK-UHFFFAOYSA-N 1 1 423.582 4.443 40 0 HIABMO COc1ccccc1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044906603 524401696 /nfs/dbraw/zinc/40/16/96/524401696.db2.gz IZPJRKMXYQKATM-HXUWFJFHSA-N 1 1 400.950 4.310 40 0 HIABMO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3cc[nH+]c3C)cc1)CC(C)(C)O2 ZINC000044855576 525573544 /nfs/dbraw/zinc/57/35/44/525573544.db2.gz ZCPKSLRNZQOYDH-NRFANRHFSA-N 1 1 405.498 4.281 40 0 HIABMO CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCc1ccccc1 ZINC000008254045 557778200 /nfs/dbraw/zinc/77/82/00/557778200.db2.gz LBLAWSLYDLRVDP-UHFFFAOYSA-N 1 1 421.379 4.468 40 0 HIABMO COc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ncccc1C)CCCC2 ZINC000012089089 558323503 /nfs/dbraw/zinc/32/35/03/558323503.db2.gz GTXJPOOVDCXJOP-XZQOPNAISA-N 1 1 406.570 4.397 40 0 HIABMO COc1ccc(-c2ccc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)cc2)cc1 ZINC000012185629 558344965 /nfs/dbraw/zinc/34/49/65/558344965.db2.gz MXHWQFJUKRSICD-SFHVURJKSA-N 1 1 405.494 4.474 40 0 HIABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020461569 558373348 /nfs/dbraw/zinc/37/33/48/558373348.db2.gz XLTQHIRQAFINHL-UHFFFAOYSA-N 1 1 419.506 4.452 40 0 HIABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000020494656 558379928 /nfs/dbraw/zinc/37/99/28/558379928.db2.gz WGNRABHULKLWLN-UHFFFAOYSA-N 1 1 410.326 4.107 40 0 HIABMO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039767740 558686114 /nfs/dbraw/zinc/68/61/14/558686114.db2.gz SHMYMSYFTPURLG-UHFFFAOYSA-N 1 1 418.940 4.449 40 0 HIABMO COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ccc1Cl ZINC000030938882 558745091 /nfs/dbraw/zinc/74/50/91/558745091.db2.gz NSRRGASOXINSQP-OAHLLOKOSA-N 1 1 404.869 4.116 40 0 HIABMO CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030939462 558745321 /nfs/dbraw/zinc/74/53/21/558745321.db2.gz UENNTNCLBQYKOA-SFHVURJKSA-N 1 1 413.949 4.331 40 0 HIABMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](NC(=O)C2CCC2)c2ccccn2)cc1 ZINC000036734717 558801217 /nfs/dbraw/zinc/80/12/17/558801217.db2.gz ASQMJPZVYKDROF-URXFXBBRSA-N 1 1 407.558 4.492 40 0 HIABMO O=C(NCc1cccs1)c1cc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)no1 ZINC000019343736 558872589 /nfs/dbraw/zinc/87/25/89/558872589.db2.gz WMSMIECVFLHRBS-UHFFFAOYSA-N 1 1 417.481 4.324 40 0 HIABMO c1ccc(-c2cnc3c(c2)[C@H]([NH2+]CC2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000019374054 558880879 /nfs/dbraw/zinc/88/08/79/558880879.db2.gz AHECJRHJQGGPEH-OAQYLSRUSA-N 1 1 412.522 4.413 40 0 HIABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449645 558888164 /nfs/dbraw/zinc/88/81/64/558888164.db2.gz XQIYDXYRDGZGHX-SANMLTNESA-N 1 1 414.553 4.103 40 0 HIABMO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC000019520109 558901076 /nfs/dbraw/zinc/90/10/76/558901076.db2.gz WNPLUTIPIJFESL-GHTZIAJQSA-N 1 1 424.589 4.233 40 0 HIABMO CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019529183 558910864 /nfs/dbraw/zinc/91/08/64/558910864.db2.gz WBHYTBPPBLLGDX-SANMLTNESA-N 1 1 417.528 4.459 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019579598 558935079 /nfs/dbraw/zinc/93/50/79/558935079.db2.gz XXSVRNJKODEGET-SANMLTNESA-N 1 1 414.553 4.057 40 0 HIABMO C[C@H]1Cc2cc(C[N@H+]3CCC[C@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2O1 ZINC000072330573 558935209 /nfs/dbraw/zinc/93/52/09/558935209.db2.gz WSBUQQOHDOYUOG-HMHJJOSWSA-N 1 1 419.569 4.275 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](CC2=CCCOC2)C1 ZINC000019580257 558935819 /nfs/dbraw/zinc/93/58/19/558935819.db2.gz LODUAYKWXNVOIO-AREMUKBSSA-N 1 1 404.554 4.023 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341421 558939741 /nfs/dbraw/zinc/93/97/41/558939741.db2.gz OPTZURDZBWXKDN-CTNGQTDRSA-N 1 1 413.587 4.411 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(OC)cc3)C2)cc1 ZINC000072345906 558942551 /nfs/dbraw/zinc/94/25/51/558942551.db2.gz OUMHJWHWOGXBCG-IBGZPJMESA-N 1 1 404.514 4.123 40 0 HIABMO CCc1ncc(C[N@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000072346222 558943043 /nfs/dbraw/zinc/94/30/43/558943043.db2.gz HZMCGMVZNIFOKY-KRWDZBQOSA-N 1 1 408.937 4.111 40 0 HIABMO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(Nc3ccccn3)cn1)OCCO2 ZINC000072353192 558949933 /nfs/dbraw/zinc/94/99/33/558949933.db2.gz TWYUAGNWXXAFRD-HXUWFJFHSA-N 1 1 418.497 4.337 40 0 HIABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc(Nc3ccccn3)cn1)OCCO2 ZINC000072353192 558949936 /nfs/dbraw/zinc/94/99/36/558949936.db2.gz TWYUAGNWXXAFRD-HXUWFJFHSA-N 1 1 418.497 4.337 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H](Cn3ccnc3C)C2)cc1Cc1c(C)n[nH]c1C ZINC000019658393 558950422 /nfs/dbraw/zinc/95/04/22/558950422.db2.gz STIYMLAYMIYDHW-OAQYLSRUSA-N 1 1 407.562 4.043 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)s1 ZINC000072371796 558959093 /nfs/dbraw/zinc/95/90/93/558959093.db2.gz VMEGNEQRDSMNRY-OAHLLOKOSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)s1 ZINC000072371796 558959094 /nfs/dbraw/zinc/95/90/94/558959094.db2.gz VMEGNEQRDSMNRY-OAHLLOKOSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)s1 ZINC000072371796 558959098 /nfs/dbraw/zinc/95/90/98/558959098.db2.gz VMEGNEQRDSMNRY-OAHLLOKOSA-N 1 1 402.951 4.439 40 0 HIABMO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000072372454 558959963 /nfs/dbraw/zinc/95/99/63/558959963.db2.gz QHBBVIZLTCCXOA-QHCPKHFHSA-N 1 1 405.521 4.313 40 0 HIABMO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000072372454 558959964 /nfs/dbraw/zinc/95/99/64/558959964.db2.gz QHBBVIZLTCCXOA-QHCPKHFHSA-N 1 1 405.521 4.313 40 0 HIABMO Cc1ncsc1C(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372587 558960152 /nfs/dbraw/zinc/96/01/52/558960152.db2.gz QVHPCZOXAZGSQS-GOSISDBHSA-N 1 1 408.531 4.283 40 0 HIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)CC3(O)CCCCC3)c2)n1 ZINC000072372669 558960416 /nfs/dbraw/zinc/96/04/16/558960416.db2.gz ZLOPOWDAILYPME-OAQYLSRUSA-N 1 1 423.561 4.289 40 0 HIABMO O=C(C[NH+]1CCC(c2ccc(Nc3ccccn3)cn2)CC1)Nc1ccc(F)cc1 ZINC000072374177 558961482 /nfs/dbraw/zinc/96/14/82/558961482.db2.gz RDNNKPHPBSIGKS-UHFFFAOYSA-N 1 1 405.477 4.177 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 ZINC000019694067 558962331 /nfs/dbraw/zinc/96/23/31/558962331.db2.gz VNZJOYDIDUYBFN-GOSISDBHSA-N 1 1 424.980 4.285 40 0 HIABMO CCc1ncc(C[NH+]2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cn1 ZINC000019703362 558967534 /nfs/dbraw/zinc/96/75/34/558967534.db2.gz XRCIYVZAERODGL-HSZRJFAPSA-N 1 1 406.574 4.080 40 0 HIABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ccncc4)C3)[nH]n2)c1 ZINC000072380045 558968139 /nfs/dbraw/zinc/96/81/39/558968139.db2.gz LLGIBKWGAKFFFF-QGZVFWFLSA-N 1 1 416.447 4.435 40 0 HIABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccncc4)C3)n[nH]2)c1 ZINC000072380045 558968142 /nfs/dbraw/zinc/96/81/42/558968142.db2.gz LLGIBKWGAKFFFF-QGZVFWFLSA-N 1 1 416.447 4.435 40 0 HIABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ccncc4)C3)n[nH]2)c1 ZINC000072380045 558968145 /nfs/dbraw/zinc/96/81/45/558968145.db2.gz LLGIBKWGAKFFFF-QGZVFWFLSA-N 1 1 416.447 4.435 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072394031 558973315 /nfs/dbraw/zinc/97/33/15/558973315.db2.gz CJDHMNRHOPEJQC-XMMPIXPASA-N 1 1 423.488 4.264 40 0 HIABMO COc1ccc(C[N@@H+](Cc2cccc(OC)c2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000072395086 558973784 /nfs/dbraw/zinc/97/37/84/558973784.db2.gz NRYSOOKRVPFHSO-PXDATVDWSA-N 1 1 422.525 4.260 40 0 HIABMO COc1ccc(C[N@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000072397154 558975659 /nfs/dbraw/zinc/97/56/59/558975659.db2.gz BPKBNWYPTICRNJ-HNNXBMFYSA-N 1 1 420.435 4.063 40 0 HIABMO CCn1cnc2sc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)c(C)c2c1=O ZINC000019717374 558980141 /nfs/dbraw/zinc/98/01/41/558980141.db2.gz ZEONBAWRSRWMGW-HNNXBMFYSA-N 1 1 424.570 4.413 40 0 HIABMO CCn1ncc(-c2cc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)on2)c1C ZINC000019719076 558983004 /nfs/dbraw/zinc/98/30/04/558983004.db2.gz VNJVRQFGKXJYQD-MRXNPFEDSA-N 1 1 407.518 4.493 40 0 HIABMO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 ZINC000585100546 559023999 /nfs/dbraw/zinc/02/39/99/559023999.db2.gz NBMNAZDJBIZEKP-JOCHJYFZSA-N 1 1 400.523 4.064 40 0 HIABMO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@]2(CC[N@H+]2C[C@H]2CCCO2)C1 ZINC000585102302 559025956 /nfs/dbraw/zinc/02/59/56/559025956.db2.gz WSCVTLVYWMQCQY-ILBGXUMGSA-N 1 1 406.526 4.338 40 0 HIABMO O=C(Nc1ccccc1F)c1ccc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000096267518 559108186 /nfs/dbraw/zinc/10/81/86/559108186.db2.gz ZJSLKBUXZKSYHQ-SFHVURJKSA-N 1 1 415.472 4.110 40 0 HIABMO Cc1noc(C)c1C[N@H+]1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585288997 559122427 /nfs/dbraw/zinc/12/24/27/559122427.db2.gz BTUAIDJGGLEZIM-CQSZACIVSA-N 1 1 407.396 4.135 40 0 HIABMO COc1ccc(NC(=O)C[NH+]2CCC(c3cccc(Cc4ccccc4)n3)CC2)cc1 ZINC000072348793 559185478 /nfs/dbraw/zinc/18/54/78/559185478.db2.gz BLHIUQREXYGUHM-UHFFFAOYSA-N 1 1 415.537 4.499 40 0 HIABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000072348794 559185483 /nfs/dbraw/zinc/18/54/83/559185483.db2.gz IXAYALDXOLNQFJ-NRFANRHFSA-N 1 1 415.537 4.499 40 0 HIABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000072348794 559185486 /nfs/dbraw/zinc/18/54/86/559185486.db2.gz IXAYALDXOLNQFJ-NRFANRHFSA-N 1 1 415.537 4.499 40 0 HIABMO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257215662 559282722 /nfs/dbraw/zinc/28/27/22/559282722.db2.gz CRCZXVWSHBPQND-UKILVPOCSA-N 1 1 408.542 4.028 40 0 HIABMO CCc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257215662 559282723 /nfs/dbraw/zinc/28/27/23/559282723.db2.gz CRCZXVWSHBPQND-UKILVPOCSA-N 1 1 408.542 4.028 40 0 HIABMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257258615 559284716 /nfs/dbraw/zinc/28/47/16/559284716.db2.gz KUTQQYSJGMARPP-HSZRJFAPSA-N 1 1 401.510 4.108 40 0 HIABMO C[N@H+]1CCC[C@@H](NC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257301717 559286058 /nfs/dbraw/zinc/28/60/58/559286058.db2.gz RZPWFQGHJMPIBB-HSZRJFAPSA-N 1 1 410.533 4.042 40 0 HIABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514289838 560031766 /nfs/dbraw/zinc/03/17/66/560031766.db2.gz PCYFZEUNANDUKK-VWNXMTODSA-N 1 1 420.459 4.349 40 0 biogenic,in-vitro HIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231324 560603072 /nfs/dbraw/zinc/60/30/72/560603072.db2.gz OOUIQNNPBHLLLJ-QFIPXVFZSA-N 1 1 418.541 4.355 40 0 HIABMO O=C(NCCSc1ccccn1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000409184502 560688896 /nfs/dbraw/zinc/68/88/96/560688896.db2.gz GWWNNPOLZHFHHB-UHFFFAOYSA-N 1 1 403.551 4.162 40 0 HIABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000005157054 568441775 /nfs/dbraw/zinc/44/17/75/568441775.db2.gz QPJHFYHVBGKHGY-VJTSUQJLSA-N 1 1 408.542 4.310 40 0 HIABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000005157052 568441797 /nfs/dbraw/zinc/44/17/97/568441797.db2.gz QPJHFYHVBGKHGY-PZUNEJSGSA-N 1 1 408.542 4.310 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773440 568497701 /nfs/dbraw/zinc/49/77/01/568497701.db2.gz HKGRMKDWBQAIJM-DYESRHJHSA-N 1 1 417.575 4.030 40 0 HIABMO CCc1nn2c(nc(C)cc2NCCC[NH+]2CCOCC2)c1-c1ccc(Cl)cc1 ZINC000026440344 568547189 /nfs/dbraw/zinc/54/71/89/568547189.db2.gz XIBOQMZANOJFTM-UHFFFAOYSA-N 1 1 413.953 4.055 40 0 HIABMO CC(C)CSc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1 ZINC000223447497 568549056 /nfs/dbraw/zinc/54/90/56/568549056.db2.gz RORIIYQYAFWKPV-OAHLLOKOSA-N 1 1 408.568 4.276 40 0 HIABMO Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000224181161 568572864 /nfs/dbraw/zinc/57/28/64/568572864.db2.gz JQEVABGEZNHQLW-GOSISDBHSA-N 1 1 404.913 4.195 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1cccc(Cl)c1 ZINC000224493470 568582685 /nfs/dbraw/zinc/58/26/85/568582685.db2.gz KTYQYSUDZPOUIG-UHFFFAOYSA-N 1 1 402.922 4.095 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224525020 568583559 /nfs/dbraw/zinc/58/35/59/568583559.db2.gz MCQNMNGKBOIJSQ-UHFFFAOYSA-N 1 1 410.558 4.349 40 0 HIABMO COc1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)c2cccnc12 ZINC000225452088 568639218 /nfs/dbraw/zinc/63/92/18/568639218.db2.gz HEOAAYRMQUJRRX-UHFFFAOYSA-N 1 1 403.511 4.224 40 0 HIABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225504137 568644152 /nfs/dbraw/zinc/64/41/52/568644152.db2.gz OGQDYFOHCOWGOO-UHFFFAOYSA-N 1 1 408.542 4.238 40 0 HIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225583570 568654252 /nfs/dbraw/zinc/65/42/52/568654252.db2.gz CDQOVMFFLQIIMO-IBGZPJMESA-N 1 1 402.608 4.063 40 0 HIABMO CCOC(=O)c1ccc(NC(=S)NCCC[N@H+]2CCCC[C@@H]2CC)cc1Cl ZINC000225583202 568654337 /nfs/dbraw/zinc/65/43/37/568654337.db2.gz RRBVCTPOYJILOO-INIZCTEOSA-N 1 1 411.999 4.458 40 0 HIABMO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225585677 568654417 /nfs/dbraw/zinc/65/44/17/568654417.db2.gz OPPPBOLWTJVULU-UHFFFAOYSA-N 1 1 418.940 4.449 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257214571 568780375 /nfs/dbraw/zinc/78/03/75/568780375.db2.gz CMMRCOSKAASDQU-NRFANRHFSA-N 1 1 424.564 4.167 40 0 HIABMO COc1ccc(-c2cncc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257232047 568785320 /nfs/dbraw/zinc/78/53/20/568785320.db2.gz GJFMJODBPJCWHN-VWLOTQADSA-N 1 1 412.493 4.274 40 0 HIABMO COc1ccc(-c2cncc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257232047 568785321 /nfs/dbraw/zinc/78/53/21/568785321.db2.gz GJFMJODBPJCWHN-VWLOTQADSA-N 1 1 412.493 4.274 40 0 HIABMO Cc1ncc(CN2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)s1 ZINC000257240178 568787437 /nfs/dbraw/zinc/78/74/37/568787437.db2.gz HSLPVBFKKOVACE-FQEVSTJZSA-N 1 1 418.950 4.023 40 0 HIABMO COc1ccc(-c2noc([C@H]3CC[N@@H+](Cc4cc5c(cc4Cl)OCO5)C3)n2)cc1 ZINC000257241301 568787929 /nfs/dbraw/zinc/78/79/29/568787929.db2.gz HXOBVYYKNZLBOW-AWEZNQCLSA-N 1 1 413.861 4.117 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257244292 568788778 /nfs/dbraw/zinc/78/87/78/568788778.db2.gz IKSDLAQWTVAYFG-KRWDZBQOSA-N 1 1 412.921 4.084 40 0 HIABMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257262733 568793694 /nfs/dbraw/zinc/79/36/94/568793694.db2.gz LMPIVYJNOLCSAQ-XMMPIXPASA-N 1 1 421.585 4.079 40 0 HIABMO CNc1cc(C)nc([C@]2(C)CCC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257291649 568802031 /nfs/dbraw/zinc/80/20/31/568802031.db2.gz QHZRSQHWFCTBLP-RUZDIDTESA-N 1 1 417.557 4.354 40 0 HIABMO Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccsc1)CC21CCN(c2ncccn2)CC1 ZINC000306126023 568888546 /nfs/dbraw/zinc/88/85/46/568888546.db2.gz DJQWHTMZHHBNHR-UHFFFAOYSA-N 1 1 422.602 4.178 40 0 HIABMO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccsc1)CC21CCN(c2ncccn2)CC1 ZINC000306126023 568888549 /nfs/dbraw/zinc/88/85/49/568888549.db2.gz DJQWHTMZHHBNHR-UHFFFAOYSA-N 1 1 422.602 4.178 40 0 HIABMO CC(C)C[N@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000306142269 568903726 /nfs/dbraw/zinc/90/37/26/568903726.db2.gz WVAJPMMZCYIEMD-NFBKMPQASA-N 1 1 413.587 4.210 40 0 HIABMO O=C(CCn1ccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198652 569058956 /nfs/dbraw/zinc/05/89/56/569058956.db2.gz FJWSWFYQJWQWGW-VAJMTYMLSA-N 1 1 403.570 4.453 40 0 HIABMO Cc1sc(-n2cccc2)nc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198668 569058968 /nfs/dbraw/zinc/05/89/68/569058968.db2.gz FRKDBYDVVFSDHF-HIUFNZKISA-N 1 1 422.598 4.277 40 0 HIABMO COc1cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1OCc1c(C)noc1C ZINC000248035200 569316152 /nfs/dbraw/zinc/31/61/52/569316152.db2.gz MIGNANVOJQHZIY-QHCPKHFHSA-N 1 1 421.541 4.368 40 0 HIABMO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000009062680 569342173 /nfs/dbraw/zinc/34/21/73/569342173.db2.gz VSVDEHCWNNGKBR-OALUTQOASA-N 1 1 406.014 4.036 40 0 HIABMO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000009062626 569342204 /nfs/dbraw/zinc/34/22/04/569342204.db2.gz NLPHLKRYGNMNDE-RTBURBONSA-N 1 1 406.014 4.036 40 0 HIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3cccc(C)c3)C2)[N@H+](C)C1 ZINC000019234972 569345344 /nfs/dbraw/zinc/34/53/44/569345344.db2.gz NVOOLVRPFINNGN-CQOQZXRMSA-N 1 1 421.585 4.175 40 0 HIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3cccc(C)c3)C2)[N@@H+](C)C1 ZINC000019234972 569345345 /nfs/dbraw/zinc/34/53/45/569345345.db2.gz NVOOLVRPFINNGN-CQOQZXRMSA-N 1 1 421.585 4.175 40 0 HIABMO C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2O1 ZINC000019498193 569345648 /nfs/dbraw/zinc/34/56/48/569345648.db2.gz WSBUQQOHDOYUOG-IOZGHAEBSA-N 1 1 419.569 4.275 40 0 HIABMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](NC(=O)C2CCC2)c2ccccn2)cc1 ZINC000019555275 569345692 /nfs/dbraw/zinc/34/56/92/569345692.db2.gz ASQMJPZVYKDROF-XUZZJYLKSA-N 1 1 407.558 4.492 40 0 HIABMO CC1CC[NH+]([C@H](C(=O)Nc2cnn(Cc3cccc(F)c3)c2)c2ccccc2)CC1 ZINC000141593520 569355099 /nfs/dbraw/zinc/35/50/99/569355099.db2.gz KBYUUZUQATVWNE-QHCPKHFHSA-N 1 1 406.505 4.482 40 0 HIABMO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020503516 575370051 /nfs/dbraw/zinc/37/00/51/575370051.db2.gz URRPTYAEYVHYSA-RBBKRZOGSA-N 1 1 413.521 4.093 40 0 biogenic,in-vitro HIABMO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c2ccccc12 ZINC000015674069 291266335 /nfs/dbraw/zinc/26/63/35/291266335.db2.gz GFXPXKXWGRUDQB-NQIIRXRSSA-N 1 1 401.466 4.206 40 0 biogenic,in-vitro HIABMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c2ccccc12 ZINC000015674069 291266338 /nfs/dbraw/zinc/26/63/38/291266338.db2.gz GFXPXKXWGRUDQB-NQIIRXRSSA-N 1 1 401.466 4.206 40 0 biogenic,in-vitro HIABMO COc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ccc1OC(C)C ZINC000044905280 522429598 /nfs/dbraw/zinc/42/95/98/522429598.db2.gz WAHONZFSQLQZGQ-FQEVSTJZSA-N 1 1 414.521 4.150 40 0 HIABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(Br)ccc1Cl ZINC000032398861 527674517 /nfs/dbraw/zinc/67/45/17/527674517.db2.gz WRBHHYWBWCHVDG-UHFFFAOYSA-N 1 1 407.739 4.281 40 0 HIABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)ccc1OCc1ccc(F)cc1 ZINC000408578558 557472658 /nfs/dbraw/zinc/47/26/58/557472658.db2.gz YSYPZGJHIYPWNX-UHFFFAOYSA-N 1 1 402.535 4.116 40 0 HIABMO CCCn1ncc2ccc([C@H]3CCC[N@@H+](Cc4ccc(-n5cccn5)cc4)C3)nc21 ZINC000019742486 558262689 /nfs/dbraw/zinc/26/26/89/558262689.db2.gz ZCPPQGMTPNVNIE-NRFANRHFSA-N 1 1 400.530 4.407 40 0 HIABMO CC(C)NC(=O)c1cc([C@H]2CC[N@@H+](Cc3cnc(C(C)C)nc3)C2)nc2ccccc21 ZINC000019761895 558276846 /nfs/dbraw/zinc/27/68/46/558276846.db2.gz MNJZWIBCTQCWHZ-IBGZPJMESA-N 1 1 417.557 4.276 40 0 HIABMO CC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3cc(C)ccc32)C1 ZINC000012088835 558323412 /nfs/dbraw/zinc/32/34/12/558323412.db2.gz QBZGFEZFIAQUHO-GCJKJVERSA-N 1 1 410.587 4.341 40 0 HIABMO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020456345 558370038 /nfs/dbraw/zinc/37/00/38/558370038.db2.gz QVZOHYHVJDUFOT-IBGZPJMESA-N 1 1 402.542 4.343 40 0 HIABMO CCOc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1OCC ZINC000022532380 558497168 /nfs/dbraw/zinc/49/71/68/558497168.db2.gz WLPZOWIJHRBQPC-UHFFFAOYSA-N 1 1 407.514 4.227 40 0 HIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cc(C)cc(C)c1-n1cccn1 ZINC000022913701 558520470 /nfs/dbraw/zinc/52/04/70/558520470.db2.gz FVHKSHORBNIDHT-DEOSSOPVSA-N 1 1 403.574 4.371 40 0 HIABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1CCc1ccccc1 ZINC000029933903 558724317 /nfs/dbraw/zinc/72/43/17/558724317.db2.gz YRELQTBRIBIQDE-UHFFFAOYSA-N 1 1 414.549 4.234 40 0 HIABMO C[C@@H](C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000036734672 558801223 /nfs/dbraw/zinc/80/12/23/558801223.db2.gz CEINOHUHQWQGIA-FPOVZHCZSA-N 1 1 416.573 4.450 40 0 HIABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)CCc2ccco2)cc1 ZINC000036743722 558802453 /nfs/dbraw/zinc/80/24/53/558802453.db2.gz YSPCWEZPJSADGP-RPWUZVMVSA-N 1 1 404.510 4.005 40 0 HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000038855896 558819259 /nfs/dbraw/zinc/81/92/59/558819259.db2.gz JRZBPBBFVARFHI-UHFFFAOYSA-N 1 1 414.465 4.015 40 0 HIABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccccc4OCc4ccccn4)C[C@H]32)nc1 ZINC000019216026 558850104 /nfs/dbraw/zinc/85/01/04/558850104.db2.gz QUXAMKAUJVPHJL-CLLDFNAGSA-N 1 1 415.537 4.094 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019234975 558854136 /nfs/dbraw/zinc/85/41/36/558854136.db2.gz HSORYKMLWOJQNU-FQEVSTJZSA-N 1 1 402.546 4.155 40 0 HIABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349233 558874840 /nfs/dbraw/zinc/87/48/40/558874840.db2.gz WNKMPKIMCFFSAZ-FUDKSRODSA-N 1 1 421.541 4.413 40 0 HIABMO O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019368809 558877540 /nfs/dbraw/zinc/87/75/40/558877540.db2.gz CYEZNGQZYQLCSG-QFIPXVFZSA-N 1 1 420.557 4.240 40 0 HIABMO CC(=O)N(C)C1CCC2(CC1)C[N@H+](Cc1cnc(C(C)C)nc1)Cc1ccccc1O2 ZINC000019454132 558891270 /nfs/dbraw/zinc/89/12/70/558891270.db2.gz SPTHZIKHMJJVOE-UHFFFAOYSA-N 1 1 422.573 4.154 40 0 HIABMO CC(=O)N(C)C1CCC2(CC1)C[N@@H+](Cc1cnc(C(C)C)nc1)Cc1ccccc1O2 ZINC000019454132 558891272 /nfs/dbraw/zinc/89/12/72/558891272.db2.gz SPTHZIKHMJJVOE-UHFFFAOYSA-N 1 1 422.573 4.154 40 0 HIABMO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)no2)cc1 ZINC000019555778 558918449 /nfs/dbraw/zinc/91/84/49/558918449.db2.gz PPVXSBQEPMXLJC-FQEVSTJZSA-N 1 1 411.546 4.373 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)C2CCCC2)c2ccccn2)C1 ZINC000072330390 558934534 /nfs/dbraw/zinc/93/45/34/558934534.db2.gz MPHKBFGYGUEKOQ-URXFXBBRSA-N 1 1 407.558 4.350 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)cc1 ZINC000072337776 558937958 /nfs/dbraw/zinc/93/79/58/558937958.db2.gz DAMWBOGYLLXOCT-FPOVZHCZSA-N 1 1 413.587 4.410 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344788 558941045 /nfs/dbraw/zinc/94/10/45/558941045.db2.gz YQMWXCOOTIFLFX-NRFANRHFSA-N 1 1 418.541 4.070 40 0 HIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351285 558947648 /nfs/dbraw/zinc/94/76/48/558947648.db2.gz YMTKDAKARQKANZ-REWPJTCUSA-N 1 1 423.605 4.297 40 0 HIABMO COc1cccc(OCC[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c1 ZINC000072352391 558948785 /nfs/dbraw/zinc/94/87/85/558948785.db2.gz DHZNIMRHMJDRIR-KRWDZBQOSA-N 1 1 424.566 4.480 40 0 HIABMO COc1cc(C[N@H+]2CC[C@@H](c3nc(-c4ccccc4C)no3)C2)cc(OC)c1OC ZINC000072369939 558956134 /nfs/dbraw/zinc/95/61/34/558956134.db2.gz HTPZHSMNOPQLKF-QGZVFWFLSA-N 1 1 409.486 4.060 40 0 HIABMO CCc1ncc(C[N@H+]2CCCC[C@H]2Cc2c3ccccc3sc2C(=O)NC)cn1 ZINC000072370484 558956826 /nfs/dbraw/zinc/95/68/26/558956826.db2.gz CKUFPWCWFAMPQH-KRWDZBQOSA-N 1 1 408.571 4.211 40 0 HIABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4c[nH]nc4C(C)(C)C)C3)[nH]n2)cc1 ZINC000072371734 558959049 /nfs/dbraw/zinc/95/90/49/558959049.db2.gz VPJONZFYAOKZBB-QGZVFWFLSA-N 1 1 423.561 4.050 40 0 HIABMO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4c[nH]nc4C(C)(C)C)C3)n[nH]2)cc1 ZINC000072371734 558959054 /nfs/dbraw/zinc/95/90/54/558959054.db2.gz VPJONZFYAOKZBB-QGZVFWFLSA-N 1 1 423.561 4.050 40 0 HIABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4c[nH]nc4C(C)(C)C)C3)n[nH]2)cc1 ZINC000072371734 558959057 /nfs/dbraw/zinc/95/90/57/558959057.db2.gz VPJONZFYAOKZBB-QGZVFWFLSA-N 1 1 423.561 4.050 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 ZINC000019689848 558959424 /nfs/dbraw/zinc/95/94/24/558959424.db2.gz NJWHOMHMRWZBAP-HXUWFJFHSA-N 1 1 410.953 4.417 40 0 HIABMO CCn1ncc(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)c1C ZINC000019693962 558961825 /nfs/dbraw/zinc/96/18/25/558961825.db2.gz VGIGGUUOYVMOPT-IBGZPJMESA-N 1 1 422.552 4.253 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694315 558962735 /nfs/dbraw/zinc/96/27/35/558962735.db2.gz IKFQWTZIZGEHST-NRFANRHFSA-N 1 1 408.525 4.118 40 0 HIABMO CNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000019697895 558965442 /nfs/dbraw/zinc/96/54/42/558965442.db2.gz VMESWOMTAJKUDL-FQEVSTJZSA-N 1 1 417.534 4.383 40 0 HIABMO CNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000019697895 558965444 /nfs/dbraw/zinc/96/54/44/558965444.db2.gz VMESWOMTAJKUDL-FQEVSTJZSA-N 1 1 417.534 4.383 40 0 HIABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000072376673 558966179 /nfs/dbraw/zinc/96/61/79/558966179.db2.gz SJFQZDRYIPGKCN-SFHVURJKSA-N 1 1 420.536 4.165 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc(C(=O)N4CCCC4)cn3)C2)c2cc(F)ccc21 ZINC000019705895 558968320 /nfs/dbraw/zinc/96/83/20/558968320.db2.gz UVZIQXAYAOWGCI-IBGZPJMESA-N 1 1 420.532 4.328 40 0 HIABMO Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000019718665 558981920 /nfs/dbraw/zinc/98/19/20/558981920.db2.gz PDFPCOZXALPGOM-HSZRJFAPSA-N 1 1 423.944 4.390 40 0 HIABMO COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)c1OC ZINC000073334475 558986276 /nfs/dbraw/zinc/98/62/76/558986276.db2.gz QUAKHYXKSRPYCZ-NFKSOIJDSA-N 1 1 411.498 4.405 40 0 HIABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585099845 559024508 /nfs/dbraw/zinc/02/45/08/559024508.db2.gz HYYXEDBHLHNGTH-RUZDIDTESA-N 1 1 407.558 4.327 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)CCOc2ccccc2Cl)C3)s1 ZINC000585102089 559025294 /nfs/dbraw/zinc/02/52/94/559025294.db2.gz QUYALQCMFKZFES-NRFANRHFSA-N 1 1 419.978 4.141 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)CCOc2ccccc2Cl)C3)s1 ZINC000585102089 559025295 /nfs/dbraw/zinc/02/52/95/559025295.db2.gz QUYALQCMFKZFES-NRFANRHFSA-N 1 1 419.978 4.141 40 0 HIABMO COc1ccc(F)c(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccc(C)o4)[C@H]3C2)c1 ZINC000585109733 559029459 /nfs/dbraw/zinc/02/94/59/559029459.db2.gz MNFAJEWWMNFBKF-AWRGLXIESA-N 1 1 420.484 4.436 40 0 HIABMO O=S1(=O)c2ccccc2[C@]2(CC[N@H+](Cc3ccsc3)C2)N1Cc1ccccc1 ZINC000096143108 559095725 /nfs/dbraw/zinc/09/57/25/559095725.db2.gz TXNHXFAXSNFSIJ-JOCHJYFZSA-N 1 1 410.564 4.054 40 0 HIABMO O=S1(=O)c2ccccc2[C@]2(CC[N@@H+](Cc3ccsc3)C2)N1Cc1ccccc1 ZINC000096143108 559095727 /nfs/dbraw/zinc/09/57/27/559095727.db2.gz TXNHXFAXSNFSIJ-JOCHJYFZSA-N 1 1 410.564 4.054 40 0 HIABMO Cc1cc(C[NH+]2CCC(c3cc4c(ncn4C(C)C)c(-c4cnn(C)c4)n3)CC2)no1 ZINC000096267208 559107981 /nfs/dbraw/zinc/10/79/81/559107981.db2.gz MYJNLGPAECBLSD-UHFFFAOYSA-N 1 1 419.533 4.089 40 0 HIABMO OCC[N@H+]1CCC[C@@H]1CCc1ccc(Nc2ncc(-c3ccc(F)cc3)s2)nc1 ZINC000585262795 559111351 /nfs/dbraw/zinc/11/13/51/559111351.db2.gz GSYCACFIJVQXJE-LJQANCHMSA-N 1 1 412.534 4.477 40 0 HIABMO O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000585263546 559112031 /nfs/dbraw/zinc/11/20/31/559112031.db2.gz CUCAVLXDUWADBA-UBFVSLLYSA-N 1 1 406.595 4.475 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585269989 559116148 /nfs/dbraw/zinc/11/61/48/559116148.db2.gz ACTNKNPGHIBDJX-JOCHJYFZSA-N 1 1 402.922 4.013 40 0 HIABMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290677 559123305 /nfs/dbraw/zinc/12/33/05/559123305.db2.gz SSSXTPJEHNEJBM-CYBMUJFWSA-N 1 1 409.437 4.295 40 0 HIABMO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)c1 ZINC000072358895 559186089 /nfs/dbraw/zinc/18/60/89/559186089.db2.gz NNHOTJMTTJNXRR-OAQYLSRUSA-N 1 1 416.525 4.360 40 0 HIABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N)ncc2-c2cccc(OC)c2)cc1 ZINC000072376774 559186556 /nfs/dbraw/zinc/18/65/56/559186556.db2.gz YBMUWGSQALLCSL-QFIPXVFZSA-N 1 1 404.514 4.470 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1 ZINC000257284729 559285520 /nfs/dbraw/zinc/28/55/20/559285520.db2.gz PEAAVTRNUXVMPR-HSZRJFAPSA-N 1 1 416.949 4.321 40 0 HIABMO C[N@H+]1CCC[C@@H](CNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)C1 ZINC000257302346 559286109 /nfs/dbraw/zinc/28/61/09/559286109.db2.gz SCOMRUDSYYBNEH-NRFANRHFSA-N 1 1 424.560 4.290 40 0 HIABMO CC[N@@H+]1CCO[C@@H](c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2)C1 ZINC000140301314 559289465 /nfs/dbraw/zinc/28/94/65/559289465.db2.gz SVIVAENOUMHBBT-JOCHJYFZSA-N 1 1 402.560 4.312 40 0 HIABMO CC[N@H+]1CCO[C@@H](c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2)C1 ZINC000140301314 559289467 /nfs/dbraw/zinc/28/94/67/559289467.db2.gz SVIVAENOUMHBBT-JOCHJYFZSA-N 1 1 402.560 4.312 40 0 HIABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)cc2c1 ZINC000000888964 560542311 /nfs/dbraw/zinc/54/23/11/560542311.db2.gz VZALVFWVDJQQKC-JOCHJYFZSA-N 1 1 420.561 4.294 40 0 HIABMO CC(C)(C)C(=O)NC1CC[NH+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000004909256 560617967 /nfs/dbraw/zinc/61/79/67/560617967.db2.gz XECBYKWBSWUPBK-UHFFFAOYSA-N 1 1 405.627 4.107 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012712277 560786289 /nfs/dbraw/zinc/78/62/89/560786289.db2.gz NKUXDUBDWYAXQF-QVKFZJNVSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012712277 560786290 /nfs/dbraw/zinc/78/62/90/560786290.db2.gz NKUXDUBDWYAXQF-QVKFZJNVSA-N 1 1 422.577 4.098 40 0 HIABMO Cc1cc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)ccc1Cl ZINC000017087850 560862979 /nfs/dbraw/zinc/86/29/79/560862979.db2.gz LBETWZCLEKOMSA-UHFFFAOYSA-N 1 1 408.329 4.071 40 0 HIABMO O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000216408807 568465036 /nfs/dbraw/zinc/46/50/36/568465036.db2.gz MUTQJDLRFVVWKQ-UHFFFAOYSA-N 1 1 411.549 4.207 40 0 HIABMO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000219421186 568491761 /nfs/dbraw/zinc/49/17/61/568491761.db2.gz LORWZAQWGPITSJ-UHFFFAOYSA-N 1 1 401.348 4.320 40 0 HIABMO O=C(CSCc1ccc(Cl)cc1F)NCCC[N@H+]1CCc2ccccc2C1 ZINC000223278750 568543762 /nfs/dbraw/zinc/54/37/62/568543762.db2.gz UJQLFEHWMNNAPP-UHFFFAOYSA-N 1 1 406.954 4.277 40 0 HIABMO Cc1cccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1C ZINC000223960332 568564499 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CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC(C)CC1 ZINC000225669098 568662264 /nfs/dbraw/zinc/66/22/64/568662264.db2.gz CRQSWVRMMIBFID-UHFFFAOYSA-N 1 1 418.578 4.102 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(Br)cc2F)C1 ZINC000225729357 568668429 /nfs/dbraw/zinc/66/84/29/568668429.db2.gz QUWBDHHIBJLCQQ-BETUJISGSA-N 1 1 402.377 4.243 40 0 HIABMO CCc1ncc(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)cn1 ZINC000257205785 568777633 /nfs/dbraw/zinc/77/76/33/568777633.db2.gz BANRMQIQVZJSRC-KRWDZBQOSA-N 1 1 408.571 4.381 40 0 HIABMO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(C)cc1)C[N@H+]2Cc1ccc(Cl)cc1 ZINC000257221902 568782557 /nfs/dbraw/zinc/78/25/57/568782557.db2.gz DRADESAQHHUQIU-DNVJHFABSA-N 1 1 412.961 4.111 40 0 HIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257228335 568784532 /nfs/dbraw/zinc/78/45/32/568784532.db2.gz FTKZRPPRXJDIET-QHCPKHFHSA-N 1 1 423.605 4.275 40 0 HIABMO COc1ccc(-c2cncc([C@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257232046 568785376 /nfs/dbraw/zinc/78/53/76/568785376.db2.gz GJFMJODBPJCWHN-RUZDIDTESA-N 1 1 412.493 4.274 40 0 HIABMO COc1ccc(-c2cncc([C@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257232046 568785378 /nfs/dbraw/zinc/78/53/78/568785378.db2.gz GJFMJODBPJCWHN-RUZDIDTESA-N 1 1 412.493 4.274 40 0 HIABMO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4ccc(F)cn4)n3)C2)c2ccccc21 ZINC000257237964 568786877 /nfs/dbraw/zinc/78/68/77/568786877.db2.gz HJABREUXGMLCPL-JOCHJYFZSA-N 1 1 417.488 4.425 40 0 HIABMO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(Nc4ccc(F)cn4)n3)C2)c2ccccc21 ZINC000257237964 568786880 /nfs/dbraw/zinc/78/68/80/568786880.db2.gz HJABREUXGMLCPL-JOCHJYFZSA-N 1 1 417.488 4.425 40 0 HIABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(-c3ccccc3OC)c2)C1 ZINC000257243568 568788446 /nfs/dbraw/zinc/78/84/46/568788446.db2.gz IHOXRTGBSXANKZ-AREMUKBSSA-N 1 1 415.537 4.037 40 0 HIABMO COc1cccc(-c2cncc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)c1 ZINC000257297507 568803657 /nfs/dbraw/zinc/80/36/57/568803657.db2.gz RHNYYLJBNYPRNG-RUZDIDTESA-N 1 1 412.493 4.274 40 0 HIABMO COc1cccc(-c2cncc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)c1 ZINC000257297507 568803660 /nfs/dbraw/zinc/80/36/60/568803660.db2.gz RHNYYLJBNYPRNG-RUZDIDTESA-N 1 1 412.493 4.274 40 0 HIABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN(CC(=O)Nc4ccccn4)C3)c2)n1 ZINC000257313488 568808257 /nfs/dbraw/zinc/80/82/57/568808257.db2.gz USSOYMACYRTFOI-QGZVFWFLSA-N 1 1 422.558 4.112 40 0 HIABMO CCn1ccnc1C[N@@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000257337886 568815337 /nfs/dbraw/zinc/81/53/37/568815337.db2.gz YUXGRVBOGWXQTC-RXVVDRJESA-N 1 1 420.479 4.077 40 0 HIABMO CCn1ccnc1C[N@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000257337886 568815338 /nfs/dbraw/zinc/81/53/38/568815338.db2.gz YUXGRVBOGWXQTC-RXVVDRJESA-N 1 1 420.479 4.077 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)n1 ZINC000306139167 568900867 /nfs/dbraw/zinc/90/08/67/568900867.db2.gz SRCRJCSUKQKNTN-OAQYLSRUSA-N 1 1 412.541 4.424 40 0 HIABMO CCc1ccc(C[N@@H+]2CCO[C@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)s1 ZINC000306142980 568904413 /nfs/dbraw/zinc/90/44/13/568904413.db2.gz XPQCBUQTFNXTOP-WIYYLYMNSA-N 1 1 419.616 4.019 40 0 HIABMO CCc1ccc(C[N@H+]2CCO[C@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)s1 ZINC000306142980 568904414 /nfs/dbraw/zinc/90/44/14/568904414.db2.gz XPQCBUQTFNXTOP-WIYYLYMNSA-N 1 1 419.616 4.019 40 0 HIABMO CCc1ccc(C[N@@H+]2CCO[C@@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)s1 ZINC000306142978 568904481 /nfs/dbraw/zinc/90/44/81/568904481.db2.gz XPQCBUQTFNXTOP-NQIIRXRSSA-N 1 1 419.616 4.019 40 0 HIABMO CCc1ccc(C[N@H+]2CCO[C@@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)s1 ZINC000306142978 568904483 /nfs/dbraw/zinc/90/44/83/568904483.db2.gz XPQCBUQTFNXTOP-NQIIRXRSSA-N 1 1 419.616 4.019 40 0 HIABMO CC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3cc(C)ccc32)C1 ZINC000012088836 569344560 /nfs/dbraw/zinc/34/45/60/569344560.db2.gz QBZGFEZFIAQUHO-XMSQKQJNSA-N 1 1 410.587 4.341 40 0 HIABMO COc1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1 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CSVZWBVCFOIFKN-IPMKNSEASA-N 1 1 418.463 4.042 40 0 HIABMO CCc1ncc(C[N@@H+]2[C@@H](c3ccc(C(F)(F)F)cc3)C[C@@H]3NC(=O)CCC[C@H]32)cn1 ZINC000019713916 569348469 /nfs/dbraw/zinc/34/84/69/569348469.db2.gz CSVZWBVCFOIFKN-IPMKNSEASA-N 1 1 418.463 4.042 40 0 HIABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cnc(C(C)C)nc2)cc1 ZINC000019713857 569348529 /nfs/dbraw/zinc/34/85/29/569348529.db2.gz NAURQKOSLQETOD-PKTZIBPZSA-N 1 1 422.573 4.154 40 0 HIABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(/C=C/c5ccc(Cl)cc5)ccc43)C2)CC1 ZINC000004237348 291264102 /nfs/dbraw/zinc/26/41/02/291264102.db2.gz MCLBMQUPBBBFLO-CTXGWYJZSA-N 1 1 423.988 4.185 40 0 biogenic,in-vitro HIABMO COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[N@@H+](C)CCO)C=C3C)o2)cc1 ZINC000030883250 291265861 /nfs/dbraw/zinc/26/58/61/291265861.db2.gz JDFCFUOYBDKQBJ-ONTIZHBOSA-N 1 1 413.562 4.066 40 0 biogenic,in-vitro HIABMO O=C(c1ccc(F)cc1)C1CC[NH+](CCCn2c(=O)[nH]c3cc(Cl)ccc32)CC1 ZINC000000538006 557018392 /nfs/dbraw/zinc/01/83/92/557018392.db2.gz DBESQBZOXMCXPV-UHFFFAOYSA-N 1 1 415.896 4.107 40 0 in-man HIABMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000007875034 557766247 /nfs/dbraw/zinc/76/62/47/557766247.db2.gz MITRAMBGDDZFHL-UHFFFAOYSA-N 1 1 417.303 4.029 40 0 HIABMO Cc1nc([C@H]2CCC[N@H+](C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000019744485 558264979 /nfs/dbraw/zinc/26/49/79/558264979.db2.gz KJXORRSDKZIFKH-IBGZPJMESA-N 1 1 422.548 4.178 40 0 HIABMO COc1ccc(NC(=O)c2cnc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)nc2C)cc1 ZINC000019766215 558278533 /nfs/dbraw/zinc/27/85/33/558278533.db2.gz YENZOGQKMLEJMM-SFHVURJKSA-N 1 1 420.488 4.175 40 0 HIABMO COc1ccc(C[N@@H+](Cc2c(C)nn(C(C)C)c2C)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187284 558346217 /nfs/dbraw/zinc/34/62/17/558346217.db2.gz ISBWKSLAMGPTHX-NRFANRHFSA-N 1 1 401.551 4.279 40 0 HIABMO COc1ccc(C[N@H+](Cc2c(C)nn(C(C)C)c2C)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187284 558346219 /nfs/dbraw/zinc/34/62/19/558346219.db2.gz ISBWKSLAMGPTHX-NRFANRHFSA-N 1 1 401.551 4.279 40 0 HIABMO CCOc1nc2ccc(N[C@@H](C)C[NH+]3CCN(CCc4ccccc4)CC3)cc2s1 ZINC000022858874 558517575 /nfs/dbraw/zinc/51/75/75/558517575.db2.gz FRGQJVICSVLKGH-IBGZPJMESA-N 1 1 424.614 4.356 40 0 HIABMO COc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(OC)cc1Cl ZINC000030942719 558745998 /nfs/dbraw/zinc/74/59/98/558745998.db2.gz IEPOVLZTEMFOFB-HNNXBMFYSA-N 1 1 406.885 4.347 40 0 HIABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000038851222 558818929 /nfs/dbraw/zinc/81/89/29/558818929.db2.gz RDMJDDAYNBJTOD-IBGZPJMESA-N 1 1 415.940 4.040 40 0 HIABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C1 ZINC000019235974 558855152 /nfs/dbraw/zinc/85/51/52/558855152.db2.gz FAPZYTDNYWNEAE-HXUWFJFHSA-N 1 1 417.557 4.301 40 0 HIABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019287748 558861031 /nfs/dbraw/zinc/86/10/31/558861031.db2.gz LOVBGCINRZABOK-GCJKJVERSA-N 1 1 419.525 4.089 40 0 HIABMO O=c1cc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292841 558864585 /nfs/dbraw/zinc/86/45/85/558864585.db2.gz OIDYERNPYHYWPE-OAHLLOKOSA-N 1 1 401.297 4.128 40 0 HIABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000019348758 558874556 /nfs/dbraw/zinc/87/45/56/558874556.db2.gz VSAPHICSNURWTC-MAOIWGCQSA-N 1 1 415.537 4.175 40 0 HIABMO c1ccc(-c2cnc3c(c2)[C@@H]([NH2+]CC2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000019374052 558880982 /nfs/dbraw/zinc/88/09/82/558880982.db2.gz AHECJRHJQGGPEH-NRFANRHFSA-N 1 1 412.522 4.413 40 0 HIABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000019401995 558883716 /nfs/dbraw/zinc/88/37/16/558883716.db2.gz RTKRAWAGNFKAGG-XZQOPNAISA-N 1 1 415.537 4.175 40 0 HIABMO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449570 558888071 /nfs/dbraw/zinc/88/80/71/558888071.db2.gz RUUAOWQNGXFYQF-AREMUKBSSA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019454313 558891228 /nfs/dbraw/zinc/89/12/28/558891228.db2.gz JNGMAKAHJIHTBV-WIYYLYMNSA-N 1 1 419.525 4.439 40 0 HIABMO CC(C)n1cc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)CCCC(=O)N3)c2ccccc21 ZINC000019454815 558891472 /nfs/dbraw/zinc/89/14/72/558891472.db2.gz FJPIQMVIBFVYHU-WIOPSUGQSA-N 1 1 402.542 4.256 40 0 HIABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000019500918 558898810 /nfs/dbraw/zinc/89/88/10/558898810.db2.gz PQCQHUOTAAACCV-IIDMSEBBSA-N 1 1 421.467 4.009 40 0 HIABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000019500918 558898811 /nfs/dbraw/zinc/89/88/11/558898811.db2.gz PQCQHUOTAAACCV-IIDMSEBBSA-N 1 1 421.467 4.009 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503354 558900578 /nfs/dbraw/zinc/90/05/78/558900578.db2.gz BFCIBOLFEWQZQS-XMMPIXPASA-N 1 1 414.553 4.057 40 0 HIABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cnc(NC)nc2)C1 ZINC000019522027 558903277 /nfs/dbraw/zinc/90/32/77/558903277.db2.gz CFPSGLQIQGFMQH-CYBMUJFWSA-N 1 1 420.439 4.015 40 0 HIABMO CCn1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c2cc(OC)ccc21 ZINC000019524742 558906130 /nfs/dbraw/zinc/90/61/30/558906130.db2.gz ISZGZLYUQCUXPA-WPUZRXDDSA-N 1 1 405.542 4.185 40 0 HIABMO CCCc1ncc(C[N@H+]2CC[C@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019525730 558907269 /nfs/dbraw/zinc/90/72/69/558907269.db2.gz IUKOCECZIMDLNJ-HNNXBMFYSA-N 1 1 418.467 4.043 40 0 HIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019528756 558910235 /nfs/dbraw/zinc/91/02/35/558910235.db2.gz MUWSPICDBWVKFS-XMMPIXPASA-N 1 1 422.598 4.110 40 0 HIABMO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019528750 558910245 /nfs/dbraw/zinc/91/02/45/558910245.db2.gz RPUDIBQAUXBSHC-AREMUKBSSA-N 1 1 414.553 4.105 40 0 HIABMO COc1ccc(-c2ncc(C[N@@H+](Cc3cccc(OC)c3)C[C@H]3CCCO3)cn2)cc1 ZINC000019558568 558920309 /nfs/dbraw/zinc/92/03/09/558920309.db2.gz XXQGPABXJQRGPG-XMMPIXPASA-N 1 1 419.525 4.342 40 0 HIABMO COc1ccc(-c2ncc(C[N@H+](Cc3cccc(OC)c3)C[C@H]3CCCO3)cn2)cc1 ZINC000019558568 558920313 /nfs/dbraw/zinc/92/03/13/558920313.db2.gz XXQGPABXJQRGPG-XMMPIXPASA-N 1 1 419.525 4.342 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c(F)c1 ZINC000072330387 558934473 /nfs/dbraw/zinc/93/44/73/558934473.db2.gz MOXYPZMOOYKHIW-DVECYGJZSA-N 1 1 413.537 4.345 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)n1 ZINC000072330418 558934525 /nfs/dbraw/zinc/93/45/25/558934525.db2.gz KMNUVGFFIYVUJY-AVRDEDQJSA-N 1 1 406.555 4.230 40 0 HIABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([C@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)C1 ZINC000072330589 558935023 /nfs/dbraw/zinc/93/50/23/558935023.db2.gz ONUZYKQENOTARR-RDHLLULRSA-N 1 1 419.569 4.233 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)cc1 ZINC000072337777 558938028 /nfs/dbraw/zinc/93/80/28/558938028.db2.gz DAMWBOGYLLXOCT-CTNGQTDRSA-N 1 1 413.587 4.410 40 0 HIABMO CN1CC[N@@H+](Cc2c[nH]c3ccccc23)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589541 558940423 /nfs/dbraw/zinc/94/04/23/558940423.db2.gz TVHCCPDAIDOGNE-HSZRJFAPSA-N 1 1 424.548 4.363 40 0 HIABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019591304 558941701 /nfs/dbraw/zinc/94/17/01/558941701.db2.gz UFIUYUOBIPGWLD-AREMUKBSSA-N 1 1 417.528 4.459 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 ZINC000072346166 558942917 /nfs/dbraw/zinc/94/29/17/558942917.db2.gz DVLIYRYKBBACCW-IBGZPJMESA-N 1 1 419.504 4.203 40 0 HIABMO COc1ccc2c(C[N@H+]3CC[C@H](c4c5ccccc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072352280 558948525 /nfs/dbraw/zinc/94/85/25/558948525.db2.gz XXBWQFCSZKIBGD-HNNXBMFYSA-N 1 1 419.550 4.490 40 0 HIABMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)N1CCCc2ccccc21 ZINC000072353012 558949631 /nfs/dbraw/zinc/94/96/31/558949631.db2.gz FIBIGNAECSTYOU-HSZRJFAPSA-N 1 1 413.525 4.337 40 0 HIABMO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)N1CCCc2ccccc21 ZINC000072353012 558949633 /nfs/dbraw/zinc/94/96/33/558949633.db2.gz FIBIGNAECSTYOU-HSZRJFAPSA-N 1 1 413.525 4.337 40 0 HIABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358543 558954117 /nfs/dbraw/zinc/95/41/17/558954117.db2.gz HYJCEOQEDFCECY-KRWDZBQOSA-N 1 1 420.479 4.210 40 0 HIABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)c1C ZINC000019690019 558959401 /nfs/dbraw/zinc/95/94/01/558959401.db2.gz YHHSYBFLTFOACW-OAQYLSRUSA-N 1 1 408.525 4.211 40 0 HIABMO CNc1cc(C(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)ccn1 ZINC000072372617 558960404 /nfs/dbraw/zinc/96/04/04/558960404.db2.gz MGTQCICPCHDGOJ-GOSISDBHSA-N 1 1 408.531 4.313 40 0 HIABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)cn1 ZINC000019691923 558961458 /nfs/dbraw/zinc/96/14/58/558961458.db2.gz FSDPCXQMDFWSLQ-XMMPIXPASA-N 1 1 420.532 4.436 40 0 HIABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)cn1 ZINC000019691923 558961459 /nfs/dbraw/zinc/96/14/59/558961459.db2.gz FSDPCXQMDFWSLQ-XMMPIXPASA-N 1 1 420.532 4.436 40 0 HIABMO CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)CCC[NH+]3CCCCCC3)ccc21 ZINC000072374545 558962288 /nfs/dbraw/zinc/96/22/88/558962288.db2.gz DOQSOZMSJQFCGQ-FQEVSTJZSA-N 1 1 412.582 4.098 40 0 HIABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+]3CC(=O)N(C)C3CCCCC3)n2)n1 ZINC000072375151 558963560 /nfs/dbraw/zinc/96/35/60/558963560.db2.gz CKSSWWSXKWSAKZ-NRFANRHFSA-N 1 1 422.577 4.160 40 0 HIABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+]3CC(=O)N(C)C3CCCCC3)n2)n1 ZINC000072375151 558963563 /nfs/dbraw/zinc/96/35/63/558963563.db2.gz CKSSWWSXKWSAKZ-NRFANRHFSA-N 1 1 422.577 4.160 40 0 HIABMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2cncc(Nc3cnccn3)n2)c(C)c1C ZINC000072376438 558965840 /nfs/dbraw/zinc/96/58/40/558965840.db2.gz RPEAVVDCIYWWKL-HXUWFJFHSA-N 1 1 404.518 4.281 40 0 HIABMO COc1cc(C)c(C[N@H+]2CCC[C@H]2c2cncc(Nc3cnccn3)n2)c(C)c1C ZINC000072376439 558965898 /nfs/dbraw/zinc/96/58/98/558965898.db2.gz RPEAVVDCIYWWKL-FQEVSTJZSA-N 1 1 404.518 4.281 40 0 HIABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393272 558972750 /nfs/dbraw/zinc/97/27/50/558972750.db2.gz XCPGWFDZGAVLEQ-IBGZPJMESA-N 1 1 415.541 4.224 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(C)c3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394055 558973321 /nfs/dbraw/zinc/97/33/21/558973321.db2.gz MEOIACIAOISYGZ-RUZDIDTESA-N 1 1 419.525 4.433 40 0 HIABMO Cc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)OCO2 ZINC000072398611 558976044 /nfs/dbraw/zinc/97/60/44/558976044.db2.gz RYMUHRDIRPYMPK-JPYJTQIMSA-N 1 1 423.557 4.234 40 0 HIABMO Cc1c(C(=O)Nc2cccc(C[N@@H+]3CCCC[C@@H]3C)c2)sc2[nH]c(C)nc(=O)c12 ZINC000019718940 558982593 /nfs/dbraw/zinc/98/25/93/558982593.db2.gz HIIKEDYVLLOYLY-ZDUSSCGKSA-N 1 1 410.543 4.228 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@]3(CCCN3C(=O)c3cc(C(C)C)on3)CC2)cc1 ZINC000585100068 559023736 /nfs/dbraw/zinc/02/37/36/559023736.db2.gz DUCXTVGJJQIMSY-DEOSSOPVSA-N 1 1 411.546 4.468 40 0 HIABMO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@@H+](Cc2cc(F)ccc2F)CC3)cs1 ZINC000585100067 559023744 /nfs/dbraw/zinc/02/37/44/559023744.db2.gz DTYOAQCGYGXTDT-OAQYLSRUSA-N 1 1 405.514 4.277 40 0 HIABMO CC(C)c1snnc1C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100415 559024032 /nfs/dbraw/zinc/02/40/32/559024032.db2.gz RSSGZFWCRSKPBL-QFIPXVFZSA-N 1 1 416.566 4.462 40 0 HIABMO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)s1 ZINC000585100613 559024200 /nfs/dbraw/zinc/02/42/00/559024200.db2.gz QAQYJPZPQIYXCL-QFIPXVFZSA-N 1 1 401.551 4.446 40 0 HIABMO O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000585109749 559029451 /nfs/dbraw/zinc/02/94/51/559029451.db2.gz OUVWQHIZPBCWCA-SONWIMMPSA-N 1 1 408.517 4.029 40 0 HIABMO C[NH+]1CCN(C(=O)c2cc3ccc(-c4cccc(Cl)c4)cn3c2-c2cocn2)CC1 ZINC000096155486 559099679 /nfs/dbraw/zinc/09/96/79/559099679.db2.gz IEXOCKPTBQQYQG-UHFFFAOYSA-N 1 1 420.900 4.302 40 0 HIABMO CC[C@H](C)C[N@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270536 559116409 /nfs/dbraw/zinc/11/64/09/559116409.db2.gz ZBRNOIREPPJJRK-WMZHIEFXSA-N 1 1 422.997 4.239 40 0 HIABMO O=C(Cc1ccccc1F)NC[C@H]1CC[C@H](c2c[nH+]cn2Cc2cccnc2)CC1 ZINC000100733681 559138747 /nfs/dbraw/zinc/13/87/47/559138747.db2.gz LRUXKHUMAWGKMP-PUZFROQSSA-N 1 1 406.505 4.098 40 0 HIABMO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216392 559169566 /nfs/dbraw/zinc/16/95/66/559169566.db2.gz JCRYJRPXXPADMB-JOCHJYFZSA-N 1 1 422.573 4.476 40 0 HIABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257221971 559283671 /nfs/dbraw/zinc/28/36/71/559283671.db2.gz DRILNYQJXJZZSW-XMMPIXPASA-N 1 1 424.560 4.433 40 0 HIABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1-c1ccccc1F ZINC000257238416 559284129 /nfs/dbraw/zinc/28/41/29/559284129.db2.gz HKXGFRXBVHTRDS-VWLOTQADSA-N 1 1 403.501 4.467 40 0 HIABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1-c1ccccc1F ZINC000257238416 559284131 /nfs/dbraw/zinc/28/41/31/559284131.db2.gz HKXGFRXBVHTRDS-VWLOTQADSA-N 1 1 403.501 4.467 40 0 HIABMO C[C@@]1(O)CC[N@H+](Cc2ccc(F)cc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289661 560031908 /nfs/dbraw/zinc/03/19/08/560031908.db2.gz AUKBXJPDLXBDGE-SONWIMMPSA-N 1 1 410.533 4.199 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@@H+](Cc2ccc(F)cc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289661 560031910 /nfs/dbraw/zinc/03/19/10/560031910.db2.gz AUKBXJPDLXBDGE-SONWIMMPSA-N 1 1 410.533 4.199 40 0 biogenic,in-vitro HIABMO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000000894511 560543568 /nfs/dbraw/zinc/54/35/68/560543568.db2.gz GNIDPOGIAYHLID-JOCHJYFZSA-N 1 1 420.561 4.212 40 0 HIABMO O=C(N[C@@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000002137394 560584533 /nfs/dbraw/zinc/58/45/33/560584533.db2.gz IZIOHWSZNUHKRR-NUJGCVRESA-N 1 1 419.780 4.394 40 0 HIABMO CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000004966418 560621723 /nfs/dbraw/zinc/62/17/23/560621723.db2.gz XUWPNOSSBVAWGF-UHFFFAOYSA-N 1 1 423.538 4.291 40 0 HIABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3F)cc2)CC1 ZINC000408845678 560646487 /nfs/dbraw/zinc/64/64/87/560646487.db2.gz YSDUSJAWEXJLAX-UHFFFAOYSA-N 1 1 419.500 4.409 40 0 HIABMO CCOCCOc1ccc(C[N@@H+](C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000585269706 560741487 /nfs/dbraw/zinc/74/14/87/560741487.db2.gz IDCAOVQTFYRGAT-QFIPXVFZSA-N 1 1 410.558 4.166 40 0 HIABMO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccn1 ZINC000006870195 560747644 /nfs/dbraw/zinc/74/76/44/560747644.db2.gz LDJMTWAGDVBKRU-UHFFFAOYSA-N 1 1 400.114 4.295 40 0 HIABMO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222596649 568519807 /nfs/dbraw/zinc/51/98/07/568519807.db2.gz PIULKOQIJVMCAY-IBGZPJMESA-N 1 1 424.932 4.261 40 0 HIABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)CC1 ZINC000224390962 568580041 /nfs/dbraw/zinc/58/00/41/568580041.db2.gz KAKWKRKDQYUJOB-UHFFFAOYSA-N 1 1 404.963 4.419 40 0 HIABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1OC ZINC000225575677 568653041 /nfs/dbraw/zinc/65/30/41/568653041.db2.gz KAEJEFMTNWMVDM-UHFFFAOYSA-N 1 1 406.885 4.347 40 0 HIABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225582270 568654005 /nfs/dbraw/zinc/65/40/05/568654005.db2.gz PGJKVMRRZDIAEH-UHFFFAOYSA-N 1 1 404.869 4.116 40 0 HIABMO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225585637 568654578 /nfs/dbraw/zinc/65/45/78/568654578.db2.gz HYJYKVVFXADLSD-UHFFFAOYSA-N 1 1 418.940 4.449 40 0 HIABMO CCc1[nH+]ccn1Cc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)ccc1OC ZINC000257308619 568807075 /nfs/dbraw/zinc/80/70/75/568807075.db2.gz TXKPZJCHOVYRCY-PCXUCGPOSA-N 1 1 410.558 4.377 40 0 HIABMO Cn1nc([C@H]2C[N@@H+](CC3CCCCC3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257321512 568810879 /nfs/dbraw/zinc/81/08/79/568810879.db2.gz WBZITFLHSOELEQ-HSZRJFAPSA-N 1 1 401.526 4.134 40 0 HIABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ccncc3)CC2)sc1COc1ccccc1 ZINC000257342887 568817102 /nfs/dbraw/zinc/81/71/02/568817102.db2.gz ZQMQSDGFFNPRSK-HSZRJFAPSA-N 1 1 409.555 4.299 40 0 HIABMO Cc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306137353 568899204 /nfs/dbraw/zinc/89/92/04/568899204.db2.gz QUDGLTYIGFJWNH-REWPJTCUSA-N 1 1 412.603 4.062 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000306144624 568906020 /nfs/dbraw/zinc/90/60/20/568906020.db2.gz ZKJFJXVTUWJDOA-DHLKQENFSA-N 1 1 424.589 4.089 40 0 HIABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000253608743 569318365 /nfs/dbraw/zinc/31/83/65/569318365.db2.gz PQCQHUOTAAACCV-HDMKZQKVSA-N 1 1 421.467 4.009 40 0 HIABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C3)cc2N1 ZINC000253608743 569318366 /nfs/dbraw/zinc/31/83/66/569318366.db2.gz PQCQHUOTAAACCV-HDMKZQKVSA-N 1 1 421.467 4.009 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c1F ZINC000019567156 569345619 /nfs/dbraw/zinc/34/56/19/569345619.db2.gz OPOBWJKZYGNXNO-WMZHIEFXSA-N 1 1 411.521 4.099 40 0 HIABMO CCN(CC)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+]1Cc1ccncc1 ZINC000019696550 569346798 /nfs/dbraw/zinc/34/67/98/569346798.db2.gz HDESBDZBYBNQFA-VWLOTQADSA-N 1 1 418.541 4.182 40 0 HIABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ccncc3)CC2)sc1CCOc1ccccc1 ZINC000019704895 569347797 /nfs/dbraw/zinc/34/77/97/569347797.db2.gz KCRUGDQGACZPEP-DEOSSOPVSA-N 1 1 423.582 4.342 40 0 HIABMO CC(C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ccccc1O2 ZINC000096111959 291261750 /nfs/dbraw/zinc/26/17/50/291261750.db2.gz PSYXNYQAUFWBSI-HKUYNNGSSA-N 1 1 420.431 4.362 40 0 biogenic,in-vitro HIABMO CC(C)[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ccccc1O2 ZINC000096111959 291261753 /nfs/dbraw/zinc/26/17/53/291261753.db2.gz PSYXNYQAUFWBSI-HKUYNNGSSA-N 1 1 420.431 4.362 40 0 biogenic,in-vitro HIABMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015674271 291267923 /nfs/dbraw/zinc/26/79/23/291267923.db2.gz SNVSMZSFQCBXBF-AEFFLSMTSA-N 1 1 419.403 4.252 40 0 biogenic,in-vitro HIABMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015674271 291267926 /nfs/dbraw/zinc/26/79/26/291267926.db2.gz SNVSMZSFQCBXBF-AEFFLSMTSA-N 1 1 419.403 4.252 40 0 biogenic,in-vitro HIABMO CCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1OCC ZINC000044882999 520992197 /nfs/dbraw/zinc/99/21/97/520992197.db2.gz BCDSTHGXHGOOMD-HXUWFJFHSA-N 1 1 414.521 4.152 40 0 HIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2)C1 ZINC000044786671 524092940 /nfs/dbraw/zinc/09/29/40/524092940.db2.gz NWWVOLSHPXKBCD-IBGZPJMESA-N 1 1 405.542 4.407 40 0 HIABMO CCc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1 ZINC000001867132 536191472 /nfs/dbraw/zinc/19/14/72/536191472.db2.gz SRZUAHUEAWKLJC-UHFFFAOYSA-N 1 1 401.938 4.062 40 0 HIABMO Cc1cccc2cc(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c12 ZINC000008582532 557795658 /nfs/dbraw/zinc/79/56/58/557795658.db2.gz XNIPTMXZNZHCBF-UHFFFAOYSA-N 1 1 420.561 4.273 40 0 HIABMO Cc1cccc2cc(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c12 ZINC000008582532 557795659 /nfs/dbraw/zinc/79/56/59/557795659.db2.gz XNIPTMXZNZHCBF-UHFFFAOYSA-N 1 1 420.561 4.273 40 0 HIABMO CCOc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ccc(C)cn1)CCC2 ZINC000012135303 558333754 /nfs/dbraw/zinc/33/37/54/558333754.db2.gz KQBNTHTZUCUHNR-XZQOPNAISA-N 1 1 406.570 4.397 40 0 HIABMO COc1ccc(C[N@H+](Cc2cccn2-c2ccccn2)C[C@@H]2CCCO2)cc1OC ZINC000012148067 558338328 /nfs/dbraw/zinc/33/83/28/558338328.db2.gz DBGDXCNPZOCJHK-NRFANRHFSA-N 1 1 407.514 4.071 40 0 HIABMO COc1ccc(C[N@@H+](Cc2c(C)nn(C(C)C)c2C)C[C@H]2CCCO2)c(OC)c1 ZINC000012187288 558346190 /nfs/dbraw/zinc/34/61/90/558346190.db2.gz ISBWKSLAMGPTHX-OAQYLSRUSA-N 1 1 401.551 4.279 40 0 HIABMO COc1ccc(C[N@H+](Cc2c(C)nn(C(C)C)c2C)C[C@H]2CCCO2)c(OC)c1 ZINC000012187288 558346192 /nfs/dbraw/zinc/34/61/92/558346192.db2.gz ISBWKSLAMGPTHX-OAQYLSRUSA-N 1 1 401.551 4.279 40 0 HIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)C1 ZINC000020456202 558369775 /nfs/dbraw/zinc/36/97/75/558369775.db2.gz BMNXFZDGJAETRF-PQCQUMGKSA-N 1 1 417.597 4.390 40 0 HIABMO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039757173 558688054 /nfs/dbraw/zinc/68/80/54/558688054.db2.gz SRJNBRBJAJGIHE-OAQYLSRUSA-N 1 1 406.014 4.323 40 0 HIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039757173 558688058 /nfs/dbraw/zinc/68/80/58/558688058.db2.gz SRJNBRBJAJGIHE-OAQYLSRUSA-N 1 1 406.014 4.323 40 0 HIABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000038851224 558818875 /nfs/dbraw/zinc/81/88/75/558818875.db2.gz RDMJDDAYNBJTOD-LJQANCHMSA-N 1 1 415.940 4.040 40 0 HIABMO CC(C)(C)c1cc2n(n1)[C@H](C(F)F)C[C@H]([C@@H]1CCC[N@@H+](Cc3ccccn3)C1)N2 ZINC000019083913 558840557 /nfs/dbraw/zinc/84/05/57/558840557.db2.gz IIJPQZPWMPBFIO-NXHRZFHOSA-N 1 1 403.521 4.478 40 0 HIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019133468 558845747 /nfs/dbraw/zinc/84/57/47/558845747.db2.gz FLFXLRFQWQQBGS-IBGZPJMESA-N 1 1 407.518 4.160 40 0 HIABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccccc4OCc4cccnc4)C[C@@H]32)nc1 ZINC000019216151 558850270 /nfs/dbraw/zinc/85/02/70/558850270.db2.gz WYAZVBKYDPKMCL-VIICAESSSA-N 1 1 415.537 4.094 40 0 HIABMO Cc1nc2c(c(N(Cc3ccco3)C[C@@H]3CCCO3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286168 558860387 /nfs/dbraw/zinc/86/03/87/558860387.db2.gz ZJBYOOHFDBFAHD-QFIPXVFZSA-N 1 1 418.541 4.122 40 0 HIABMO Cc1nc2c(c(N(Cc3ccco3)C[C@@H]3CCCO3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286168 558860388 /nfs/dbraw/zinc/86/03/88/558860388.db2.gz ZJBYOOHFDBFAHD-QFIPXVFZSA-N 1 1 418.541 4.122 40 0 HIABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019287750 558860957 /nfs/dbraw/zinc/86/09/57/558860957.db2.gz LOVBGCINRZABOK-XMSQKQJNSA-N 1 1 419.525 4.089 40 0 HIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019288226 558861245 /nfs/dbraw/zinc/86/12/45/558861245.db2.gz GCVSCZMGUWZUNO-LJQANCHMSA-N 1 1 407.489 4.310 40 0 HIABMO Fc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1F ZINC000019292724 558864438 /nfs/dbraw/zinc/86/44/38/558864438.db2.gz SOXWDZIRXNEAJQ-KRWDZBQOSA-N 1 1 424.499 4.125 40 0 HIABMO O=C(NCc1cccs1)c1cc(C2CC[NH+](Cc3cccc(F)c3F)CC2)no1 ZINC000019292714 558864462 /nfs/dbraw/zinc/86/44/62/558864462.db2.gz NIVQQTHOJNWMLU-UHFFFAOYSA-N 1 1 417.481 4.324 40 0 HIABMO O=C(c1cccnc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019337830 558870635 /nfs/dbraw/zinc/87/06/35/558870635.db2.gz UEELPABXTZHOAC-DNVJHFABSA-N 1 1 421.541 4.413 40 0 HIABMO O=C(c1cc2ccccc2o1)N1CCC(O)(C[N@H+]2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019376263 558882302 /nfs/dbraw/zinc/88/23/02/558882302.db2.gz VSYJPGFZOHFPBN-OAQYLSRUSA-N 1 1 419.525 4.022 40 0 HIABMO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449572 558887951 /nfs/dbraw/zinc/88/79/51/558887951.db2.gz RUUAOWQNGXFYQF-SANMLTNESA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449594 558888033 /nfs/dbraw/zinc/88/80/33/558888033.db2.gz XWFCVBAVSUAPMF-AREMUKBSSA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449637 558888178 /nfs/dbraw/zinc/88/81/78/558888178.db2.gz RVBLKSWCPGBPQS-SANMLTNESA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449611 558888275 /nfs/dbraw/zinc/88/82/75/558888275.db2.gz YOYOYNMDUAMRBR-AREMUKBSSA-N 1 1 414.553 4.103 40 0 HIABMO COc1cccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]2CCCO2)c1OC ZINC000057810948 558890775 /nfs/dbraw/zinc/89/07/75/558890775.db2.gz YYBXSPZPUQBQAA-NRFANRHFSA-N 1 1 407.514 4.275 40 0 HIABMO COc1cccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]2CCCO2)c1OC ZINC000057810948 558890778 /nfs/dbraw/zinc/89/07/78/558890778.db2.gz YYBXSPZPUQBQAA-NRFANRHFSA-N 1 1 407.514 4.275 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccccc2-n2cccn2)C[C@@H]2CCCO2)cc1OC ZINC000057811229 558890963 /nfs/dbraw/zinc/89/09/63/558890963.db2.gz LJUSWBIIJGNZAM-NRFANRHFSA-N 1 1 407.514 4.071 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502841 558900130 /nfs/dbraw/zinc/90/01/30/558900130.db2.gz YYKHHWLXFPRUQC-VWLOTQADSA-N 1 1 414.553 4.057 40 0 HIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019529170 558910820 /nfs/dbraw/zinc/91/08/20/558910820.db2.gz PZXNIIACPUKVFV-XMMPIXPASA-N 1 1 405.567 4.381 40 0 HIABMO COc1ccc(C[N@@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@H]2CCCO2)cc1 ZINC000019554846 558917678 /nfs/dbraw/zinc/91/76/78/558917678.db2.gz UOMUVSOGXTYNNX-XMMPIXPASA-N 1 1 419.525 4.342 40 0 HIABMO COc1ccc(C[N@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@H]2CCCO2)cc1 ZINC000019554846 558917679 /nfs/dbraw/zinc/91/76/79/558917679.db2.gz UOMUVSOGXTYNNX-XMMPIXPASA-N 1 1 419.525 4.342 40 0 HIABMO COc1ccc(-c2ccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)cc2)cc1 ZINC000019558357 558920138 /nfs/dbraw/zinc/92/01/38/558920138.db2.gz JXQBOJSPKGXIBE-UHFFFAOYSA-N 1 1 417.553 4.092 40 0 HIABMO COc1ccc(-c2ccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)cc2)cc1 ZINC000019558357 558920139 /nfs/dbraw/zinc/92/01/39/558920139.db2.gz JXQBOJSPKGXIBE-UHFFFAOYSA-N 1 1 417.553 4.092 40 0 HIABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1OCc1ccccc1 ZINC000058459156 558927959 /nfs/dbraw/zinc/92/79/59/558927959.db2.gz DRDRSDHILTWBMD-UHFFFAOYSA-N 1 1 416.521 4.028 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019580485 558936106 /nfs/dbraw/zinc/93/61/06/558936106.db2.gz XKFSTTMQVYBXBU-DEOSSOPVSA-N 1 1 405.567 4.333 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)cc1 ZINC000072341425 558939754 /nfs/dbraw/zinc/93/97/54/558939754.db2.gz KKFFWSRPMWWKBY-CTNGQTDRSA-N 1 1 413.587 4.411 40 0 HIABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3F)C2)nc(-c2ccncc2)n1 ZINC000019592274 558943312 /nfs/dbraw/zinc/94/33/12/558943312.db2.gz UXJRNIUVDZRHBR-GOSISDBHSA-N 1 1 407.493 4.108 40 0 HIABMO COCC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000019593003 558944101 /nfs/dbraw/zinc/94/41/01/558944101.db2.gz XXXGSFNCIBODNY-NRFANRHFSA-N 1 1 422.356 4.104 40 0 HIABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(OC)c3)n2)C1 ZINC000072350267 558947232 /nfs/dbraw/zinc/94/72/32/558947232.db2.gz OSIXGGKJARODOX-FQEVSTJZSA-N 1 1 402.542 4.497 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000072352334 558948459 /nfs/dbraw/zinc/94/84/59/558948459.db2.gz VKXIHLRLAANRRG-LJQANCHMSA-N 1 1 408.567 4.310 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000072352511 558948951 /nfs/dbraw/zinc/94/89/51/558948951.db2.gz MKVATFAHHPIQBV-LJQANCHMSA-N 1 1 416.587 4.231 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000072352511 558948952 /nfs/dbraw/zinc/94/89/52/558948952.db2.gz MKVATFAHHPIQBV-LJQANCHMSA-N 1 1 416.587 4.231 40 0 HIABMO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1)C1CCCCC1 ZINC000072353210 558949918 /nfs/dbraw/zinc/94/99/18/558949918.db2.gz DDKOHUKPSVQVPU-JOCHJYFZSA-N 1 1 422.577 4.322 40 0 HIABMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1)C1CCCCC1 ZINC000072353210 558949922 /nfs/dbraw/zinc/94/99/22/558949922.db2.gz DDKOHUKPSVQVPU-JOCHJYFZSA-N 1 1 422.577 4.322 40 0 HIABMO O=C(Cc1c[nH]c2ccccc12)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355179 558952640 /nfs/dbraw/zinc/95/26/40/558952640.db2.gz VCAIDFMHNWNDQS-FQEVSTJZSA-N 1 1 416.569 4.051 40 0 HIABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4cc5c(cc4Cl)OCO5)C3)n2)c1 ZINC000072369895 558956158 /nfs/dbraw/zinc/95/61/58/558956158.db2.gz LJMUMBJHJBJRDW-CQSZACIVSA-N 1 1 413.861 4.117 40 0 HIABMO COc1cccc(CN2C(=O)CCc3c(C)nc(C[N@H+](C)C4CCCCC4)nc32)c1 ZINC000072371030 558957440 /nfs/dbraw/zinc/95/74/40/558957440.db2.gz ZIPIWIVKJRXSCX-UHFFFAOYSA-N 1 1 408.546 4.038 40 0 HIABMO COc1cccc(CN2C(=O)CCc3c(C)nc(C[N@@H+](C)C4CCCCC4)nc32)c1 ZINC000072371030 558957443 /nfs/dbraw/zinc/95/74/43/558957443.db2.gz ZIPIWIVKJRXSCX-UHFFFAOYSA-N 1 1 408.546 4.038 40 0 HIABMO Cc1c(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000072371460 558958351 /nfs/dbraw/zinc/95/83/51/558958351.db2.gz HMJAYGUUKSCBRS-HXUWFJFHSA-N 1 1 407.562 4.186 40 0 HIABMO Cc1c(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000072371460 558958354 /nfs/dbraw/zinc/95/83/54/558958354.db2.gz HMJAYGUUKSCBRS-HXUWFJFHSA-N 1 1 407.562 4.186 40 0 HIABMO Cc1c(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000072371460 558958356 /nfs/dbraw/zinc/95/83/56/558958356.db2.gz HMJAYGUUKSCBRS-HXUWFJFHSA-N 1 1 407.562 4.186 40 0 HIABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)c2cccc3cccnc32)[nH+]1 ZINC000072372570 558960135 /nfs/dbraw/zinc/96/01/35/558960135.db2.gz ILRUPICXNLOJGF-NRFANRHFSA-N 1 1 410.481 4.449 40 0 HIABMO COc1cccc(Cc2cc(C)nc([C@H]3CCC[N@@H+]3CC(=O)N3CCCCC3)c2)c1 ZINC000019690795 558960346 /nfs/dbraw/zinc/96/03/46/558960346.db2.gz ALNBASAGMBUPPJ-XMMPIXPASA-N 1 1 407.558 4.139 40 0 HIABMO COc1cccc(Cc2cc(C)nc([C@H]3CCC[N@H+]3CC(=O)N3CCCCC3)c2)c1 ZINC000019690795 558960349 /nfs/dbraw/zinc/96/03/49/558960349.db2.gz ALNBASAGMBUPPJ-XMMPIXPASA-N 1 1 407.558 4.139 40 0 HIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccc(Nc3cnccn3)n1)CCC2 ZINC000072375524 558964260 /nfs/dbraw/zinc/96/42/60/558964260.db2.gz LGSMUTCWOULUDN-NRFANRHFSA-N 1 1 401.514 4.450 40 0 HIABMO COc1ccc2c(C[N@H+]3CCC[C@@H]3c3cncc(Nc4ccccn4)n3)cn(C)c2c1 ZINC000072376407 558965500 /nfs/dbraw/zinc/96/55/00/558965500.db2.gz CTSPLHJDSMGYGF-OAQYLSRUSA-N 1 1 414.513 4.453 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394043 558973204 /nfs/dbraw/zinc/97/32/04/558973204.db2.gz GLUTZJUMVBXZNV-RUZDIDTESA-N 1 1 419.525 4.433 40 0 HIABMO Cc1[nH+]ccn1[C@@H](C(=O)N1CCC(c2nc3cc(C)ccc3[nH]2)CC1)c1ccccc1 ZINC000019718822 558982400 /nfs/dbraw/zinc/98/24/00/558982400.db2.gz KGSNMXOZPGINTA-HSZRJFAPSA-N 1 1 413.525 4.372 40 0 HIABMO Cc1[nH+]ccn1[C@@H](C(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1)c1ccccc1 ZINC000019718822 558982403 /nfs/dbraw/zinc/98/24/03/558982403.db2.gz KGSNMXOZPGINTA-HSZRJFAPSA-N 1 1 413.525 4.372 40 0 HIABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)CCc2ccc(Cl)cc2)C3)s1 ZINC000585102221 559024692 /nfs/dbraw/zinc/02/46/92/559024692.db2.gz UOEVHGDVDCSRMY-NRFANRHFSA-N 1 1 403.979 4.305 40 0 HIABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)CCc2ccc(Cl)cc2)C3)s1 ZINC000585102221 559024693 /nfs/dbraw/zinc/02/46/93/559024693.db2.gz UOEVHGDVDCSRMY-NRFANRHFSA-N 1 1 403.979 4.305 40 0 HIABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@H+]4C[C@H]4CCCO4)CC3)oc21 ZINC000585100856 559025525 /nfs/dbraw/zinc/02/55/25/559025525.db2.gz ZAXHYZFIEGOQGA-NTKDMRAZSA-N 1 1 412.530 4.081 40 0 HIABMO COc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CC[C@H]32)c1 ZINC000585108013 559029779 /nfs/dbraw/zinc/02/97/79/559029779.db2.gz VQXUBBLJQLLBSV-JBJBFBLISA-N 1 1 410.945 4.185 40 0 HIABMO COc1cccc(-c2nn(CC3CC3)c3c2[C@H]2C[N@@H+](Cc4nccs4)C[C@H]2C3)c1 ZINC000096145664 559097410 /nfs/dbraw/zinc/09/74/10/559097410.db2.gz PPKXERITHVZSOW-MJGOQNOKSA-N 1 1 406.555 4.197 40 0 HIABMO c1csc(C[NH+]2CCC(c3nc4ccc(NCc5ccccc5)cn4n3)CC2)n1 ZINC000096267304 559108099 /nfs/dbraw/zinc/10/80/99/559108099.db2.gz XGINXDWVAPLKNM-UHFFFAOYSA-N 1 1 404.543 4.178 40 0 HIABMO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3N3CCCCC3)C[C@H]2c2ccc(F)cc2)N1 ZINC000585261693 559109056 /nfs/dbraw/zinc/10/90/56/559109056.db2.gz LFJDKNJLNRZHKB-JYFHCDHNSA-N 1 1 421.560 4.454 40 0 HIABMO CC[C@@H](C)C[N@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270538 559116499 /nfs/dbraw/zinc/11/64/99/559116499.db2.gz ZBRNOIREPPJJRK-XXBNENTESA-N 1 1 422.997 4.239 40 0 HIABMO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@H+]([C@H]3CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585287524 559123189 /nfs/dbraw/zinc/12/31/89/559123189.db2.gz NVWJLHGWBSAVHI-PBXDDXTRSA-N 1 1 403.607 4.393 40 0 HIABMO CC(=O)Oc1ccc(C[C@H](C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)cc1 ZINC000100376956 559134679 /nfs/dbraw/zinc/13/46/79/559134679.db2.gz WYYRXLABEPJODI-SCDRESIJSA-N 1 1 407.510 4.107 40 0 in-man HIABMO C[N@H+]1CCC[C@H](NC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257301718 559286047 /nfs/dbraw/zinc/28/60/47/559286047.db2.gz RZPWFQGHJMPIBB-QHCPKHFHSA-N 1 1 410.533 4.042 40 0 HIABMO COc1cccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)c1 ZINC000514289931 560031450 /nfs/dbraw/zinc/03/14/50/560031450.db2.gz OPBNGPDDNDPFDF-KYPHJKQUSA-N 1 1 422.569 4.068 40 0 biogenic,in-vitro HIABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)cc2c1 ZINC000000888962 560542247 /nfs/dbraw/zinc/54/22/47/560542247.db2.gz VZALVFWVDJQQKC-QFIPXVFZSA-N 1 1 420.561 4.294 40 0 HIABMO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000000926273 560556836 /nfs/dbraw/zinc/55/68/36/560556836.db2.gz FRTIUPMGQKOGGV-UHFFFAOYSA-N 1 1 422.577 4.303 40 0 HIABMO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000000926273 560556837 /nfs/dbraw/zinc/55/68/37/560556837.db2.gz FRTIUPMGQKOGGV-UHFFFAOYSA-N 1 1 422.577 4.303 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N[C@@H]4CCCC[C@@H]4C)on3)C2)c1 ZINC000409412747 560723020 /nfs/dbraw/zinc/72/30/20/560723020.db2.gz JPEBFZYLMGIAJL-HFSMHLIXSA-N 1 1 411.546 4.371 40 0 HIABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000224549103 568584564 /nfs/dbraw/zinc/58/45/64/568584564.db2.gz CFDKYMRWMNKSKQ-UHFFFAOYSA-N 1 1 404.913 4.195 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccc2ccccc2c1 ZINC000224644752 568590280 /nfs/dbraw/zinc/59/02/80/568590280.db2.gz OIWVIBUZNGBXAQ-UHFFFAOYSA-N 1 1 404.510 4.205 40 0 HIABMO Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000225064814 568611914 /nfs/dbraw/zinc/61/19/14/568611914.db2.gz BVPVXVGMCBREIN-OAHLLOKOSA-N 1 1 415.946 4.104 40 0 HIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000225300263 568628695 /nfs/dbraw/zinc/62/86/95/568628695.db2.gz GOMWQIZIVLBDJT-UHFFFAOYSA-N 1 1 421.888 4.215 40 0 HIABMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225576729 568653298 /nfs/dbraw/zinc/65/32/98/568653298.db2.gz MJRPZPPQDNYDBR-UHFFFAOYSA-N 1 1 404.913 4.059 40 0 HIABMO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225580080 568653811 /nfs/dbraw/zinc/65/38/11/568653811.db2.gz HMYZHUDNSPAWFI-UHFFFAOYSA-N 1 1 403.885 4.288 40 0 HIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225583611 568654298 /nfs/dbraw/zinc/65/42/98/568654298.db2.gz LVSNUYYWAVALMP-LJQANCHMSA-N 1 1 402.608 4.063 40 0 HIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225584689 568654627 /nfs/dbraw/zinc/65/46/27/568654627.db2.gz YVDPRQRZALPHCK-NRFANRHFSA-N 1 1 416.635 4.254 40 0 HIABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc(Cc2ccccc2F)nc1 ZINC000257235091 568786191 /nfs/dbraw/zinc/78/61/91/568786191.db2.gz GWKHWNIWJAZCME-FEVSWUGISA-N 1 1 407.533 4.289 40 0 HIABMO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(Nc4ccc(F)cn4)n3)C2)c2ccccc21 ZINC000257237965 568787103 /nfs/dbraw/zinc/78/71/03/568787103.db2.gz HJABREUXGMLCPL-QFIPXVFZSA-N 1 1 417.488 4.425 40 0 HIABMO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(Nc4ccc(F)cn4)n3)C2)c2ccccc21 ZINC000257237965 568787104 /nfs/dbraw/zinc/78/71/04/568787104.db2.gz HJABREUXGMLCPL-QFIPXVFZSA-N 1 1 417.488 4.425 40 0 HIABMO Cc1cccc(C(=O)N2[C@@H]3CCCC[C@@H]4[N@@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n1 ZINC000257238800 568787376 /nfs/dbraw/zinc/78/73/76/568787376.db2.gz HMPDPLNDWFSZOS-LSHRBJLDSA-N 1 1 403.570 4.479 40 0 HIABMO CCN(C(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)c1cccc(C)c1 ZINC000257310491 568807413 /nfs/dbraw/zinc/80/74/13/568807413.db2.gz UFHBRAKZQQVDHR-RSXGOPAZSA-N 1 1 422.569 4.188 40 0 HIABMO CCN(C(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)c1cccc(C)c1 ZINC000257310491 568807414 /nfs/dbraw/zinc/80/74/14/568807414.db2.gz UFHBRAKZQQVDHR-RSXGOPAZSA-N 1 1 422.569 4.188 40 0 HIABMO Fc1ccc(Nc2cccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)nc1 ZINC000257311051 568807567 /nfs/dbraw/zinc/80/75/67/568807567.db2.gz UHSLIJLXIYSGLY-QFIPXVFZSA-N 1 1 415.472 4.481 40 0 HIABMO Fc1ccc(Nc2cccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)nc1 ZINC000257311051 568807568 /nfs/dbraw/zinc/80/75/68/568807568.db2.gz UHSLIJLXIYSGLY-QFIPXVFZSA-N 1 1 415.472 4.481 40 0 HIABMO Fc1ccccc1OCCc1cc([C@@H]2C[N@H+](CCCc3ccccc3)CCO2)[nH]n1 ZINC000257318431 568809876 /nfs/dbraw/zinc/80/98/76/568809876.db2.gz VNWLYFDSZPOGMW-DEOSSOPVSA-N 1 1 409.505 4.176 40 0 HIABMO Fc1ccccc1OCCc1cc([C@@H]2C[N@@H+](CCCc3ccccc3)CCO2)[nH]n1 ZINC000257318431 568809879 /nfs/dbraw/zinc/80/98/79/568809879.db2.gz VNWLYFDSZPOGMW-DEOSSOPVSA-N 1 1 409.505 4.176 40 0 HIABMO C[C@H](NC(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000257318631 568809980 /nfs/dbraw/zinc/80/99/80/568809980.db2.gz VOUHGWMSRMOEPJ-IBGZPJMESA-N 1 1 415.541 4.277 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)n1 ZINC000306139166 568900836 /nfs/dbraw/zinc/90/08/36/568900836.db2.gz SRCRJCSUKQKNTN-NRFANRHFSA-N 1 1 412.541 4.424 40 0 HIABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CC=CCC4)[nH]c(=O)c3C2)CC1 ZINC000248121638 569316387 /nfs/dbraw/zinc/31/63/87/569316387.db2.gz SDETYPROWHVNFW-PJEKJXDBSA-N 1 1 424.589 4.139 40 0 HIABMO Cc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)OCO2 ZINC000019125551 569345311 /nfs/dbraw/zinc/34/53/11/569345311.db2.gz RYMUHRDIRPYMPK-FDDCHVKYSA-N 1 1 423.557 4.234 40 0 HIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C2CCC2)c2ccccn2)C1 ZINC000019133394 569345331 /nfs/dbraw/zinc/34/53/31/569345331.db2.gz DFYFKYDNKVXCGW-GBXCKJPGSA-N 1 1 407.558 4.268 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c1F ZINC000019567153 569345622 /nfs/dbraw/zinc/34/56/22/569345622.db2.gz OPOBWJKZYGNXNO-AUSIDOKSSA-N 1 1 411.521 4.099 40 0 HIABMO Cc1ccccc1CN1C(=O)CCCC[C@H]2[N@@H+](Cc3cccnc3N(C)C)CC[C@]21C ZINC000019713395 569348429 /nfs/dbraw/zinc/34/84/29/569348429.db2.gz JBUZRNRTVNVIIM-ZEQKJWHPSA-N 1 1 420.601 4.392 40 0 HIABMO CCc1ccc2[nH]c(C)c(C[N@H+]3CC[C@](Cc4cc(C(C)C)no4)(C(=O)NC)C3)c2c1 ZINC000019739238 569348623 /nfs/dbraw/zinc/34/86/23/569348623.db2.gz MMLHYGCILPAXEG-RUZDIDTESA-N 1 1 422.573 4.331 40 0 HIABMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cccnc3)c4=O)C2)c2ccccc21 ZINC000005396244 291268923 /nfs/dbraw/zinc/26/89/23/291268923.db2.gz QYQRTGBTKFLVCO-AZUAARDMSA-N 1 1 410.521 4.021 40 0 biogenic,in-vitro HIABMO O=C(C1CC1)N1CCCc2cc([C@@H](O)C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291511 132358045 /nfs/dbraw/zinc/35/80/45/132358045.db2.gz MHDWISNBDOVHFY-VWLOTQADSA-N 1 1 420.528 4.338 40 0 HIABMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000036628172 521124099 /nfs/dbraw/zinc/12/40/99/521124099.db2.gz RFNDXHKVXCKCNO-UHFFFAOYSA-N 1 1 411.509 4.146 40 0 HIABMO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044920081 521487232 /nfs/dbraw/zinc/48/72/32/521487232.db2.gz WUIXMWSISSFOIH-UHFFFAOYSA-N 1 1 404.913 4.406 40 0 HIABMO COc1ccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044906994 523938041 /nfs/dbraw/zinc/93/80/41/523938041.db2.gz NWTGZNPIHOBRFE-FQEVSTJZSA-N 1 1 400.950 4.310 40 0 HIABMO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044909284 526276093 /nfs/dbraw/zinc/27/60/93/526276093.db2.gz KYPMURBLNIXJKY-UHFFFAOYSA-N 1 1 415.375 4.410 40 0 HIABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000036719521 527011757 /nfs/dbraw/zinc/01/17/57/527011757.db2.gz DBAKZBZRXBMCFF-XLIONFOSSA-N 1 1 410.518 4.061 40 0 HIABMO Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044932539 527386040 /nfs/dbraw/zinc/38/60/40/527386040.db2.gz FDKNEXMOKPTBAJ-IBGZPJMESA-N 1 1 402.542 4.343 40 0 HIABMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002292105 557334943 /nfs/dbraw/zinc/33/49/43/557334943.db2.gz KAXRRCKEVIGITN-VOIUYBSRSA-N 1 1 411.546 4.492 40 0 HIABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000408571928 557469136 /nfs/dbraw/zinc/46/91/36/557469136.db2.gz DIMCBBYHEWUYTC-UHFFFAOYSA-N 1 1 404.963 4.241 40 0 HIABMO Cc1[nH+]ccn1CCC(=O)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000019719904 558258473 /nfs/dbraw/zinc/25/84/73/558258473.db2.gz ABAVSEFETJZVKP-UHFFFAOYSA-N 1 1 420.460 4.309 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+](CC3CC3)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 ZINC000019741427 558262077 /nfs/dbraw/zinc/26/20/77/558262077.db2.gz GYYFWDPOUZVIJS-HXUWFJFHSA-N 1 1 422.548 4.035 40 0 HIABMO Cc1nc([C@@H]2CCC[N@H+](C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000019744483 558264916 /nfs/dbraw/zinc/26/49/16/558264916.db2.gz KJXORRSDKZIFKH-LJQANCHMSA-N 1 1 422.548 4.178 40 0 HIABMO COc1cccc2cc(C[N@H+]3CC[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)oc21 ZINC000019761068 558276418 /nfs/dbraw/zinc/27/64/18/558276418.db2.gz MULNIOXRFBLRJO-INIZCTEOSA-N 1 1 401.466 4.078 40 0 HIABMO COc1ccc(C[N@H+](Cc2cn(C)c3ccccc23)C[C@@H]2CCCO2)c(OC)c1OC ZINC000012118232 558329659 /nfs/dbraw/zinc/32/96/59/558329659.db2.gz LVJFCRQXXTVITP-FQEVSTJZSA-N 1 1 424.541 4.385 40 0 HIABMO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039758068 558689383 /nfs/dbraw/zinc/68/93/83/558689383.db2.gz QOYSQYXNXBKHAY-UHFFFAOYSA-N 1 1 404.869 4.116 40 0 HIABMO CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccc(-n2cc[nH+]c2C)c(Cl)c1 ZINC000036616880 558730826 /nfs/dbraw/zinc/73/08/26/558730826.db2.gz XYJUJUKTHCBDLJ-UHFFFAOYSA-N 1 1 408.893 4.468 40 0 HIABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834459 558817599 /nfs/dbraw/zinc/81/75/99/558817599.db2.gz GXALRWRDGPAHEZ-SFHVURJKSA-N 1 1 400.906 4.367 40 0 HIABMO Cc1cccc(CSCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038851624 558818882 /nfs/dbraw/zinc/81/88/82/558818882.db2.gz MEPTWRAQGATCJF-OAQYLSRUSA-N 1 1 400.563 4.396 40 0 HIABMO COCCn1c(C)c(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c2ccccc21 ZINC000019216107 558850059 /nfs/dbraw/zinc/85/00/59/558850059.db2.gz BDGGHKYLRVNOOC-UVWWXKGLSA-N 1 1 419.569 4.029 40 0 HIABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4cccc(OCc5ccccn5)c4)C[C@@H]32)nc1 ZINC000019216142 558850249 /nfs/dbraw/zinc/85/02/49/558850249.db2.gz LTZOMVYGODXRFR-LJGDZFJRSA-N 1 1 415.537 4.094 40 0 HIABMO COc1c(C)cccc1C(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019235805 558854915 /nfs/dbraw/zinc/85/49/15/558854915.db2.gz XAJWFYUVIFRMKG-UHFFFAOYSA-N 1 1 408.542 4.281 40 0 HIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c1 ZINC000019288205 558861212 /nfs/dbraw/zinc/86/12/12/558861212.db2.gz LHIYDGRSPKDEGV-FQEVSTJZSA-N 1 1 407.489 4.310 40 0 HIABMO COc1cccc(-c2cccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)c2)c1 ZINC000019291406 558863899 /nfs/dbraw/zinc/86/38/99/558863899.db2.gz SUDCTECKTQRMFF-XZQOPNAISA-N 1 1 417.553 4.215 40 0 HIABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000019400569 558883234 /nfs/dbraw/zinc/88/32/34/558883234.db2.gz AZGMSVIINPKKRZ-WZONZLPQSA-N 1 1 422.479 4.138 40 0 HIABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019446647 558886339 /nfs/dbraw/zinc/88/63/39/558886339.db2.gz LITUWZJQYZIBIR-JPYJTQIMSA-N 1 1 401.501 4.475 40 0 HIABMO COc1cccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]2CCCO2)c1OC ZINC000057810951 558890759 /nfs/dbraw/zinc/89/07/59/558890759.db2.gz YYBXSPZPUQBQAA-OAQYLSRUSA-N 1 1 407.514 4.275 40 0 HIABMO COc1cccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]2CCCO2)c1OC ZINC000057810951 558890761 /nfs/dbraw/zinc/89/07/61/558890761.db2.gz YYBXSPZPUQBQAA-OAQYLSRUSA-N 1 1 407.514 4.275 40 0 HIABMO C[C@H]1CCC[N@@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000019496622 558895529 /nfs/dbraw/zinc/89/55/29/558895529.db2.gz CKLCCRPCZZBULQ-INIZCTEOSA-N 1 1 405.498 4.148 40 0 HIABMO C[C@H]1CCC[N@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000019496622 558895530 /nfs/dbraw/zinc/89/55/30/558895530.db2.gz CKLCCRPCZZBULQ-INIZCTEOSA-N 1 1 405.498 4.148 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502835 558900056 /nfs/dbraw/zinc/90/00/56/558900056.db2.gz HUDCVZNFSSNGBI-XMMPIXPASA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502839 558900070 /nfs/dbraw/zinc/90/00/70/558900070.db2.gz YYKHHWLXFPRUQC-RUZDIDTESA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503055 558900378 /nfs/dbraw/zinc/90/03/78/558900378.db2.gz KPELFOYWNJHPOG-XMMPIXPASA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502950 558900417 /nfs/dbraw/zinc/90/04/17/558900417.db2.gz ISCBCLWIOYSXKE-VWLOTQADSA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503275 558900544 /nfs/dbraw/zinc/90/05/44/558900544.db2.gz ZVOBJCYRJGQYTL-QHCPKHFHSA-N 1 1 414.553 4.057 40 0 HIABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cnc(NC)nc2)C1 ZINC000019522028 558903190 /nfs/dbraw/zinc/90/31/90/558903190.db2.gz CFPSGLQIQGFMQH-ZDUSSCGKSA-N 1 1 420.439 4.015 40 0 HIABMO COc1ccc(C[N@@H+](Cc2cnn(Cc3ccccc3)c2C)C[C@H]2CCCO2)cc1 ZINC000019554501 558917494 /nfs/dbraw/zinc/91/74/94/558917494.db2.gz XOGPMMUJXAXHBX-RUZDIDTESA-N 1 1 405.542 4.430 40 0 HIABMO COc1ccc(C[N@H+](Cc2cnn(Cc3ccccc3)c2C)C[C@H]2CCCO2)cc1 ZINC000019554501 558917496 /nfs/dbraw/zinc/91/74/96/558917496.db2.gz XOGPMMUJXAXHBX-RUZDIDTESA-N 1 1 405.542 4.430 40 0 HIABMO Cc1ncsc1-c1nnc([C@@H]2CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)o1 ZINC000019562747 558923316 /nfs/dbraw/zinc/92/33/16/558923316.db2.gz KXMRVDBBPFIGGD-GFCCVEGCSA-N 1 1 418.906 4.263 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019579592 558935089 /nfs/dbraw/zinc/93/50/89/558935089.db2.gz NROMFBNFSZNZBI-SANMLTNESA-N 1 1 414.553 4.057 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019580482 558936018 /nfs/dbraw/zinc/93/60/18/558936018.db2.gz XKFSTTMQVYBXBU-XMMPIXPASA-N 1 1 405.567 4.333 40 0 HIABMO Cc1nc2c(c(N(Cc3ccco3)C[C@H]3CCCO3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000072335697 558936941 /nfs/dbraw/zinc/93/69/41/558936941.db2.gz ZJBYOOHFDBFAHD-JOCHJYFZSA-N 1 1 418.541 4.122 40 0 HIABMO Cc1nc2c(c(N(Cc3ccco3)C[C@H]3CCCO3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000072335697 558936942 /nfs/dbraw/zinc/93/69/42/558936942.db2.gz ZJBYOOHFDBFAHD-JOCHJYFZSA-N 1 1 418.541 4.122 40 0 HIABMO O=c1[nH]cc(-c2ccc(Cl)cc2)cc1C[N@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000072341729 558940029 /nfs/dbraw/zinc/94/00/29/558940029.db2.gz COYPGYCTXODFFN-QFIPXVFZSA-N 1 1 409.917 4.272 40 0 HIABMO COCC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000019593004 558944123 /nfs/dbraw/zinc/94/41/23/558944123.db2.gz XXXGSFNCIBODNY-OAQYLSRUSA-N 1 1 422.356 4.104 40 0 HIABMO COc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@H]2CC[N@@H+](C)C2)cc1 ZINC000072352582 558949141 /nfs/dbraw/zinc/94/91/41/558949141.db2.gz NPNLMABFZIBAHB-KRWDZBQOSA-N 1 1 424.566 4.480 40 0 HIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)c2)cn1 ZINC000072353596 558950624 /nfs/dbraw/zinc/95/06/24/558950624.db2.gz NVICEKOGOUCCCC-QFIPXVFZSA-N 1 1 414.553 4.234 40 0 HIABMO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000072353757 558950865 /nfs/dbraw/zinc/95/08/65/558950865.db2.gz GIJDPOOHJHUNMM-SFHVURJKSA-N 1 1 412.541 4.301 40 0 HIABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2Cc2c3ccccc3sc2C(=O)NC)cn1 ZINC000072370639 558957045 /nfs/dbraw/zinc/95/70/45/558957045.db2.gz QDQBSVMRGCQXMT-GOSISDBHSA-N 1 1 410.587 4.465 40 0 HIABMO C[NH+](C)[C@H](C(=O)N1CCC(c2ccc(-c3cc[nH]n3)cn2)CC1)c1ccc(Cl)cc1 ZINC000019687825 558957386 /nfs/dbraw/zinc/95/73/86/558957386.db2.gz NVZZTLUWHRZOTN-QFIPXVFZSA-N 1 1 423.948 4.134 40 0 HIABMO Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000072371712 558958740 /nfs/dbraw/zinc/95/87/40/558958740.db2.gz NZLMFUGFKGKPFD-GOSISDBHSA-N 1 1 419.504 4.116 40 0 HIABMO Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000072371712 558958742 /nfs/dbraw/zinc/95/87/42/558958742.db2.gz NZLMFUGFKGKPFD-GOSISDBHSA-N 1 1 419.504 4.116 40 0 HIABMO Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000072371712 558958743 /nfs/dbraw/zinc/95/87/43/558958743.db2.gz NZLMFUGFKGKPFD-GOSISDBHSA-N 1 1 419.504 4.116 40 0 HIABMO COc1cccc(Cc2cc(C)nc([C@@H]3CCC[N@@H+]3CC(=O)N3CCCCC3)c2)c1 ZINC000019690794 558960260 /nfs/dbraw/zinc/96/02/60/558960260.db2.gz ALNBASAGMBUPPJ-DEOSSOPVSA-N 1 1 407.558 4.139 40 0 HIABMO COc1cccc(Cc2cc(C)nc([C@@H]3CCC[N@H+]3CC(=O)N3CCCCC3)c2)c1 ZINC000019690794 558960263 /nfs/dbraw/zinc/96/02/63/558960263.db2.gz ALNBASAGMBUPPJ-DEOSSOPVSA-N 1 1 407.558 4.139 40 0 HIABMO CCc1ncc(C[N@@H+]2CCCC[C@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072377238 558966543 /nfs/dbraw/zinc/96/65/43/558966543.db2.gz LITVDLFGKWRTFM-IBGZPJMESA-N 1 1 408.937 4.459 40 0 HIABMO CCc1ncc(C[N@H+]2CCCC[C@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072377238 558966545 /nfs/dbraw/zinc/96/65/45/558966545.db2.gz LITVDLFGKWRTFM-IBGZPJMESA-N 1 1 408.937 4.459 40 0 HIABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCOCC2)nc2c1CCCN2Cc1ccccc1 ZINC000019706230 558968705 /nfs/dbraw/zinc/96/87/05/558968705.db2.gz HEHRTPHWIUGLPP-QHCPKHFHSA-N 1 1 406.574 4.444 40 0 HIABMO O=C1CCCN1c1ccc(C[N@@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000019715955 558977314 /nfs/dbraw/zinc/97/73/14/558977314.db2.gz HJEBVBQVGJBECP-SFHVURJKSA-N 1 1 406.505 4.284 40 0 HIABMO O=C1CCCN1c1ccc(C[N@H+]2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000019715955 558977316 /nfs/dbraw/zinc/97/73/16/558977316.db2.gz HJEBVBQVGJBECP-SFHVURJKSA-N 1 1 406.505 4.284 40 0 HIABMO O=C1CCCN1c1ccc(C[N@@H+]2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000019715955 558977319 /nfs/dbraw/zinc/97/73/19/558977319.db2.gz HJEBVBQVGJBECP-SFHVURJKSA-N 1 1 406.505 4.284 40 0 HIABMO CC(C)c1snnc1C(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100414 559024022 /nfs/dbraw/zinc/02/40/22/559024022.db2.gz RSSGZFWCRSKPBL-JOCHJYFZSA-N 1 1 416.566 4.462 40 0 HIABMO Cc1ccc(CC(=O)N2CCC3(C[N@@H+](Cc4ccccc4)C[C@@]34CCOC4)CC2)cc1 ZINC000585113429 559031242 /nfs/dbraw/zinc/03/12/42/559031242.db2.gz GCGDLXXIJQJBNH-HHHXNRCGSA-N 1 1 418.581 4.069 40 0 HIABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)c1 ZINC000006170307 559067642 /nfs/dbraw/zinc/06/76/42/559067642.db2.gz PVMCCDFMXMPZMI-ZODMCCGTSA-N 1 1 424.541 4.011 40 0 HIABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)c1 ZINC000006170307 559067644 /nfs/dbraw/zinc/06/76/44/559067644.db2.gz PVMCCDFMXMPZMI-ZODMCCGTSA-N 1 1 424.541 4.011 40 0 HIABMO CC(C)(C)OC(=O)N1CCC(=O)[C@H]2[C@H](c3ccccc3)C[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000095951364 559089324 /nfs/dbraw/zinc/08/93/24/559089324.db2.gz XWUGYUJYBGMVFQ-FIXSFTCYSA-N 1 1 420.553 4.481 40 0 HIABMO C[N@@H+]1CCCN(C(=O)c2cnc(-c3noc4cc(-c5ccccc5)ccc43)s2)CC1 ZINC000096154515 559098978 /nfs/dbraw/zinc/09/89/78/559098978.db2.gz OKKTWLYAKVYUIM-UHFFFAOYSA-N 1 1 418.522 4.396 40 0 HIABMO C[N@H+]1CCCN(C(=O)c2cnc(-c3noc4cc(-c5ccccc5)ccc43)s2)CC1 ZINC000096154515 559098979 /nfs/dbraw/zinc/09/89/79/559098979.db2.gz OKKTWLYAKVYUIM-UHFFFAOYSA-N 1 1 418.522 4.396 40 0 HIABMO O=S(=O)(c1ccccc1)N1CCCC12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000096227865 559102720 /nfs/dbraw/zinc/10/27/20/559102720.db2.gz URPIEQAKXOONKM-UHFFFAOYSA-N 1 1 404.963 4.159 40 0 HIABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000585261971 559109666 /nfs/dbraw/zinc/10/96/66/559109666.db2.gz XAXHMZXDCSSXRH-RUZDIDTESA-N 1 1 403.501 4.168 40 0 HIABMO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@]1(C(=O)N(C)C)c1ccccn1 ZINC000257322361 559283053 /nfs/dbraw/zinc/28/30/53/559283053.db2.gz WFRQWNVTPKQSAZ-SANMLTNESA-N 1 1 415.537 4.337 40 0 HIABMO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@]1(C(=O)N(C)C)c1ccccn1 ZINC000257322361 559283054 /nfs/dbraw/zinc/28/30/54/559283054.db2.gz WFRQWNVTPKQSAZ-SANMLTNESA-N 1 1 415.537 4.337 40 0 HIABMO C[N@H+]1CCC[C@H]1CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257227024 559283803 /nfs/dbraw/zinc/28/38/03/559283803.db2.gz FNHNWOPRSKTHMD-DEOSSOPVSA-N 1 1 424.560 4.433 40 0 HIABMO CC(=O)N1CC[N@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000257284383 559285405 /nfs/dbraw/zinc/28/54/05/559285405.db2.gz PCLWMZXKUYWHHX-XMMPIXPASA-N 1 1 401.510 4.066 40 0 HIABMO CC(=O)N1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000257284383 559285407 /nfs/dbraw/zinc/28/54/07/559285407.db2.gz PCLWMZXKUYWHHX-XMMPIXPASA-N 1 1 401.510 4.066 40 0 HIABMO C[C@@]1(O)CC[N@@H+](CC2CCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289349 560032966 /nfs/dbraw/zinc/03/29/66/560032966.db2.gz ISNGMIDEQIEATD-QNWVGRARSA-N 1 1 416.562 4.374 40 0 biogenic,in-vitro HIABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4cccs4)C[C@H]2N(C)C3=O)c1 ZINC000514289230 560033170 /nfs/dbraw/zinc/03/31/70/560033170.db2.gz GJERHHBCUMAOJG-GGAORHGYSA-N 1 1 420.534 4.141 40 0 biogenic,in-vitro HIABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4cccs4)C[C@H]2N(C)C3=O)c1 ZINC000514289230 560033172 /nfs/dbraw/zinc/03/31/72/560033172.db2.gz GJERHHBCUMAOJG-GGAORHGYSA-N 1 1 420.534 4.141 40 0 biogenic,in-vitro HIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231193 560602948 /nfs/dbraw/zinc/60/29/48/560602948.db2.gz XXKUZWDSEWTEOD-QFIPXVFZSA-N 1 1 418.541 4.355 40 0 HIABMO Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408861860 560648116 /nfs/dbraw/zinc/64/81/16/560648116.db2.gz VBQOCZOGFKQTEK-UHFFFAOYSA-N 1 1 413.565 4.243 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000005444260 560737674 /nfs/dbraw/zinc/73/76/74/560737674.db2.gz PKMBOXDYUVSEEH-VFNWGFHPSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000005444260 560737675 /nfs/dbraw/zinc/73/76/75/560737675.db2.gz PKMBOXDYUVSEEH-VFNWGFHPSA-N 1 1 422.577 4.098 40 0 HIABMO O[C@@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022459754 560890927 /nfs/dbraw/zinc/89/09/27/560890927.db2.gz SYXODTJRUWLWOF-RUZDIDTESA-N 1 1 408.586 4.292 40 0 HIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)cc2)C1 ZINC000219241113 568488380 /nfs/dbraw/zinc/48/83/80/568488380.db2.gz TZMIAXLSTFPKOT-GOSISDBHSA-N 1 1 404.514 4.241 40 0 HIABMO Cc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222600976 568520095 /nfs/dbraw/zinc/52/00/95/568520095.db2.gz LJJBTDUEKJVSIL-HXUWFJFHSA-N 1 1 422.504 4.055 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224548198 568584584 /nfs/dbraw/zinc/58/45/84/568584584.db2.gz BTSBAOZEHIUAEO-UHFFFAOYSA-N 1 1 416.949 4.404 40 0 HIABMO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000224549857 568584744 /nfs/dbraw/zinc/58/47/44/568584744.db2.gz OMYAZVHBVKPSRA-UHFFFAOYSA-N 1 1 418.940 4.449 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1cc(C)cc(C)c1C ZINC000224614852 568588262 /nfs/dbraw/zinc/58/82/62/568588262.db2.gz HHQKIEREFNVLIT-UHFFFAOYSA-N 1 1 410.558 4.367 40 0 HIABMO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224755723 568595569 /nfs/dbraw/zinc/59/55/69/568595569.db2.gz FZZMYLAGAYRRHT-UHFFFAOYSA-N 1 1 407.341 4.075 40 0 HIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225451416 568638924 /nfs/dbraw/zinc/63/89/24/568638924.db2.gz BRZUBCMPFPSECX-UHFFFAOYSA-N 1 1 419.554 4.103 40 0 HIABMO CCOC(=O)c1cccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)c1C ZINC000225450769 568639077 /nfs/dbraw/zinc/63/90/77/568639077.db2.gz NNLOULNUYKUOBS-UHFFFAOYSA-N 1 1 408.527 4.152 40 0 HIABMO CCOC(=O)c1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)c1C ZINC000225458032 568639990 /nfs/dbraw/zinc/63/99/90/568639990.db2.gz NYBVEVIGZVMIRN-UHFFFAOYSA-N 1 1 408.527 4.152 40 0 HIABMO Fc1cc(Br)ccc1NC(=S)NCCC[N@H+]1CCc2ccccc2C1 ZINC000225743366 568670443 /nfs/dbraw/zinc/67/04/43/568670443.db2.gz CNSYSCGQTWTBKS-UHFFFAOYSA-N 1 1 422.367 4.323 40 0 HIABMO FC(F)(F)c1ccnc(Nc2nccc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000257201249 568776304 /nfs/dbraw/zinc/77/63/04/568776304.db2.gz AGWRALOILOVZJJ-HNNXBMFYSA-N 1 1 400.408 4.019 40 0 HIABMO Fc1cccc(-c2cncc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)c1 ZINC000257210371 568779153 /nfs/dbraw/zinc/77/91/53/568779153.db2.gz BUICJNCEVDDJFQ-XMMPIXPASA-N 1 1 400.457 4.404 40 0 HIABMO Fc1cccc(-c2cncc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)c1 ZINC000257210371 568779154 /nfs/dbraw/zinc/77/91/54/568779154.db2.gz BUICJNCEVDDJFQ-XMMPIXPASA-N 1 1 400.457 4.404 40 0 HIABMO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C(N)=O)cc2)nc1 ZINC000257213492 568779950 /nfs/dbraw/zinc/77/99/50/568779950.db2.gz CHUJMIYNMMXBLP-QFIPXVFZSA-N 1 1 401.514 4.011 40 0 HIABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257222865 568782677 /nfs/dbraw/zinc/78/26/77/568782677.db2.gz DUXUBXNTDJSONG-NRFANRHFSA-N 1 1 406.574 4.074 40 0 HIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257222866 568782786 /nfs/dbraw/zinc/78/27/86/568782786.db2.gz DUXUBXNTDJSONG-OAQYLSRUSA-N 1 1 406.574 4.074 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257223259 568783025 /nfs/dbraw/zinc/78/30/25/568783025.db2.gz DWOVQMCGTUWQLG-IBGZPJMESA-N 1 1 412.921 4.432 40 0 HIABMO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)c(C)c1C ZINC000257246492 568789362 /nfs/dbraw/zinc/78/93/62/568789362.db2.gz IUIGNJXFMXLMQL-JOCHJYFZSA-N 1 1 419.529 4.123 40 0 HIABMO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)c(C)c1C ZINC000257246492 568789363 /nfs/dbraw/zinc/78/93/63/568789363.db2.gz IUIGNJXFMXLMQL-JOCHJYFZSA-N 1 1 419.529 4.123 40 0 HIABMO CC[N@H+]1CCCC[C@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257262732 568793708 /nfs/dbraw/zinc/79/37/08/568793708.db2.gz LMPIVYJNOLCSAQ-DEOSSOPVSA-N 1 1 421.585 4.079 40 0 HIABMO Cc1cccc(CNc2n[nH]c3nc([C@H]4CC[N@@H+](Cc5ccccc5F)C4)ccc23)n1 ZINC000257313901 568808309 /nfs/dbraw/zinc/80/83/09/568808309.db2.gz UUPNGUMEDVEEMV-SFHVURJKSA-N 1 1 416.504 4.402 40 0 HIABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CC[N@H+](Cc5ccccc5F)C4)ccc32)n1 ZINC000257313901 568808312 /nfs/dbraw/zinc/80/83/12/568808312.db2.gz UUPNGUMEDVEEMV-SFHVURJKSA-N 1 1 416.504 4.402 40 0 HIABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CC[N@@H+](Cc5ccccc5F)C4)ccc32)n1 ZINC000257313901 568808313 /nfs/dbraw/zinc/80/83/13/568808313.db2.gz UUPNGUMEDVEEMV-SFHVURJKSA-N 1 1 416.504 4.402 40 0 HIABMO C[C@]1(O)CC[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257318185 568809810 /nfs/dbraw/zinc/80/98/10/568809810.db2.gz VMVIMEXHORCQBI-UPVQGACJSA-N 1 1 424.928 4.336 40 0 HIABMO C[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257318185 568809812 /nfs/dbraw/zinc/80/98/12/568809812.db2.gz VMVIMEXHORCQBI-UPVQGACJSA-N 1 1 424.928 4.336 40 0 HIABMO OCc1ccccc1C[N@H+](Cc1ccccc1)Cc1ccnc(N2CCCCC2)n1 ZINC000257321774 568810854 /nfs/dbraw/zinc/81/08/54/568810854.db2.gz WDEJVSYHEABDAY-UHFFFAOYSA-N 1 1 402.542 4.162 40 0 HIABMO OCc1ccccc1C[N@@H+](Cc1ccccc1)Cc1ccnc(N2CCCCC2)n1 ZINC000257321774 568810856 /nfs/dbraw/zinc/81/08/56/568810856.db2.gz WDEJVSYHEABDAY-UHFFFAOYSA-N 1 1 402.542 4.162 40 0 HIABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2-c2ccccc2OC)C1 ZINC000257337936 568815366 /nfs/dbraw/zinc/81/53/66/568815366.db2.gz YVBVGUFZZOVLLQ-AREMUKBSSA-N 1 1 415.537 4.037 40 0 HIABMO Cc1nc(CC(=O)N2CCCCC[C@@H]3[N@@H+](C)[C@H](Cc4ccccc4)C[C@@]32C)cs1 ZINC000257343033 568817022 /nfs/dbraw/zinc/81/70/22/568817022.db2.gz ZRDYPURJDODRCG-GPXNEJASSA-N 1 1 411.615 4.471 40 0 HIABMO O=C1N(Cc2cccs2)CC[C@@]12C[N@@H+](Cc1ccccc1)C[C@H]2c1nccs1 ZINC000306128665 568891474 /nfs/dbraw/zinc/89/14/74/568891474.db2.gz HHTRHXBPXRUMCB-UGKGYDQZSA-N 1 1 409.580 4.223 40 0 HIABMO Cc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306137351 568899207 /nfs/dbraw/zinc/89/92/07/568899207.db2.gz QUDGLTYIGFJWNH-NZQKXSOJSA-N 1 1 412.603 4.062 40 0 HIABMO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3ccccc3F)CC2)S1(=O)=O ZINC000306142833 568904514 /nfs/dbraw/zinc/90/45/14/568904514.db2.gz XLRSLZJBOJZXEA-UHFFFAOYSA-N 1 1 402.535 4.123 40 0 HIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000005979397 569051941 /nfs/dbraw/zinc/05/19/41/569051941.db2.gz NBSRJFBKIXNCDI-QFIPXVFZSA-N 1 1 424.589 4.165 40 0 HIABMO O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019014831 569345207 /nfs/dbraw/zinc/34/52/07/569345207.db2.gz RKILYBBUVGMIPN-GCJKJVERSA-N 1 1 424.589 4.140 40 0 HIABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000019348971 569345461 /nfs/dbraw/zinc/34/54/61/569345461.db2.gz DBAKZBZRXBMCFF-FXAWDEMLSA-N 1 1 410.518 4.061 40 0 HIABMO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cc(-c4ccccn4)n[nH]3)cc2)C1 ZINC000019711835 569348209 /nfs/dbraw/zinc/34/82/09/569348209.db2.gz OQGRVAKVEQHSMF-XXBNENTESA-N 1 1 419.529 4.286 40 0 HIABMO Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044852765 569352000 /nfs/dbraw/zinc/35/20/00/569352000.db2.gz KGMBMYVTTHILKW-QUCCMNQESA-N 1 1 400.950 4.444 40 0 HIABMO CCN(Cc1ccccc1Cl)C(=O)C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079439677 569397658 /nfs/dbraw/zinc/39/76/58/569397658.db2.gz MJRHAPKDCUOLLY-UHFFFAOYSA-N 1 1 423.985 4.020 40 0 HIABMO C[C@H](O)c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)C2 ZINC000328983165 571305277 /nfs/dbraw/zinc/30/52/77/571305277.db2.gz HEKGRXIPSDQTOE-KRWDZBQOSA-N 1 1 400.526 4.582 40 0 HIABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccc5ccccc5c3)c4=O)C2)CC1 ZINC000004237289 291263813 /nfs/dbraw/zinc/26/38/13/291263813.db2.gz LEHZTAVXSGVLIS-WMZHIEFXSA-N 1 1 413.565 4.182 40 0 biogenic,in-vitro HIABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4cn(C)c5ccccc45)C3)o2)cc1 ZINC000049170251 291263820 /nfs/dbraw/zinc/26/38/20/291263820.db2.gz DXBBLBRBUWJHGW-SFHVURJKSA-N 1 1 401.514 4.284 40 0 biogenic,in-vitro HIABMO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@H+](CCCc2ccccc2)C1 ZINC000015675109 291271075 /nfs/dbraw/zinc/27/10/75/291271075.db2.gz MUXDPXHHSCCLHD-QUCCMNQESA-N 1 1 415.896 4.193 40 0 biogenic,in-vitro HIABMO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@@H+](CCCc2ccccc2)C1 ZINC000015675109 291271076 /nfs/dbraw/zinc/27/10/76/291271076.db2.gz MUXDPXHHSCCLHD-QUCCMNQESA-N 1 1 415.896 4.193 40 0 biogenic,in-vitro HIABMO c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4cnc5ccccc5c4)n3)cn2)cn1 ZINC000035425728 291271091 /nfs/dbraw/zinc/27/10/91/291271091.db2.gz WTXSXJRZBCUAHT-NRFANRHFSA-N 1 1 423.480 4.203 40 0 biogenic,in-vitro HIABMO c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cnc5ccccc5c4)n3)cn2)cn1 ZINC000035425728 291271092 /nfs/dbraw/zinc/27/10/92/291271092.db2.gz WTXSXJRZBCUAHT-NRFANRHFSA-N 1 1 423.480 4.203 40 0 biogenic,in-vitro HIABMO COc1cc(CC[N@H+]2CCN(c3ccc(Cl)cc3)[C@@H](C)C2)cc(OC)c1OC ZINC000005336277 132305062 /nfs/dbraw/zinc/30/50/62/132305062.db2.gz NHFOXPNGAVHDLK-INIZCTEOSA-N 1 1 404.938 4.119 40 0 HIABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2Cl)CC1 ZINC000006241859 132309790 /nfs/dbraw/zinc/30/97/90/132309790.db2.gz CAPBKVNMAWWDFA-UHFFFAOYSA-N 1 1 422.356 4.461 40 0 HIABMO CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911384 521543580 /nfs/dbraw/zinc/54/35/80/521543580.db2.gz NHLXBVCOKMNBIV-SFHVURJKSA-N 1 1 400.906 4.367 40 0 HIABMO COc1ccccc1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044906605 524401460 /nfs/dbraw/zinc/40/14/60/524401460.db2.gz IZPJRKMXYQKATM-FQEVSTJZSA-N 1 1 400.950 4.310 40 0 HIABMO Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044852455 525310657 /nfs/dbraw/zinc/31/06/57/525310657.db2.gz CPXDLIPEINJTDC-AZUAARDMSA-N 1 1 400.950 4.444 40 0 HIABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000020044378 558326929 /nfs/dbraw/zinc/32/69/29/558326929.db2.gz MTZUNZYYTANINQ-UHFFFAOYSA-N 1 1 410.326 4.107 40 0 HIABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000022514319 558493779 /nfs/dbraw/zinc/49/37/79/558493779.db2.gz JBUUCXWPIDOLJX-UHFFFAOYSA-N 1 1 410.326 4.107 40 0 HIABMO O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030941575 558745644 /nfs/dbraw/zinc/74/56/44/558745644.db2.gz IDTGTHFBWUBICM-HXUWFJFHSA-N 1 1 423.532 4.303 40 0 HIABMO Cc1ccc(CSCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038837238 558818187 /nfs/dbraw/zinc/81/81/87/558818187.db2.gz BJQUHVVGLCOPLU-OAQYLSRUSA-N 1 1 400.563 4.396 40 0 HIABMO Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038853009 558819052 /nfs/dbraw/zinc/81/90/52/558819052.db2.gz YJCOINLWMJUUHF-HXUWFJFHSA-N 1 1 400.563 4.396 40 0 HIABMO O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019014688 558836743 /nfs/dbraw/zinc/83/67/43/558836743.db2.gz LKPXNJAJTBWRRF-OAQYLSRUSA-N 1 1 412.578 4.117 40 0 HIABMO O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019014828 558836965 /nfs/dbraw/zinc/83/69/65/558836965.db2.gz RKILYBBUVGMIPN-PGRDOPGGSA-N 1 1 424.589 4.140 40 0 HIABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(N3CCCC3=O)cc2)s1 ZINC000019217151 558850663 /nfs/dbraw/zinc/85/06/63/558850663.db2.gz QDCCSWNWLLGDMK-UHFFFAOYSA-N 1 1 408.571 4.472 40 0 HIABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1Cn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000019219871 558851494 /nfs/dbraw/zinc/85/14/94/558851494.db2.gz JVLODTFUUBFJCD-KRWDZBQOSA-N 1 1 418.463 4.035 40 0 HIABMO Cc1cccc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019235176 558854350 /nfs/dbraw/zinc/85/43/50/558854350.db2.gz JCBZIGYWKUFGGP-YTQUADARSA-N 1 1 423.483 4.055 40 0 HIABMO Cc1cccc([C@@H]2CN(C(=O)C3CCCC3)[C@H]3CC[N@@H+](Cc4ccncc4)C[C@@H]23)c1 ZINC000019235232 558854378 /nfs/dbraw/zinc/85/43/78/558854378.db2.gz CPBZIJFWORSUMI-SDHOMARFSA-N 1 1 403.570 4.397 40 0 HIABMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000013777272 558868456 /nfs/dbraw/zinc/86/84/56/558868456.db2.gz KZMDEOGGKBLHDW-WNSKOXEYSA-N 1 1 415.509 4.323 40 0 HIABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CC[N@H+](C4CCOCC4)C3)nn21 ZINC000019344225 558872757 /nfs/dbraw/zinc/87/27/57/558872757.db2.gz YJICQAHONGZMOX-CYBMUJFWSA-N 1 1 422.476 4.445 40 0 HIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3N3CCCCC3)C[C@H]2c2ccccn2)N1 ZINC000019349452 558875088 /nfs/dbraw/zinc/87/50/88/558875088.db2.gz AXRPLPPUGHNBSU-BKMJKUGQSA-N 1 1 418.585 4.100 40 0 HIABMO O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019368811 558877462 /nfs/dbraw/zinc/87/74/62/558877462.db2.gz CYEZNGQZYQLCSG-JOCHJYFZSA-N 1 1 420.557 4.240 40 0 HIABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449580 558888048 /nfs/dbraw/zinc/88/80/48/558888048.db2.gz FXVNZXAJICYNLF-SANMLTNESA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449602 558888169 /nfs/dbraw/zinc/88/81/69/558888169.db2.gz IVVWESLIFLCLDV-AREMUKBSSA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449627 558888188 /nfs/dbraw/zinc/88/81/88/558888188.db2.gz LSPDWHKPFODYAI-AREMUKBSSA-N 1 1 414.553 4.103 40 0 HIABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)no2)CC1 ZINC000019496744 558895655 /nfs/dbraw/zinc/89/56/55/558895655.db2.gz YXGUVGBUQVCGFZ-OAQYLSRUSA-N 1 1 418.541 4.475 40 0 HIABMO CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019529144 558910813 /nfs/dbraw/zinc/91/08/13/558910813.db2.gz TXVIREXLJIDLMN-AREMUKBSSA-N 1 1 414.553 4.023 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(NC)nc(-c4cccnc4)n3)C2)cc1 ZINC000019533238 558913022 /nfs/dbraw/zinc/91/30/22/558913022.db2.gz UACGECBIGJHZKW-FQEVSTJZSA-N 1 1 403.530 4.359 40 0 HIABMO COc1ccc(C[N@@H+](Cc2cnn(Cc3ccccc3)c2C)C[C@@H]2CCCO2)cc1 ZINC000019554498 558917473 /nfs/dbraw/zinc/91/74/73/558917473.db2.gz XOGPMMUJXAXHBX-VWLOTQADSA-N 1 1 405.542 4.430 40 0 HIABMO COc1ccc(C[N@H+](Cc2cnn(Cc3ccccc3)c2C)C[C@@H]2CCCO2)cc1 ZINC000019554498 558917475 /nfs/dbraw/zinc/91/74/75/558917475.db2.gz XOGPMMUJXAXHBX-VWLOTQADSA-N 1 1 405.542 4.430 40 0 HIABMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1CO ZINC000019559353 558920703 /nfs/dbraw/zinc/92/07/03/558920703.db2.gz KWVAUZIQFHNHQW-AREMUKBSSA-N 1 1 419.521 4.352 40 0 HIABMO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4ccncc4)C[C@@H]32)c1 ZINC000019566383 558926070 /nfs/dbraw/zinc/92/60/70/558926070.db2.gz BHOGMNOHLQQERK-UBFVSLLYSA-N 1 1 419.569 4.097 40 0 HIABMO CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019579625 558935285 /nfs/dbraw/zinc/93/52/85/558935285.db2.gz RSAUUVUCMOBFRS-SANMLTNESA-N 1 1 414.553 4.057 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019580516 558936192 /nfs/dbraw/zinc/93/61/92/558936192.db2.gz ZZZGSWUPWHEYCA-XMMPIXPASA-N 1 1 405.567 4.333 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341420 558939789 /nfs/dbraw/zinc/93/97/89/558939789.db2.gz OPTZURDZBWXKDN-FPOVZHCZSA-N 1 1 413.587 4.411 40 0 HIABMO Cc1nc([C@@H]2CCC[N@H+](C3CCCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345545 558942077 /nfs/dbraw/zinc/94/20/77/558942077.db2.gz ZGXLGYYDPFNNMR-LJQANCHMSA-N 1 1 410.537 4.366 40 0 HIABMO COc1cccc(Cc2cccc([C@H]3CCC[N@H+](CC(=O)NC4CCCCC4)C3)n2)c1 ZINC000072348875 558945440 /nfs/dbraw/zinc/94/54/40/558945440.db2.gz FCESZZOXTYJNCZ-NRFANRHFSA-N 1 1 421.585 4.309 40 0 HIABMO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+](CC(=O)NC4CCCCC4)C3)n2)c1 ZINC000072348875 558945442 /nfs/dbraw/zinc/94/54/42/558945442.db2.gz FCESZZOXTYJNCZ-NRFANRHFSA-N 1 1 421.585 4.309 40 0 HIABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3OC)n2)C1 ZINC000072350270 558947268 /nfs/dbraw/zinc/94/72/68/558947268.db2.gz WGWGIHOXHGBTCD-HXUWFJFHSA-N 1 1 402.542 4.497 40 0 HIABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3OC)n2)C1 ZINC000072350269 558947308 /nfs/dbraw/zinc/94/73/08/558947308.db2.gz WGWGIHOXHGBTCD-FQEVSTJZSA-N 1 1 402.542 4.497 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352536 558948984 /nfs/dbraw/zinc/94/89/84/558948984.db2.gz RXCNTQHRWDWSPC-OAHLLOKOSA-N 1 1 404.539 4.137 40 0 HIABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000072354234 558951637 /nfs/dbraw/zinc/95/16/37/558951637.db2.gz WQKRPTWKIUUXGT-XMMPIXPASA-N 1 1 416.569 4.339 40 0 HIABMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000019660941 558952129 /nfs/dbraw/zinc/95/21/29/558952129.db2.gz ATJWDGDMKKAXOW-JOCHJYFZSA-N 1 1 408.889 4.415 40 0 HIABMO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1)N1CCCC1 ZINC000072357655 558953505 /nfs/dbraw/zinc/95/35/05/558953505.db2.gz GTBRNWKESMQQOU-NRFANRHFSA-N 1 1 417.475 4.451 40 0 HIABMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1)N1CCCC1 ZINC000072357655 558953507 /nfs/dbraw/zinc/95/35/07/558953507.db2.gz GTBRNWKESMQQOU-NRFANRHFSA-N 1 1 417.475 4.451 40 0 HIABMO Cc1cccc(C[N@@H+](Cc2ccccc2)Cc2cc3c(cc2C)n(C)c(=O)n3C)n1 ZINC000019662993 558954096 /nfs/dbraw/zinc/95/40/96/558954096.db2.gz QGJVVADFZYERQT-UHFFFAOYSA-N 1 1 400.526 4.091 40 0 HIABMO Cc1cccc(C[N@H+](Cc2ccccc2)Cc2cc3c(cc2C)n(C)c(=O)n3C)n1 ZINC000019662993 558954098 /nfs/dbraw/zinc/95/40/98/558954098.db2.gz QGJVVADFZYERQT-UHFFFAOYSA-N 1 1 400.526 4.091 40 0 HIABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358544 558954128 /nfs/dbraw/zinc/95/41/28/558954128.db2.gz HYJCEOQEDFCECY-QGZVFWFLSA-N 1 1 420.479 4.210 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361004 558955756 /nfs/dbraw/zinc/95/57/56/558955756.db2.gz MGAPHMWQVDUZKF-MRXNPFEDSA-N 1 1 402.523 4.194 40 0 HIABMO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc5cc(OC)ccc5n4)C3)n2)c1 ZINC000072369903 558956126 /nfs/dbraw/zinc/95/61/26/558956126.db2.gz FYVVFRXBMICTMZ-GOSISDBHSA-N 1 1 416.481 4.292 40 0 HIABMO COc1cc(C[N@H+]2CC[C@H](c3nc(-c4ccccc4C)no3)C2)cc(OC)c1OC ZINC000072369940 558956163 /nfs/dbraw/zinc/95/61/63/558956163.db2.gz HTPZHSMNOPQLKF-KRWDZBQOSA-N 1 1 409.486 4.060 40 0 HIABMO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC[N@H+]3CC[C@@H](c4ccccc4)C3)c2)n1 ZINC000019666473 558956293 /nfs/dbraw/zinc/95/62/93/558956293.db2.gz ZHXWOVCGANHSSV-HXUWFJFHSA-N 1 1 422.960 4.362 40 0 HIABMO COc1cccc(CN2C(=O)CCc3c(C)nc(C[N@H+](C)CC4CCCCC4)nc32)c1 ZINC000072371027 558957377 /nfs/dbraw/zinc/95/73/77/558957377.db2.gz GLWHNLDSZAYUDS-UHFFFAOYSA-N 1 1 422.573 4.285 40 0 HIABMO COc1cccc(CN2C(=O)CCc3c(C)nc(C[N@@H+](C)CC4CCCCC4)nc32)c1 ZINC000072371027 558957380 /nfs/dbraw/zinc/95/73/80/558957380.db2.gz GLWHNLDSZAYUDS-UHFFFAOYSA-N 1 1 422.573 4.285 40 0 HIABMO Cc1nc([C@H]2CCC[N@H+](C3CCCC3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000072371923 558959328 /nfs/dbraw/zinc/95/93/28/558959328.db2.gz RNDGDWXQWUJVBE-NRFANRHFSA-N 1 1 418.585 4.429 40 0 HIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3cccc(OC)c3)c2)cn1 ZINC000019691034 558960571 /nfs/dbraw/zinc/96/05/71/558960571.db2.gz RQZFNNNNQBVSSO-DEOSSOPVSA-N 1 1 416.525 4.157 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000019694254 558962528 /nfs/dbraw/zinc/96/25/28/558962528.db2.gz SKSZINHONIQRGI-IBGZPJMESA-N 1 1 424.980 4.459 40 0 HIABMO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ccncc1 ZINC000072380041 558967962 /nfs/dbraw/zinc/96/79/62/558967962.db2.gz LQFSZDFAJRZIJO-IBGZPJMESA-N 1 1 423.582 4.006 40 0 HIABMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2-c2onc(C)c2C)c(OC)c1 ZINC000072390718 558970958 /nfs/dbraw/zinc/97/09/58/558970958.db2.gz PNXGGQCPOQJIAP-HXUWFJFHSA-N 1 1 408.502 4.411 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2-c2onc(C)c2C)c(OC)c1 ZINC000072390718 558970962 /nfs/dbraw/zinc/97/09/62/558970962.db2.gz PNXGGQCPOQJIAP-HXUWFJFHSA-N 1 1 408.502 4.411 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394066 558973222 /nfs/dbraw/zinc/97/32/22/558973222.db2.gz ULKAZFKCCZPOHM-VWLOTQADSA-N 1 1 419.525 4.433 40 0 HIABMO Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019713981 558973676 /nfs/dbraw/zinc/97/36/76/558973676.db2.gz BDPVHQAUJPKPQO-UHFFFAOYSA-N 1 1 410.905 4.047 40 0 HIABMO Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019713981 558973678 /nfs/dbraw/zinc/97/36/78/558973678.db2.gz BDPVHQAUJPKPQO-UHFFFAOYSA-N 1 1 410.905 4.047 40 0 HIABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)c1 ZINC000019715337 558976117 /nfs/dbraw/zinc/97/61/17/558976117.db2.gz JIZQVRCGXYNUQX-UHFFFAOYSA-N 1 1 422.439 4.350 40 0 HIABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCCN2C(=O)COc2ccccc2C)CC1 ZINC000585099965 559024466 /nfs/dbraw/zinc/02/44/66/559024466.db2.gz BKKAUGNJXBSVRQ-XMMPIXPASA-N 1 1 411.546 4.026 40 0 HIABMO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(F)cc1F)CC2 ZINC000585099842 559024497 /nfs/dbraw/zinc/02/44/97/559024497.db2.gz GZTZYLXJSVOXDJ-QFIPXVFZSA-N 1 1 403.473 4.117 40 0 HIABMO Cc1noc(C)c1C[N@@H+]1CC[C@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585102336 559026166 /nfs/dbraw/zinc/02/61/66/559026166.db2.gz XFZHGHISLNQBKG-QFIPXVFZSA-N 1 1 401.938 4.145 40 0 HIABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585102336 559026168 /nfs/dbraw/zinc/02/61/68/559026168.db2.gz XFZHGHISLNQBKG-QFIPXVFZSA-N 1 1 401.938 4.145 40 0 HIABMO COc1cccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000096494910 559110593 /nfs/dbraw/zinc/11/05/93/559110593.db2.gz LRUCSSFROVIQMR-UHFFFAOYSA-N 1 1 416.521 4.008 40 0 HIABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000072358899 559186074 /nfs/dbraw/zinc/18/60/74/559186074.db2.gz GRHPAZDGEFISDK-QFIPXVFZSA-N 1 1 400.526 4.055 40 0 HIABMO c1cn2cc(C[C@H]3COCC[N@@H+](Cc4ccccc4Oc4ccccc4)C3)ncc2n1 ZINC000257204627 559282347 /nfs/dbraw/zinc/28/23/47/559282347.db2.gz AVOQZMPONWEHGW-HXUWFJFHSA-N 1 1 414.509 4.213 40 0 HIABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1-c1ccccc1F ZINC000257238415 559284107 /nfs/dbraw/zinc/28/41/07/559284107.db2.gz HKXGFRXBVHTRDS-RUZDIDTESA-N 1 1 403.501 4.467 40 0 HIABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1-c1ccccc1F ZINC000257238415 559284109 /nfs/dbraw/zinc/28/41/09/559284109.db2.gz HKXGFRXBVHTRDS-RUZDIDTESA-N 1 1 403.501 4.467 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000909169 560545852 /nfs/dbraw/zinc/54/58/52/560545852.db2.gz JJLHYZBWRISQRD-NRFANRHFSA-N 1 1 422.577 4.242 40 0 HIABMO Fc1ccc(Cn2nnnc2[C@@H](c2ccc3ncccc3c2)[NH+]2CCCCCC2)cc1 ZINC000004230705 560602804 /nfs/dbraw/zinc/60/28/04/560602804.db2.gz AQHGAOLDHAVXDT-HSZRJFAPSA-N 1 1 416.504 4.374 40 0 HIABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000004847549 560609387 /nfs/dbraw/zinc/60/93/87/560609387.db2.gz LKBXTJXIQSFIIF-FQEVSTJZSA-N 1 1 422.577 4.474 40 0 HIABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000004847549 560609388 /nfs/dbraw/zinc/60/93/88/560609388.db2.gz LKBXTJXIQSFIIF-FQEVSTJZSA-N 1 1 422.577 4.474 40 0 HIABMO C=C1[NH+]=C(SCCCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990499 560662198 /nfs/dbraw/zinc/66/21/98/560662198.db2.gz NJCRUWCSPAXHFZ-GOSISDBHSA-N 1 1 422.547 4.083 40 0 HIABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(C[NH+]3CCc4ccccc4C3)coc1=O)C2 ZINC000100796370 560726566 /nfs/dbraw/zinc/72/65/66/560726566.db2.gz XXDKRXKNQDZGPO-QFQXNSOFSA-N 1 1 422.569 4.304 40 0 HIABMO C[C@@]12C[C@@H](CC(C)(C)C1)[NH+](Cc1c([O-])c(C[N@@H+]3CCc4ccccc4C3)coc1=O)C2 ZINC000100796370 560726568 /nfs/dbraw/zinc/72/65/68/560726568.db2.gz XXDKRXKNQDZGPO-QFQXNSOFSA-N 1 1 422.569 4.304 40 0 HIABMO C[C@@]12C[C@@H](CC(C)(C)C1)[NH+](Cc1c([O-])c(C[N@H+]3CCc4ccccc4C3)coc1=O)C2 ZINC000100796370 560726569 /nfs/dbraw/zinc/72/65/69/560726569.db2.gz XXDKRXKNQDZGPO-QFQXNSOFSA-N 1 1 422.569 4.304 40 0 HIABMO CC[NH+]1CCN(c2nc3c(c(-c4ccccc4Cl)n2)C(=O)c2ccccc2-3)CC1 ZINC000017083078 560862321 /nfs/dbraw/zinc/86/23/21/560862321.db2.gz POBXWLFYMHPTGD-UHFFFAOYSA-N 1 1 404.901 4.150 40 0 HIABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000216371024 568464767 /nfs/dbraw/zinc/46/47/67/568464767.db2.gz HXGGTBRRUDNOFH-IBGZPJMESA-N 1 1 402.560 4.412 40 0 HIABMO CCOc1c(Br)cc(Br)cc1C[NH2+]CCN(CC)CC ZINC000022074952 568473956 /nfs/dbraw/zinc/47/39/56/568473956.db2.gz XREMONJGIQJIFG-UHFFFAOYSA-N 1 1 408.178 4.042 40 0 HIABMO O=C(NCc1ccc2c(c1)OCO2)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000219419082 568491555 /nfs/dbraw/zinc/49/15/55/568491555.db2.gz ANOIXPWHADOXBM-UHFFFAOYSA-N 1 1 421.324 4.251 40 0 HIABMO Cc1ccc(-c2noc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)n2)cc1 ZINC000222595709 568519855 /nfs/dbraw/zinc/51/98/55/568519855.db2.gz ZFNFURAASQYDSQ-IBGZPJMESA-N 1 1 424.932 4.227 40 0 HIABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224514068 568583256 /nfs/dbraw/zinc/58/32/56/568583256.db2.gz JGGNGBPUEMRREJ-UHFFFAOYSA-N 1 1 410.558 4.349 40 0 HIABMO CCCCOCc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC ZINC000224730173 568594005 /nfs/dbraw/zinc/59/40/05/568594005.db2.gz CMMTUVUQGXRIRR-UHFFFAOYSA-N 1 1 410.558 4.360 40 0 HIABMO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739915 568594529 /nfs/dbraw/zinc/59/45/29/568594529.db2.gz VZAAEELHHJKMTN-OAQYLSRUSA-N 1 1 418.990 4.359 40 0 HIABMO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739503 568594536 /nfs/dbraw/zinc/59/45/36/568594536.db2.gz ZICUHIGZESDRBN-VWLOTQADSA-N 1 1 418.537 4.146 40 0 HIABMO CCSc1nnc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)s1 ZINC000225213611 568623830 /nfs/dbraw/zinc/62/38/30/568623830.db2.gz XQJJOEIEZODQBI-UHFFFAOYSA-N 1 1 410.568 4.461 40 0 HIABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1OCC ZINC000095534576 568635892 /nfs/dbraw/zinc/63/58/92/568635892.db2.gz GFCXKEDPRREQCW-KRWDZBQOSA-N 1 1 406.408 4.336 40 0 HIABMO CCOC(=O)C1(c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000225901842 568684710 /nfs/dbraw/zinc/68/47/10/568684710.db2.gz GEOCPDZEXWCOHC-FQEVSTJZSA-N 1 1 406.526 4.132 40 0 HIABMO CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)n[nH]1 ZINC000257199650 568775907 /nfs/dbraw/zinc/77/59/07/568775907.db2.gz AAGZTNYSNPCWOH-NCDPBEIOSA-N 1 1 420.601 4.499 40 0 HIABMO COc1ccccc1Cc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)ccn1 ZINC000257210233 568779238 /nfs/dbraw/zinc/77/92/38/568779238.db2.gz BTSOVVZLORIAEJ-FHDZUBCWSA-N 1 1 419.569 4.158 40 0 HIABMO O=C1O[C@]2(CN1c1cccc(Cl)c1)COCC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000257218738 568781557 /nfs/dbraw/zinc/78/15/57/568781557.db2.gz DEGPPRBAQPPBCH-HSZRJFAPSA-N 1 1 423.900 4.116 40 0 HIABMO CCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)n(C)n1 ZINC000257286105 568800352 /nfs/dbraw/zinc/80/03/52/568800352.db2.gz PKHJIRLAIKXMFS-NCDPBEIOSA-N 1 1 420.601 4.071 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257298944 568804291 /nfs/dbraw/zinc/80/42/91/568804291.db2.gz RNZSLYXAQLMHEA-OAQYLSRUSA-N 1 1 424.564 4.167 40 0 HIABMO Cn1nc([C@@H]2C[N@@H+](CC3CCCCC3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257321513 568810846 /nfs/dbraw/zinc/81/08/46/568810846.db2.gz WBZITFLHSOELEQ-QHCPKHFHSA-N 1 1 401.526 4.134 40 0 HIABMO COc1cc(C[N@@H+]2CCO[C@]3(CO[C@@H](c4ccccc4)[C@H](C(C)C)C3)C2)ccc1O ZINC000257331445 568813656 /nfs/dbraw/zinc/81/36/56/568813656.db2.gz XSWJSFCOURXAJP-TUSQITKMSA-N 1 1 411.542 4.406 40 0 HIABMO COc1cc(C[N@H+]2CCO[C@]3(CO[C@@H](c4ccccc4)[C@H](C(C)C)C3)C2)ccc1O ZINC000257331445 568813657 /nfs/dbraw/zinc/81/36/57/568813657.db2.gz XSWJSFCOURXAJP-TUSQITKMSA-N 1 1 411.542 4.406 40 0 HIABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)CC1 ZINC000257339096 568815783 /nfs/dbraw/zinc/81/57/83/568815783.db2.gz ZAESWWJHYDFUCC-IBGZPJMESA-N 1 1 410.537 4.463 40 0 HIABMO c1coc(CN2CCC3(CC2)Oc2ccccc2-c2c3cnn2CC[NH+]2CCCC2)c1 ZINC000306130563 568893000 /nfs/dbraw/zinc/89/30/00/568893000.db2.gz JJVBFFXKFHYXHX-UHFFFAOYSA-N 1 1 418.541 4.123 40 0 HIABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329020849 568973111 /nfs/dbraw/zinc/97/31/11/568973111.db2.gz ODYCNJLGKJMUHD-UHFFFAOYSA-N 1 1 406.530 4.448 40 0 HIABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329020849 568973113 /nfs/dbraw/zinc/97/31/13/568973113.db2.gz ODYCNJLGKJMUHD-UHFFFAOYSA-N 1 1 406.530 4.448 40 0 HIABMO Cc1sc(-n2cccc2)nc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198669 569058987 /nfs/dbraw/zinc/05/89/87/569058987.db2.gz FRKDBYDVVFSDHF-IIZPIQPGSA-N 1 1 422.598 4.277 40 0 HIABMO Fc1ccc(C(OCC[NH+]2CCN(c3ccccn3)CC2)c2ccc(F)cc2)cc1 ZINC000000835004 569287694 /nfs/dbraw/zinc/28/76/94/569287694.db2.gz YEXPCMHCZYAHCM-UHFFFAOYSA-N 1 1 409.480 4.288 40 0 HIABMO CC1(C)CC(N2CC[C@@](O)(c3ccccc3)[C@H](C(=O)c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000004263175 569322532 /nfs/dbraw/zinc/32/25/32/569322532.db2.gz NEOJLOAKLIOQTH-WNCULLNHSA-N 1 1 420.597 4.388 40 0 HIABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009062758 569342239 /nfs/dbraw/zinc/34/22/39/569342239.db2.gz DBTBSYIQTZWGPN-UHFFFAOYSA-N 1 1 404.913 4.195 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000012408184 569344740 /nfs/dbraw/zinc/34/47/40/569344740.db2.gz OPTZURDZBWXKDN-TZIWHRDSSA-N 1 1 413.587 4.411 40 0 HIABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3cccnc3)CC2)sc1COc1ccccc1 ZINC000019695889 569346727 /nfs/dbraw/zinc/34/67/27/569346727.db2.gz MWEVYXHIBQRGRO-QHCPKHFHSA-N 1 1 409.555 4.299 40 0 HIABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ccncc3)CC2)sc1CCOc1ccccc1 ZINC000019704894 569347823 /nfs/dbraw/zinc/34/78/23/569347823.db2.gz KCRUGDQGACZPEP-XMMPIXPASA-N 1 1 423.582 4.342 40 0 HIABMO COc1ccc(NC(=O)c2cnc([C@@H]3CC[N@@H+](Cc4ccccc4C)C3)nc2C)cc1 ZINC000019766210 569349048 /nfs/dbraw/zinc/34/90/48/569349048.db2.gz VPVRSZAIDAXJCU-HXUWFJFHSA-N 1 1 416.525 4.344 40 0 HIABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000019766968 569429682 /nfs/dbraw/zinc/42/96/82/569429682.db2.gz JWBDTDCYTCKDCX-QHCPKHFHSA-N 1 1 400.526 4.442 40 0 HIABMO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(OC(F)(F)F)cc3)n2)cn1 ZINC000035425821 291265883 /nfs/dbraw/zinc/26/58/83/291265883.db2.gz WDHNBAJXEPZJLB-INIZCTEOSA-N 1 1 420.391 4.376 40 0 biogenic,in-vitro HIABMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(OC(F)(F)F)cc3)n2)cn1 ZINC000035425821 291265886 /nfs/dbraw/zinc/26/58/86/291265886.db2.gz WDHNBAJXEPZJLB-INIZCTEOSA-N 1 1 420.391 4.376 40 0 biogenic,in-vitro HIABMO NC(=O)N1CC[NH+](CCCN2c3ccccc3Sc3cc(Cl)ccc32)CC1 ZINC000001678386 132247345 /nfs/dbraw/zinc/24/73/45/132247345.db2.gz HTUNPWGJCDURHI-UHFFFAOYSA-N 1 1 402.951 4.029 40 0 HIABMO Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000044912359 524412957 /nfs/dbraw/zinc/41/29/57/524412957.db2.gz PNWACBUYUJWPCH-UHFFFAOYSA-N 1 1 401.348 4.286 40 0 HIABMO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000043277810 524441355 /nfs/dbraw/zinc/44/13/55/524441355.db2.gz YBBQVMAYWHSFSO-UHFFFAOYSA-N 1 1 413.905 4.366 40 0 HIABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000043277810 524441361 /nfs/dbraw/zinc/44/13/61/524441361.db2.gz YBBQVMAYWHSFSO-UHFFFAOYSA-N 1 1 413.905 4.366 40 0 HIABMO CCc1onc(C)c1C(=O)N1CCC[C@@H](c2[nH+]c3ccccn3c2NC(C)(C)C)C1 ZINC000012088150 558322823 /nfs/dbraw/zinc/32/28/23/558322823.db2.gz NXHDCIKBBHCJDR-MRXNPFEDSA-N 1 1 409.534 4.423 40 0 HIABMO Cc1cccc(N2CCN(C(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)CC2)c1C ZINC000020104171 558332861 /nfs/dbraw/zinc/33/28/61/558332861.db2.gz CGFKVPKANMHUDZ-FQEVSTJZSA-N 1 1 405.586 4.498 40 0 HIABMO O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020108245 558334248 /nfs/dbraw/zinc/33/42/48/558334248.db2.gz FVFQXIKQZLPCTP-UHFFFAOYSA-N 1 1 422.532 4.361 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]2CCCO2)cc1OC ZINC000012187380 558346255 /nfs/dbraw/zinc/34/62/55/558346255.db2.gz QVRCDFJDKGSJTG-JOCHJYFZSA-N 1 1 407.514 4.071 40 0 HIABMO CCCCOc1ccc2[nH]c(C)c(C[NH+]3CCN(c4ccccc4)CC3)c(=O)c2c1 ZINC000017043243 558812669 /nfs/dbraw/zinc/81/26/69/558812669.db2.gz ZMLCKTRJZMOFFU-UHFFFAOYSA-N 1 1 405.542 4.338 40 0 HIABMO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038848728 558818299 /nfs/dbraw/zinc/81/82/99/558818299.db2.gz SKXJOPTXDCCZFO-UHFFFAOYSA-N 1 1 401.348 4.286 40 0 HIABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019081932 558840056 /nfs/dbraw/zinc/84/00/56/558840056.db2.gz GLEYODWIWYUORN-UWJYYQICSA-N 1 1 401.501 4.475 40 0 HIABMO Cc1cccc(C[N@@H+]2CCC[C@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019234978 558854111 /nfs/dbraw/zinc/85/41/11/558854111.db2.gz JZOGPXCTMRWNJS-NRFANRHFSA-N 1 1 416.573 4.165 40 0 HIABMO Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)c2cc(N(C)C)nc(-c3cccnc3)n2)n1 ZINC000019236344 558855338 /nfs/dbraw/zinc/85/53/38/558855338.db2.gz OCUWTHZPJMDVRY-QHCPKHFHSA-N 1 1 424.552 4.382 40 0 HIABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019236848 558856057 /nfs/dbraw/zinc/85/60/57/558856057.db2.gz LXFLZVAOCGTPQK-GBXCKJPGSA-N 1 1 400.526 4.168 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)n1 ZINC000019236837 558856119 /nfs/dbraw/zinc/85/61/19/558856119.db2.gz KGXLHKJEJKZVDI-PXDATVDWSA-N 1 1 414.553 4.477 40 0 HIABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000019293408 558865167 /nfs/dbraw/zinc/86/51/67/558865167.db2.gz QXSVQCDDYQXVHJ-GOSISDBHSA-N 1 1 410.905 4.033 40 0 HIABMO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC000019339252 558871278 /nfs/dbraw/zinc/87/12/78/558871278.db2.gz APRRUWRYKIMZFM-VABKMULXSA-N 1 1 421.541 4.413 40 0 HIABMO O=C(NCC[N@H+](Cc1ccccn1)Cc1ccnc2ccccc12)c1cccs1 ZINC000019376055 558882100 /nfs/dbraw/zinc/88/21/00/558882100.db2.gz HTCDKHBHLUSTGV-UHFFFAOYSA-N 1 1 402.523 4.124 40 0 HIABMO O=C(NCC[N@@H+](Cc1ccccn1)Cc1ccnc2ccccc12)c1cccs1 ZINC000019376055 558882103 /nfs/dbraw/zinc/88/21/03/558882103.db2.gz HTCDKHBHLUSTGV-UHFFFAOYSA-N 1 1 402.523 4.124 40 0 HIABMO CC(C)CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019446686 558886481 /nfs/dbraw/zinc/88/64/81/558886481.db2.gz BLXRFDMMKNNLFF-HSZRJFAPSA-N 1 1 401.501 4.475 40 0 HIABMO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)Cc3cnc(C(C)C)nc3)CC2)C1 ZINC000019453912 558891311 /nfs/dbraw/zinc/89/13/11/558891311.db2.gz BZVRZUPBJSTGIU-UHFFFAOYSA-N 1 1 422.573 4.154 40 0 HIABMO CC[N@H+]1CCC[C@H]1CN(Cc1c(C)nn(Cc2ccccc2)c1C)Cc1cccnc1 ZINC000019527186 558908370 /nfs/dbraw/zinc/90/83/70/558908370.db2.gz RYJCSKHRVYUBAT-VWLOTQADSA-N 1 1 417.601 4.430 40 0 HIABMO COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCC1 ZINC000019570548 558929212 /nfs/dbraw/zinc/92/92/12/558929212.db2.gz FDFKVWVIALGQJN-FKBYEOEOSA-N 1 1 410.583 4.373 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 ZINC000072341497 558940046 /nfs/dbraw/zinc/94/00/46/558940046.db2.gz UCGLGLADPNAPFW-HXUWFJFHSA-N 1 1 407.518 4.160 40 0 HIABMO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)nc1C ZINC000072346274 558943164 /nfs/dbraw/zinc/94/31/64/558943164.db2.gz MOBZALMWWJPHPA-QFIPXVFZSA-N 1 1 405.546 4.476 40 0 HIABMO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@H+]2Cc2ccc3[nH]ccc3c2)nc1C ZINC000072346274 558943167 /nfs/dbraw/zinc/94/31/67/558943167.db2.gz MOBZALMWWJPHPA-QFIPXVFZSA-N 1 1 405.546 4.476 40 0 HIABMO CNc1cc([C@H]2CCC[N@@H+](Cc3ccc(OC)cc3F)C2)nc(-c2ccncc2)n1 ZINC000019592275 558943323 /nfs/dbraw/zinc/94/33/23/558943323.db2.gz UXJRNIUVDZRHBR-SFHVURJKSA-N 1 1 407.493 4.108 40 0 HIABMO COCc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019594349 558945300 /nfs/dbraw/zinc/94/53/00/558945300.db2.gz HJAFXYCGBLSMTF-NRFANRHFSA-N 1 1 420.513 4.126 40 0 HIABMO COCc1ccc(OC)c(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019594349 558945302 /nfs/dbraw/zinc/94/53/02/558945302.db2.gz HJAFXYCGBLSMTF-NRFANRHFSA-N 1 1 420.513 4.126 40 0 HIABMO Cc1nc2cc([C@H]3CCC[N@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351286 558947687 /nfs/dbraw/zinc/94/76/87/558947687.db2.gz YMTKDAKARQKANZ-NZQKXSOJSA-N 1 1 423.605 4.297 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352547 558948946 /nfs/dbraw/zinc/94/89/46/558948946.db2.gz BDSIRFNZKHXXCJ-KRWDZBQOSA-N 1 1 402.523 4.194 40 0 HIABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352538 558948973 /nfs/dbraw/zinc/94/89/73/558948973.db2.gz LRMLMXLUVIWHOU-INIZCTEOSA-N 1 1 418.566 4.479 40 0 HIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072355006 558952292 /nfs/dbraw/zinc/95/22/92/558952292.db2.gz RQQDHZHWOCESOP-QGZVFWFLSA-N 1 1 422.916 4.386 40 0 HIABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4cc5c(cc4Cl)OCO5)C3)n2)c1 ZINC000072369896 558956143 /nfs/dbraw/zinc/95/61/43/558956143.db2.gz LJMUMBJHJBJRDW-AWEZNQCLSA-N 1 1 413.861 4.117 40 0 HIABMO CCOC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CC[NH+](Cc2ccncc2)CC1 ZINC000072393973 558973303 /nfs/dbraw/zinc/97/33/03/558973303.db2.gz YSOOHURDJBBYSL-UHFFFAOYSA-N 1 1 419.525 4.433 40 0 HIABMO CCn1cnc2sc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)c(C)c2c1=O ZINC000019717375 558980109 /nfs/dbraw/zinc/98/01/09/558980109.db2.gz ZEONBAWRSRWMGW-OAHLLOKOSA-N 1 1 424.570 4.413 40 0 HIABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585102335 559026137 /nfs/dbraw/zinc/02/61/37/559026137.db2.gz XFZHGHISLNQBKG-JOCHJYFZSA-N 1 1 401.938 4.145 40 0 HIABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585102335 559026139 /nfs/dbraw/zinc/02/61/39/559026139.db2.gz XFZHGHISLNQBKG-JOCHJYFZSA-N 1 1 401.938 4.145 40 0 HIABMO CC(=O)N1CC[N@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000257302186 559286104 /nfs/dbraw/zinc/28/61/04/559286104.db2.gz SBVOCUVIVZYLHU-XMMPIXPASA-N 1 1 401.510 4.066 40 0 HIABMO CC(=O)N1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000257302186 559286106 /nfs/dbraw/zinc/28/61/06/559286106.db2.gz SBVOCUVIVZYLHU-XMMPIXPASA-N 1 1 401.510 4.066 40 0 HIABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926107 560556864 /nfs/dbraw/zinc/55/68/64/560556864.db2.gz PAIGCBDGPINWIN-UHFFFAOYSA-N 1 1 420.561 4.273 40 0 HIABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926107 560556866 /nfs/dbraw/zinc/55/68/66/560556866.db2.gz PAIGCBDGPINWIN-UHFFFAOYSA-N 1 1 420.561 4.273 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161777 560601951 /nfs/dbraw/zinc/60/19/51/560601951.db2.gz PKMBOXDYUVSEEH-BTYIYWSLSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161777 560601953 /nfs/dbraw/zinc/60/19/53/560601953.db2.gz PKMBOXDYUVSEEH-BTYIYWSLSA-N 1 1 422.577 4.098 40 0 HIABMO Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020121766 560880860 /nfs/dbraw/zinc/88/08/60/560880860.db2.gz KSNGCNJSSOLAQH-XMMPIXPASA-N 1 1 416.573 4.004 40 0 HIABMO O=C(NCCOc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223569452 568551926 /nfs/dbraw/zinc/55/19/26/568551926.db2.gz ULMCINQPSMPJOV-NRFANRHFSA-N 1 1 406.501 4.386 40 0 HIABMO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000224105700 568570102 /nfs/dbraw/zinc/57/01/02/568570102.db2.gz ZWFUDVHJPAYJIZ-VWLOTQADSA-N 1 1 406.570 4.287 40 0 HIABMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000225514593 568645500 /nfs/dbraw/zinc/64/55/00/568645500.db2.gz MMAMOSUIQYKCSS-SJLPKXTDSA-N 1 1 416.949 4.447 40 0 HIABMO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225582839 568654022 /nfs/dbraw/zinc/65/40/22/568654022.db2.gz FXQLDPIVAAIEAB-UHFFFAOYSA-N 1 1 404.913 4.406 40 0 HIABMO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225664052 568661595 /nfs/dbraw/zinc/66/15/95/568661595.db2.gz BIYGRPLNYPGHIR-HYBUGGRVSA-N 1 1 418.578 4.102 40 0 HIABMO COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000260767266 568738125 /nfs/dbraw/zinc/73/81/25/568738125.db2.gz MMAMOSUIQYKCSS-WMZOPIPTSA-N 1 1 416.949 4.447 40 0 HIABMO COCC(=O)N1CCC2(C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2c2ccccc2)CC1 ZINC000257203350 568777152 /nfs/dbraw/zinc/77/71/52/568777152.db2.gz APPPJQMBVKXPGP-JOCHJYFZSA-N 1 1 412.961 4.195 40 0 HIABMO CCCOc1ccccc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)n[nH]1 ZINC000257234892 568786130 /nfs/dbraw/zinc/78/61/30/568786130.db2.gz GVMBTJYJLLBWBT-UDGMGYNGSA-N 1 1 408.546 4.001 40 0 HIABMO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)nc1C ZINC000257299492 568804297 /nfs/dbraw/zinc/80/42/97/568804297.db2.gz RQHOUDAXILHQBT-LJQANCHMSA-N 1 1 414.981 4.147 40 0 HIABMO CCCOc1ccccc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)C3)[nH]n1 ZINC000257329861 568813091 /nfs/dbraw/zinc/81/30/91/568813091.db2.gz XLUXKJICRNWEMV-YMACDFMISA-N 1 1 422.573 4.343 40 0 HIABMO CCCOc1ccccc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)n[nH]1 ZINC000257329861 568813092 /nfs/dbraw/zinc/81/30/92/568813092.db2.gz XLUXKJICRNWEMV-YMACDFMISA-N 1 1 422.573 4.343 40 0 HIABMO CCCOc1ccccc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)C3)n[nH]1 ZINC000257329861 568813095 /nfs/dbraw/zinc/81/30/95/568813095.db2.gz XLUXKJICRNWEMV-YMACDFMISA-N 1 1 422.573 4.343 40 0 HIABMO c1csc(C[N@@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306126398 568889190 /nfs/dbraw/zinc/88/91/90/568889190.db2.gz DUMMLRMWNWBANN-JOCHJYFZSA-N 1 1 421.614 4.265 40 0 HIABMO COc1ncccc1C[N@H+]1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306126633 568889535 /nfs/dbraw/zinc/88/95/35/568889535.db2.gz FAQJUTZYFUFENU-LJQANCHMSA-N 1 1 417.488 4.319 40 0 HIABMO COc1cccc(C[N@H+]2CC[C@@]3(C2)CCc2nc(-c4ccccc4)cc(=O)n2CC3)c1 ZINC000306127837 568890681 /nfs/dbraw/zinc/89/06/81/568890681.db2.gz GISYRDOTWKTODJ-SANMLTNESA-N 1 1 415.537 4.148 40 0 HIABMO O=C(Nc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)Nc3ccccc3)CC[C@H]2[N@H+]1CC1CC1 ZINC000306139404 568901311 /nfs/dbraw/zinc/90/13/11/568901311.db2.gz SWNIJFMKEYVFFV-PMOQBDJRSA-N 1 1 418.541 4.032 40 0 HIABMO CC(C)C[N@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000306142271 568903722 /nfs/dbraw/zinc/90/37/22/568903722.db2.gz WVAJPMMZCYIEMD-OFNKIYASSA-N 1 1 413.587 4.210 40 0 HIABMO CC1(C)CC(N2CC[C@@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000012139855 569042809 /nfs/dbraw/zinc/04/28/09/569042809.db2.gz NEOJLOAKLIOQTH-YIXXDRMTSA-N 1 1 420.597 4.388 40 0 HIABMO Cc1c(Br)cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1C ZINC000016805977 569046413 /nfs/dbraw/zinc/04/64/13/569046413.db2.gz MZIUOKKPTQLZOD-UHFFFAOYSA-N 1 1 401.348 4.332 40 0 HIABMO COc1ccc2c(ccn2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c1 ZINC000257199103 569059064 /nfs/dbraw/zinc/05/90/64/569059064.db2.gz SFHCSZLHAMASRL-ZDWBCWQTSA-N 1 1 419.569 4.072 40 0 HIABMO O=C(C[N@H+]1C[C@@H]2[C@@H](Cc3ccccc3Cl)CC[C@@H]2C1)Nc1ccc2n[nH]cc2c1 ZINC000536558921 569062866 /nfs/dbraw/zinc/06/28/66/569062866.db2.gz PHVJZDOUNITZLG-WRWLIDTKSA-N 1 1 408.933 4.356 40 0 HIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3ccc(C)s3)C1)O2 ZINC000019217190 569345280 /nfs/dbraw/zinc/34/52/80/569345280.db2.gz MXSHNTGVESUWCV-FDDCHVKYSA-N 1 1 414.571 4.087 40 0 HIABMO C[C@@H](C[N@H+]1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1)c1ccccc1 ZINC000019456159 569345553 /nfs/dbraw/zinc/34/55/53/569345553.db2.gz XYROXZOIPUUQIU-OFVILXPXSA-N 1 1 413.565 4.485 40 0 HIABMO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)CC2CCCCC2)n1 ZINC000019701018 569347280 /nfs/dbraw/zinc/34/72/80/569347280.db2.gz IIUXBJTVSOTFPS-OAQYLSRUSA-N 1 1 421.589 4.047 40 0 HIABMO Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019702307 569347436 /nfs/dbraw/zinc/34/74/36/569347436.db2.gz OXZUMAJTWDKGEY-GOSISDBHSA-N 1 1 423.582 4.483 40 0 HIABMO Cc1cc(N2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccccc2C(F)(F)F)nc(C)[nH+]1 ZINC000019713275 569348420 /nfs/dbraw/zinc/34/84/20/569348420.db2.gz KPERBUPEKHJVNX-RTBURBONSA-N 1 1 418.463 4.272 40 0 HIABMO COc1ccc(CN2C(=O)CCCC[C@H]3N(c4cc(C)[nH+]c(C)n4)CC[C@]32C)cc1 ZINC000019713697 569348508 /nfs/dbraw/zinc/34/85/08/569348508.db2.gz LNDLVMKVJUCDEA-ZJSXRUAMSA-N 1 1 408.546 4.042 40 0 HIABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856811 569352102 /nfs/dbraw/zinc/35/21/02/569352102.db2.gz RFTBGQRLBRTJPD-FPOVZHCZSA-N 1 1 414.521 4.322 40 0 HIABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cnc4ccccc4c3)n2)cn1 ZINC000049155449 291263817 /nfs/dbraw/zinc/26/38/17/291263817.db2.gz VDFUCEIZOHDIIO-FQEVSTJZSA-N 1 1 400.486 4.083 40 0 biogenic,in-vitro HIABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cnc4ccccc4c3)n2)cn1 ZINC000049155449 291263818 /nfs/dbraw/zinc/26/38/18/291263818.db2.gz VDFUCEIZOHDIIO-FQEVSTJZSA-N 1 1 400.486 4.083 40 0 biogenic,in-vitro HIABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000035424885 291264400 /nfs/dbraw/zinc/26/44/00/291264400.db2.gz JMSFEZCGMLNVIV-FQEVSTJZSA-N 1 1 418.501 4.008 40 0 biogenic,in-vitro HIABMO Cc1nc([C@H]2CCC[N@H+]2CCCc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019753820 558273007 /nfs/dbraw/zinc/27/30/07/558273007.db2.gz LXEISLKCQMCAQG-XMMPIXPASA-N 1 1 414.553 4.485 40 0 HIABMO COc1cccc2cc(C[N@H+]3CC[C@@H](c4cc(C(N)=O)c5ccccc5n4)C3)oc21 ZINC000019761065 558276370 /nfs/dbraw/zinc/27/63/70/558276370.db2.gz MULNIOXRFBLRJO-MRXNPFEDSA-N 1 1 401.466 4.078 40 0 HIABMO CCOc1ccccc1NC(=O)C[NH+]1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000012113194 558326803 /nfs/dbraw/zinc/32/68/03/558326803.db2.gz BFSZYTIHBWWVGM-UHFFFAOYSA-N 1 1 416.525 4.231 40 0 HIABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000012157765 558340758 /nfs/dbraw/zinc/34/07/58/558340758.db2.gz URKBOLXWLCKLDB-FXAWDEMLSA-N 1 1 410.518 4.061 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]2CCCO2)cc1OC ZINC000012187377 558346201 /nfs/dbraw/zinc/34/62/01/558346201.db2.gz QVRCDFJDKGSJTG-QFIPXVFZSA-N 1 1 407.514 4.071 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)n1 ZINC000013227637 558526912 /nfs/dbraw/zinc/52/69/12/558526912.db2.gz QTCDVXAPQAHRRI-XLIONFOSSA-N 1 1 403.448 4.145 40 0 HIABMO O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030941578 558745583 /nfs/dbraw/zinc/74/55/83/558745583.db2.gz IDTGTHFBWUBICM-FQEVSTJZSA-N 1 1 423.532 4.303 40 0 HIABMO CC(C)(C)c1cc2n(n1)[C@H](C(F)F)C[C@H]([C@H]1CCC[N@@H+](Cc3ccccn3)C1)N2 ZINC000019083916 558840668 /nfs/dbraw/zinc/84/06/68/558840668.db2.gz IIJPQZPWMPBFIO-JQHSSLGASA-N 1 1 403.521 4.478 40 0 HIABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000019219867 558851509 /nfs/dbraw/zinc/85/15/09/558851509.db2.gz HQTGLNRTQOSLBI-QGZVFWFLSA-N 1 1 401.432 4.388 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019234974 558854124 /nfs/dbraw/zinc/85/41/24/558854124.db2.gz HSORYKMLWOJQNU-HXUWFJFHSA-N 1 1 402.546 4.155 40 0 HIABMO CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019236187 558855450 /nfs/dbraw/zinc/85/54/50/558855450.db2.gz AJYORQFQAUDJRH-SANMLTNESA-N 1 1 414.553 4.023 40 0 HIABMO Cc1nc2cc(C)ccn2c1C[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019238149 558857152 /nfs/dbraw/zinc/85/71/52/558857152.db2.gz ISKPZFXHVHODOK-NBGIEHNGSA-N 1 1 420.532 4.119 40 0 HIABMO O=c1ccc(-c2nc(C3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)no2)c[nH]1 ZINC000019292877 558864692 /nfs/dbraw/zinc/86/46/92/558864692.db2.gz HJGKAXMAKCXSNX-UHFFFAOYSA-N 1 1 405.285 4.111 40 0 HIABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334374 558869505 /nfs/dbraw/zinc/86/95/05/558869505.db2.gz PMXVDZMLDZCKDR-VABKMULXSA-N 1 1 421.541 4.413 40 0 HIABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449564 558888022 /nfs/dbraw/zinc/88/80/22/558888022.db2.gz DIFDWATWECZTGV-SANMLTNESA-N 1 1 414.553 4.103 40 0 HIABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000019450640 558889085 /nfs/dbraw/zinc/88/90/85/558889085.db2.gz AMJFQYYXKJCSKK-INIZCTEOSA-N 1 1 401.461 4.229 40 0 HIABMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019454311 558891220 /nfs/dbraw/zinc/89/12/20/558891220.db2.gz JNGMAKAHJIHTBV-GHTZIAJQSA-N 1 1 419.525 4.439 40 0 HIABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CC=CCC4)[nH]c(=O)c3C2)CC1 ZINC000019495977 558894815 /nfs/dbraw/zinc/89/48/15/558894815.db2.gz SDETYPROWHVNFW-HKDCCESQSA-N 1 1 424.589 4.139 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502948 558900347 /nfs/dbraw/zinc/90/03/47/558900347.db2.gz ISCBCLWIOYSXKE-RUZDIDTESA-N 1 1 414.553 4.057 40 0 HIABMO CCc1ncc(C[N@H+]2CCC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523363 558904664 /nfs/dbraw/zinc/90/46/64/558904664.db2.gz YPVUQEGZTVVTEJ-SANMLTNESA-N 1 1 414.553 4.016 40 0 HIABMO CCN1CC[N@@H+](CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527660 558908960 /nfs/dbraw/zinc/90/89/60/558908960.db2.gz HVZUKXKRVANQBG-XMMPIXPASA-N 1 1 404.554 4.023 40 0 HIABMO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019529143 558910767 /nfs/dbraw/zinc/91/07/67/558910767.db2.gz BGYXEOVREAQPPC-SANMLTNESA-N 1 1 414.553 4.023 40 0 HIABMO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019529138 558910782 /nfs/dbraw/zinc/91/07/82/558910782.db2.gz FLUUEIOPKYXKPL-AREMUKBSSA-N 1 1 417.528 4.459 40 0 HIABMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1OC ZINC000019533851 558913341 /nfs/dbraw/zinc/91/33/41/558913341.db2.gz WTMLHAPKLBPOKK-FQEVSTJZSA-N 1 1 420.513 4.379 40 0 HIABMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1OC ZINC000019533851 558913343 /nfs/dbraw/zinc/91/33/43/558913343.db2.gz WTMLHAPKLBPOKK-FQEVSTJZSA-N 1 1 420.513 4.379 40 0 HIABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000019557226 558919450 /nfs/dbraw/zinc/91/94/50/558919450.db2.gz GCAYUXNPIGSVLC-ZWKOTPCHSA-N 1 1 402.420 4.215 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(C(=O)Nc3ccccc3OC)on2)C1 ZINC000019570317 558929108 /nfs/dbraw/zinc/92/91/08/558929108.db2.gz CCMPNJXFOSSVIW-QGZVFWFLSA-N 1 1 421.497 4.324 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)n1 ZINC000072330475 558934852 /nfs/dbraw/zinc/93/48/52/558934852.db2.gz MWVPOERFUCQGBG-GJZUVCINSA-N 1 1 414.553 4.097 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019580344 558936079 /nfs/dbraw/zinc/93/60/79/558936079.db2.gz NMLXVXWVIPEQAC-AREMUKBSSA-N 1 1 417.528 4.411 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341422 558939770 /nfs/dbraw/zinc/93/97/70/558939770.db2.gz UQPOIYUGEBOZJL-FPOVZHCZSA-N 1 1 413.587 4.411 40 0 HIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](CC2CCCCC2)C1 ZINC000019591266 558941675 /nfs/dbraw/zinc/94/16/75/558941675.db2.gz JCPBJSQAANRTCH-RUZDIDTESA-N 1 1 406.574 4.095 40 0 HIABMO O=C(c1sc2ccccc2c1[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000072352336 558948468 /nfs/dbraw/zinc/94/84/68/558948468.db2.gz ADVBVTOXURPZMH-FQEVSTJZSA-N 1 1 420.578 4.406 40 0 HIABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4c[nH]nc4C(C)(C)C)C3)[nH]n2)cc1 ZINC000072371733 558958801 /nfs/dbraw/zinc/95/88/01/558958801.db2.gz VPJONZFYAOKZBB-KRWDZBQOSA-N 1 1 423.561 4.050 40 0 HIABMO COc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4c[nH]nc4C(C)(C)C)C3)n[nH]2)cc1 ZINC000072371733 558958803 /nfs/dbraw/zinc/95/88/03/558958803.db2.gz VPJONZFYAOKZBB-KRWDZBQOSA-N 1 1 423.561 4.050 40 0 HIABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4c[nH]nc4C(C)(C)C)C3)n[nH]2)cc1 ZINC000072371733 558958806 /nfs/dbraw/zinc/95/88/06/558958806.db2.gz VPJONZFYAOKZBB-KRWDZBQOSA-N 1 1 423.561 4.050 40 0 HIABMO CCn1cc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 ZINC000019689850 558959440 /nfs/dbraw/zinc/95/94/40/558959440.db2.gz NJWHOMHMRWZBAP-FQEVSTJZSA-N 1 1 410.953 4.417 40 0 HIABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccc(Nc3cnccn3)n1)CCC2 ZINC000072375523 558964244 /nfs/dbraw/zinc/96/42/44/558964244.db2.gz LGSMUTCWOULUDN-OAQYLSRUSA-N 1 1 401.514 4.450 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc(C(=O)N4CCCC4)cn3)C2)c2cc(F)ccc21 ZINC000019705894 558968339 /nfs/dbraw/zinc/96/83/39/558968339.db2.gz UVZIQXAYAOWGCI-LJQANCHMSA-N 1 1 420.532 4.328 40 0 HIABMO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 ZINC000585100547 559024047 /nfs/dbraw/zinc/02/40/47/559024047.db2.gz NBMNAZDJBIZEKP-QFIPXVFZSA-N 1 1 400.523 4.064 40 0 HIABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@@H+]4Cc4cnc(C)s4)C3)oc21 ZINC000585101800 559024931 /nfs/dbraw/zinc/02/49/31/559024931.db2.gz HGGLACLXLMGYHR-JOCHJYFZSA-N 1 1 411.527 4.087 40 0 HIABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@H+]4Cc4cnc(C)s4)C3)oc21 ZINC000585101800 559024932 /nfs/dbraw/zinc/02/49/32/559024932.db2.gz HGGLACLXLMGYHR-JOCHJYFZSA-N 1 1 411.527 4.087 40 0 HIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000585106993 559029366 /nfs/dbraw/zinc/02/93/66/559029366.db2.gz NKYWLIXGHVOAKY-DEOSSOPVSA-N 1 1 420.582 4.467 40 0 HIABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@H+](Cc3ccsc3)C2)N1Cc1ccccc1 ZINC000096143109 559095734 /nfs/dbraw/zinc/09/57/34/559095734.db2.gz TXNHXFAXSNFSIJ-QFIPXVFZSA-N 1 1 410.564 4.054 40 0 HIABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](Cc3ccsc3)C2)N1Cc1ccccc1 ZINC000096143109 559095735 /nfs/dbraw/zinc/09/57/35/559095735.db2.gz TXNHXFAXSNFSIJ-QFIPXVFZSA-N 1 1 410.564 4.054 40 0 HIABMO Cc1cc(C)cc(OC[C@@]2(O)C[N@H+]([C@H]3CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 ZINC000585286625 559121809 /nfs/dbraw/zinc/12/18/09/559121809.db2.gz HFZPZVBTIRJQGZ-LCGRTSHQSA-N 1 1 409.570 4.206 40 0 HIABMO C[C@@]1(O)CC[N@@H+](CCCc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289935 560031509 /nfs/dbraw/zinc/03/15/09/560031509.db2.gz OXOBRYHPSDHZHS-OHSXHVKISA-N 1 1 420.597 4.492 40 0 biogenic,in-vitro HIABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]2N(C)C3=O)c1 ZINC000514289578 560032059 /nfs/dbraw/zinc/03/20/59/560032059.db2.gz LHIHXKUQYNANQB-NOZRDPDXSA-N 1 1 414.505 4.080 40 0 biogenic,in-vitro HIABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2c1C ZINC000000889558 560542018 /nfs/dbraw/zinc/54/20/18/560542018.db2.gz HYBSHZYOBLRUCW-QFIPXVFZSA-N 1 1 420.561 4.212 40 0 HIABMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[N@H+]1C[C@H]2C[C@@H]1CC(C)(C)C2 ZINC000002367911 560559817 /nfs/dbraw/zinc/55/98/17/560559817.db2.gz AQEBUGFWZCHVIQ-DZGCQCFKSA-N 1 1 417.937 4.447 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N[C@H]4CCCC[C@@H]4C)on3)C2)c1 ZINC000409412745 560723035 /nfs/dbraw/zinc/72/30/35/560723035.db2.gz JPEBFZYLMGIAJL-CUWPLCDZSA-N 1 1 411.546 4.371 40 0 HIABMO c1cncc(C[N@@H+](CCCN2CCOCC2)Cc2ccc(OC3CCCC3)cc2)c1 ZINC000013569073 560814227 /nfs/dbraw/zinc/81/42/27/560814227.db2.gz FZFDPPKXGOJIJW-UHFFFAOYSA-N 1 1 409.574 4.128 40 0 HIABMO C[C@H](NC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000020241786 560883235 /nfs/dbraw/zinc/88/32/35/560883235.db2.gz AQQLZDLHKJXAFI-QFIPXVFZSA-N 1 1 413.565 4.495 40 0 HIABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000216370978 568464802 /nfs/dbraw/zinc/46/48/02/568464802.db2.gz HXGGTBRRUDNOFH-LJQANCHMSA-N 1 1 402.560 4.412 40 0 HIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)cc2)C1 ZINC000219241180 568488317 /nfs/dbraw/zinc/48/83/17/568488317.db2.gz TZMIAXLSTFPKOT-SFHVURJKSA-N 1 1 404.514 4.241 40 0 HIABMO O=C(NCCOc1ccc(F)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223416371 568548226 /nfs/dbraw/zinc/54/82/26/568548226.db2.gz JLNRGDAUSAFVHH-UHFFFAOYSA-N 1 1 404.485 4.193 40 0 HIABMO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000224181212 568572788 /nfs/dbraw/zinc/57/27/88/568572788.db2.gz JQEVABGEZNHQLW-SFHVURJKSA-N 1 1 404.913 4.195 40 0 HIABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)CC1 ZINC000224318273 568577763 /nfs/dbraw/zinc/57/77/63/568577763.db2.gz RIXZPQHRJYVGLZ-UHFFFAOYSA-N 1 1 404.510 4.205 40 0 HIABMO CCSc1nnc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)s1 ZINC000224882910 568602160 /nfs/dbraw/zinc/60/21/60/568602160.db2.gz VUNMMKYNEXNBQR-UHFFFAOYSA-N 1 1 414.959 4.293 40 0 HIABMO O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000225014466 568609235 /nfs/dbraw/zinc/60/92/35/568609235.db2.gz XTIBFOSWWLRXRO-LJQANCHMSA-N 1 1 413.949 4.027 40 0 HIABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccc(Br)c2)cc1 ZINC000225456300 568639751 /nfs/dbraw/zinc/63/97/51/568639751.db2.gz INOZSAWIEDMGOU-UHFFFAOYSA-N 1 1 401.333 4.430 40 0 HIABMO Cc1ccc(C)c(S(=O)(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000225927539 568686705 /nfs/dbraw/zinc/68/67/05/568686705.db2.gz XAWPMOCCNVVWDS-UHFFFAOYSA-N 1 1 403.935 4.286 40 0 HIABMO COCC(=O)N1CCC2(C[N@@H+](Cc3cccc(Cl)c3)C[C@H]2c2ccccc2)CC1 ZINC000257203137 568776850 /nfs/dbraw/zinc/77/68/50/568776850.db2.gz AOVGBRUEMGRSHE-QFIPXVFZSA-N 1 1 412.961 4.195 40 0 HIABMO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257204252 568777393 /nfs/dbraw/zinc/77/73/93/568777393.db2.gz ATRXGRJBFPRMSW-WIOPSUGQSA-N 1 1 408.542 4.082 40 0 HIABMO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257204252 568777394 /nfs/dbraw/zinc/77/73/94/568777394.db2.gz ATRXGRJBFPRMSW-WIOPSUGQSA-N 1 1 408.542 4.082 40 0 HIABMO Cc1ccccc1C[N@H+]1CC[C@@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257234418 568785878 /nfs/dbraw/zinc/78/58/78/568785878.db2.gz GTKWGHQBOTVXMA-JOCHJYFZSA-N 1 1 420.601 4.383 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257240643 568787702 /nfs/dbraw/zinc/78/77/02/568787702.db2.gz HUMMHQFUZCZMOK-IBGZPJMESA-N 1 1 412.921 4.432 40 0 HIABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257248339 568789673 /nfs/dbraw/zinc/78/96/73/568789673.db2.gz JDESLNDUNNWTIW-ZJOUEHCJSA-N 1 1 403.448 4.475 40 0 HIABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257248339 568789676 /nfs/dbraw/zinc/78/96/76/568789676.db2.gz JDESLNDUNNWTIW-ZJOUEHCJSA-N 1 1 403.448 4.475 40 0 HIABMO Fc1ccc(Nc2cccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)nc1 ZINC000257311050 568807401 /nfs/dbraw/zinc/80/74/01/568807401.db2.gz UHSLIJLXIYSGLY-JOCHJYFZSA-N 1 1 415.472 4.481 40 0 HIABMO Fc1ccc(Nc2cccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)nc1 ZINC000257311050 568807403 /nfs/dbraw/zinc/80/74/03/568807403.db2.gz UHSLIJLXIYSGLY-JOCHJYFZSA-N 1 1 415.472 4.481 40 0 HIABMO CCN(C(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)c1cccc(C)c1 ZINC000257310488 568807405 /nfs/dbraw/zinc/80/74/05/568807405.db2.gz UFHBRAKZQQVDHR-AHWVRZQESA-N 1 1 422.569 4.188 40 0 HIABMO CCN(C(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)c1cccc(C)c1 ZINC000257310488 568807407 /nfs/dbraw/zinc/80/74/07/568807407.db2.gz UFHBRAKZQQVDHR-AHWVRZQESA-N 1 1 422.569 4.188 40 0 HIABMO COc1cccc(-c2cncc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257330750 568813431 /nfs/dbraw/zinc/81/34/31/568813431.db2.gz XPSGOPOQZXPGDI-VWLOTQADSA-N 1 1 412.493 4.274 40 0 HIABMO COc1cccc(-c2cncc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257330750 568813433 /nfs/dbraw/zinc/81/34/33/568813433.db2.gz XPSGOPOQZXPGDI-VWLOTQADSA-N 1 1 412.493 4.274 40 0 HIABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccnc(Cc3cccc(F)c3)c1)C2 ZINC000257337113 568815156 /nfs/dbraw/zinc/81/51/56/568815156.db2.gz YRLBFOAOEQEMBP-UCKMRUJXSA-N 1 1 407.533 4.289 40 0 HIABMO CNc1cc(C)nc([C@@]2(C)CCC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)n1 ZINC000257341560 568816474 /nfs/dbraw/zinc/81/64/74/568816474.db2.gz ZKWWCJSTXUHKOH-VWLOTQADSA-N 1 1 417.557 4.354 40 0 HIABMO COc1ccc(CN2Cc3sc(N4CC[NH+](C)CC4)nc3-c3ccccc3C2)cc1 ZINC000306130912 568893397 /nfs/dbraw/zinc/89/33/97/568893397.db2.gz JSJTXKLNABKHEB-UHFFFAOYSA-N 1 1 420.582 4.086 40 0 HIABMO Cc1ccc(C[N@@H+]2CCN(C)[C@H](c3ncn4cc(-c5cccnc5)ccc34)C2)s1 ZINC000306134357 568896299 /nfs/dbraw/zinc/89/62/99/568896299.db2.gz NKTSNOOEQYKYLU-QFIPXVFZSA-N 1 1 403.555 4.255 40 0 HIABMO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](CC(C)C)CCO2 ZINC000306134273 568896380 /nfs/dbraw/zinc/89/63/80/568896380.db2.gz NHMXAHPZZVWBPZ-HYBUGGRVSA-N 1 1 411.546 4.049 40 0 HIABMO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@]12C[N@@H+](CC(C)C)CCO2 ZINC000306134274 568896412 /nfs/dbraw/zinc/89/64/12/568896412.db2.gz NHMXAHPZZVWBPZ-RDPSFJRHSA-N 1 1 411.546 4.049 40 0 HIABMO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144595 568906054 /nfs/dbraw/zinc/90/60/54/568906054.db2.gz ZJUOGLCXDSJIQH-JYFHCDHNSA-N 1 1 420.601 4.309 40 0 HIABMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)c(C)sc2NC(=O)c2ccccc2)C1 ZINC000005644523 569255908 /nfs/dbraw/zinc/25/59/08/569255908.db2.gz RKUCZMWRYMFALR-GOSISDBHSA-N 1 1 400.544 4.392 40 0 HIABMO C[C@H](C[N@H+]1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000248168847 569316684 /nfs/dbraw/zinc/31/66/84/569316684.db2.gz QLOGWAKAXKQCTO-FQRUVTKNSA-N 1 1 414.553 4.057 40 0 HIABMO C[C@H](C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000019456129 569345588 /nfs/dbraw/zinc/34/55/88/569345588.db2.gz CEINOHUHQWQGIA-TZIWHRDSSA-N 1 1 416.573 4.450 40 0 HIABMO CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+]1Cc1cccnc1 ZINC000019696553 569346820 /nfs/dbraw/zinc/34/68/20/569346820.db2.gz WEIVZVGNBHFGKC-RUZDIDTESA-N 1 1 418.541 4.182 40 0 HIABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 ZINC000019704347 569347543 /nfs/dbraw/zinc/34/75/43/569347543.db2.gz QAQRNSUBMOVCRW-MRXNPFEDSA-N 1 1 411.937 4.093 40 0 HIABMO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019704347 569347544 /nfs/dbraw/zinc/34/75/44/569347544.db2.gz QAQRNSUBMOVCRW-MRXNPFEDSA-N 1 1 411.937 4.093 40 0 HIABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019704347 569347545 /nfs/dbraw/zinc/34/75/45/569347545.db2.gz QAQRNSUBMOVCRW-MRXNPFEDSA-N 1 1 411.937 4.093 40 0 HIABMO COCc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000021004278 569349707 /nfs/dbraw/zinc/34/97/07/569349707.db2.gz RYYXWJDOURPTAZ-UHFFFAOYSA-N 1 1 400.522 4.380 40 0 HIABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CCCCC3)n1)C2 ZINC000329010251 571305209 /nfs/dbraw/zinc/30/52/09/571305209.db2.gz MAFQHLKVXPTGOI-UHFFFAOYSA-N 1 1 406.574 4.889 40 0 HIABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4CC(C)C)n3)cn2)cc1 ZINC000049155227 291266083 /nfs/dbraw/zinc/26/60/83/291266083.db2.gz IWOXZIWLJNHVRW-IBGZPJMESA-N 1 1 421.501 4.185 40 0 biogenic,in-vitro HIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2Cl)CC1 ZINC000005644243 132307268 /nfs/dbraw/zinc/30/72/68/132307268.db2.gz PSOSPTNXEQDOEV-UHFFFAOYSA-N 1 1 408.329 4.396 40 0 HIABMO CCOC(=O)N1CC[NH+](CCCOc2ccc(Cl)cc2Cc2ccccc2)CC1 ZINC000031923360 520953418 /nfs/dbraw/zinc/95/34/18/520953418.db2.gz PXUJBDXWVDOCQJ-UHFFFAOYSA-N 1 1 416.949 4.474 40 0 HIABMO COc1cccc([C@@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@H]2C)OCO4)c1OC ZINC000073334471 524135335 /nfs/dbraw/zinc/13/53/35/524135335.db2.gz QUAKHYXKSRPYCZ-HRCLSFSHSA-N 1 1 411.498 4.405 40 0 HIABMO Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044852761 525428546 /nfs/dbraw/zinc/42/85/46/525428546.db2.gz KGMBMYVTTHILKW-UYAOXDASSA-N 1 1 400.950 4.444 40 0 HIABMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044855717 525553005 /nfs/dbraw/zinc/55/30/05/525553005.db2.gz ATWXOHXVFYJSAD-OAQYLSRUSA-N 1 1 405.498 4.281 40 0 HIABMO COc1cccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044906789 525887840 /nfs/dbraw/zinc/88/78/40/525887840.db2.gz LCRCFCWCGTZDQT-HXUWFJFHSA-N 1 1 400.950 4.310 40 0 HIABMO COc1cccc(OC)c1CCC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225993472 526222637 /nfs/dbraw/zinc/22/26/37/526222637.db2.gz HCDWWSCPSPPJOC-UHFFFAOYSA-N 1 1 413.905 4.066 40 0 HIABMO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)c(=O)[nH]c12 ZINC000000889314 557111991 /nfs/dbraw/zinc/11/19/91/557111991.db2.gz OOPPRDNINARMIQ-QFIPXVFZSA-N 1 1 420.561 4.294 40 0 HIABMO Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(I)cc1 ZINC000001609263 557275904 /nfs/dbraw/zinc/27/59/04/557275904.db2.gz XKIKQUAPAZIFTQ-UHFFFAOYSA-N 1 1 412.234 4.274 40 0 HIABMO O[C@H]1CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2[C@@H]1C[NH2+]Cc1ccccc1 ZINC000004429924 557554782 /nfs/dbraw/zinc/55/47/82/557554782.db2.gz ZUWKRYJSHNVYBR-FKGHCGTHSA-N 1 1 415.581 4.264 40 0 HIABMO NC(=O)c1cc([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)nc2ccccc21 ZINC000019761075 558276315 /nfs/dbraw/zinc/27/63/15/558276315.db2.gz RTEWEUPDGCFUGQ-HXUWFJFHSA-N 1 1 408.505 4.385 40 0 HIABMO COc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000012116792 558328832 /nfs/dbraw/zinc/32/88/32/558328832.db2.gz XJBJKJDTZXPZJQ-NRFANRHFSA-N 1 1 407.514 4.275 40 0 HIABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(OC)c(O)cc2Cl)cc1 ZINC000012345387 558386551 /nfs/dbraw/zinc/38/65/51/558386551.db2.gz WMZRYFOMNLHWLL-AQKKSAQBSA-N 1 1 403.906 4.077 40 0 HIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc(C)cc(C)c1-n1cccn1 ZINC000022913696 558520563 /nfs/dbraw/zinc/52/05/63/558520563.db2.gz FVHKSHORBNIDHT-XMMPIXPASA-N 1 1 403.574 4.371 40 0 HIABMO COc1ccc(C[N@@H+](CC2=Cc3ccc(OC)cc3OC2)C2CCN(C)CC2)cc1 ZINC000036751972 558802681 /nfs/dbraw/zinc/80/26/81/558802681.db2.gz ZDEWZYWKUGNCCQ-UHFFFAOYSA-N 1 1 408.542 4.076 40 0 HIABMO COc1ccc(CN(CC2=Cc3ccc(OC)cc3OC2)C2CC[NH+](C)CC2)cc1 ZINC000036751972 558802683 /nfs/dbraw/zinc/80/26/83/558802683.db2.gz ZDEWZYWKUGNCCQ-UHFFFAOYSA-N 1 1 408.542 4.076 40 0 HIABMO CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834576 558817830 /nfs/dbraw/zinc/81/78/30/558817830.db2.gz GJCZYTHZJVNTDY-QGZVFWFLSA-N 1 1 400.906 4.367 40 0 HIABMO O=C(C1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019014864 558837011 /nfs/dbraw/zinc/83/70/11/558837011.db2.gz DFFPNBZEADOWEH-NRFANRHFSA-N 1 1 412.578 4.117 40 0 HIABMO COc1ccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CC[N@@H+](Cc4cccc(C)c4)C[C@@H]23)cc1 ZINC000019235061 558854140 /nfs/dbraw/zinc/85/41/40/558854140.db2.gz INEUESGONWOPRW-SDHOMARFSA-N 1 1 404.554 4.230 40 0 HIABMO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019234977 558854243 /nfs/dbraw/zinc/85/42/43/558854243.db2.gz JZOGPXCTMRWNJS-OAQYLSRUSA-N 1 1 416.573 4.165 40 0 HIABMO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000019334042 558869125 /nfs/dbraw/zinc/86/91/25/558869125.db2.gz HKAKAVPTLBPWFO-SFHVURJKSA-N 1 1 410.905 4.033 40 0 HIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3OC3CCCC3)C[C@H]2c2ccccn2)N1 ZINC000019349454 558875211 /nfs/dbraw/zinc/87/52/11/558875211.db2.gz VOPKDUGZLLBVLD-BKMJKUGQSA-N 1 1 419.569 4.431 40 0 HIABMO c1[nH]nc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371077 558878947 /nfs/dbraw/zinc/87/89/47/558878947.db2.gz KDOCGIQKKTYYDL-NRFANRHFSA-N 1 1 416.573 4.279 40 0 HIABMO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000019401848 558883834 /nfs/dbraw/zinc/88/38/34/558883834.db2.gz KRANBUAFKKEVIO-VABKMULXSA-N 1 1 421.541 4.413 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)c(F)c1 ZINC000019446655 558886490 /nfs/dbraw/zinc/88/64/90/558886490.db2.gz MOXYPZMOOYKHIW-YADARESESA-N 1 1 413.537 4.345 40 0 HIABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449578 558887962 /nfs/dbraw/zinc/88/79/62/558887962.db2.gz FXVNZXAJICYNLF-AREMUKBSSA-N 1 1 414.553 4.103 40 0 HIABMO C[C@@H](NC(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1)c1cc2cc(Cl)ccc2o1 ZINC000019458507 558892573 /nfs/dbraw/zinc/89/25/73/558892573.db2.gz ZSTLIDHLKKPAHT-CVEARBPZSA-N 1 1 403.954 4.070 40 0 HIABMO CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019528751 558910166 /nfs/dbraw/zinc/91/01/66/558910166.db2.gz RPUDIBQAUXBSHC-SANMLTNESA-N 1 1 414.553 4.105 40 0 HIABMO CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019528753 558910213 /nfs/dbraw/zinc/91/02/13/558910213.db2.gz XBQRHRNHLSZMEG-SANMLTNESA-N 1 1 414.553 4.105 40 0 HIABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000019529123 558910808 /nfs/dbraw/zinc/91/08/08/558910808.db2.gz AHDQQUVTOGMZHN-MHZLTWQESA-N 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Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)n1 ZINC000072330419 558934548 /nfs/dbraw/zinc/93/45/48/558934548.db2.gz KMNUVGFFIYVUJY-GCJKJVERSA-N 1 1 406.555 4.230 40 0 HIABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](CC2CCCCC2)C1 ZINC000019591267 558941724 /nfs/dbraw/zinc/94/17/24/558941724.db2.gz JCPBJSQAANRTCH-VWLOTQADSA-N 1 1 406.574 4.095 40 0 HIABMO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC000072352306 558948602 /nfs/dbraw/zinc/94/86/02/558948602.db2.gz RRJUZMWCJYYYOA-QGZVFWFLSA-N 1 1 422.598 4.490 40 0 HIABMO COc1ccccc1OCCN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](C)C1 ZINC000072352580 558949175 /nfs/dbraw/zinc/94/91/75/558949175.db2.gz VSGPTYYCWGDIOP-KRWDZBQOSA-N 1 1 424.566 4.480 40 0 HIABMO Cc1nc2c(C)cccn2c1C[N@@H+]1CCC[C@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 ZINC000072353760 558950938 /nfs/dbraw/zinc/95/09/38/558950938.db2.gz GAFJCNACZHLPCW-FQEVSTJZSA-N 1 1 414.557 4.435 40 0 HIABMO O=C(CCCc1ccccc1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355229 558952541 /nfs/dbraw/zinc/95/25/41/558952541.db2.gz DEWHEIRWLNDDOQ-QHCPKHFHSA-N 1 1 405.586 4.350 40 0 HIABMO O=C(Cc1c[nH]c2ccccc12)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355180 558952554 /nfs/dbraw/zinc/95/25/54/558952554.db2.gz VCAIDFMHNWNDQS-HXUWFJFHSA-N 1 1 416.569 4.051 40 0 HIABMO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)NC1CCCCC1 ZINC000072358590 558954123 /nfs/dbraw/zinc/95/41/23/558954123.db2.gz MWVJRKVBWJVLFW-SFHVURJKSA-N 1 1 412.965 4.425 40 0 HIABMO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)NC1CCCCC1 ZINC000072358590 558954125 /nfs/dbraw/zinc/95/41/25/558954125.db2.gz MWVJRKVBWJVLFW-SFHVURJKSA-N 1 1 412.965 4.425 40 0 HIABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000019687611 558957365 /nfs/dbraw/zinc/95/73/65/558957365.db2.gz GHBDAWVHPCGSST-NRFANRHFSA-N 1 1 421.589 4.068 40 0 HIABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4ccc(-c5cnc(N)nc5)cn4)C3)ccc2O1 ZINC000019689301 558958770 /nfs/dbraw/zinc/95/87/70/558958770.db2.gz HJPCEKUZZAPOKU-IBGZPJMESA-N 1 1 415.541 4.214 40 0 HIABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+]3CC(=O)N(C)C3CCCCC3)n2)n1 ZINC000072375152 558963630 /nfs/dbraw/zinc/96/36/30/558963630.db2.gz CKSSWWSXKWSAKZ-OAQYLSRUSA-N 1 1 422.577 4.160 40 0 HIABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+]3CC(=O)N(C)C3CCCCC3)n2)n1 ZINC000072375152 558963631 /nfs/dbraw/zinc/96/36/31/558963631.db2.gz CKSSWWSXKWSAKZ-OAQYLSRUSA-N 1 1 422.577 4.160 40 0 HIABMO CCn1cc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)cn1 ZINC000072376648 558966112 /nfs/dbraw/zinc/96/61/12/558966112.db2.gz LMHDFZGDMOYCNS-QFIPXVFZSA-N 1 1 420.561 4.162 40 0 HIABMO CCn1cc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)cn1 ZINC000072376648 558966114 /nfs/dbraw/zinc/96/61/14/558966114.db2.gz LMHDFZGDMOYCNS-QFIPXVFZSA-N 1 1 420.561 4.162 40 0 HIABMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 ZINC000072392975 558972780 /nfs/dbraw/zinc/97/27/80/558972780.db2.gz JXHYARFJLCYXHH-QGZVFWFLSA-N 1 1 417.488 4.140 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072394014 558973194 /nfs/dbraw/zinc/97/31/94/558973194.db2.gz FAEFAUPPCLTYFE-DEOSSOPVSA-N 1 1 423.488 4.264 40 0 HIABMO CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CC[NH+](Cc2ccncc2)CC1 ZINC000072393958 558973244 /nfs/dbraw/zinc/97/32/44/558973244.db2.gz DNKPBKXEMARZAB-UHFFFAOYSA-N 1 1 419.525 4.433 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072394042 558973275 /nfs/dbraw/zinc/97/32/75/558973275.db2.gz GLUTZJUMVBXZNV-VWLOTQADSA-N 1 1 419.525 4.433 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072394068 558973289 /nfs/dbraw/zinc/97/32/89/558973289.db2.gz BUALUNSRGCJFMP-VWLOTQADSA-N 1 1 419.525 4.433 40 0 HIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000072394070 558973576 /nfs/dbraw/zinc/97/35/76/558973576.db2.gz BEKCLSSAUBVLQN-VWLOTQADSA-N 1 1 419.525 4.433 40 0 HIABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072395951 558974962 /nfs/dbraw/zinc/97/49/62/558974962.db2.gz IUVLBXXSUKXGPM-RUZDIDTESA-N 1 1 418.541 4.006 40 0 HIABMO c1csc(-c2cnc(N3CC[NH+](Cc4ccncc4)CC3)nc2-c2nccs2)c1 ZINC000072396541 558975405 /nfs/dbraw/zinc/97/54/05/558975405.db2.gz JJJOHFVEGLWGJZ-UHFFFAOYSA-N 1 1 420.567 4.046 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(F)c1 ZINC000072398625 558976259 /nfs/dbraw/zinc/97/62/59/558976259.db2.gz XLJLBMJSIJCIHN-AVRDEDQJSA-N 1 1 413.537 4.345 40 0 HIABMO O=C1CCCN1c1ccc(C[N@@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000019715956 558977284 /nfs/dbraw/zinc/97/72/84/558977284.db2.gz HJEBVBQVGJBECP-GOSISDBHSA-N 1 1 406.505 4.284 40 0 HIABMO O=C1CCCN1c1ccc(C[N@H+]2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000019715956 558977286 /nfs/dbraw/zinc/97/72/86/558977286.db2.gz HJEBVBQVGJBECP-GOSISDBHSA-N 1 1 406.505 4.284 40 0 HIABMO O=C1CCCN1c1ccc(C[N@@H+]2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000019715956 558977288 /nfs/dbraw/zinc/97/72/88/558977288.db2.gz HJEBVBQVGJBECP-GOSISDBHSA-N 1 1 406.505 4.284 40 0 HIABMO Cc1[nH+]ccn1CC1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000019718289 558981385 /nfs/dbraw/zinc/98/13/85/558981385.db2.gz GKEHQWZWBUWSCM-UHFFFAOYSA-N 1 1 411.509 4.354 40 0 HIABMO Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100312 559023825 /nfs/dbraw/zinc/02/38/25/559023825.db2.gz AWTDGTJIKISBLZ-QFIPXVFZSA-N 1 1 403.473 4.231 40 0 HIABMO Cc1nc(CN2C(=O)CC[C@]23CCC[N@@H+](Cc2ccc(F)cc2F)CC3)cs1 ZINC000585100584 559024158 /nfs/dbraw/zinc/02/41/58/559024158.db2.gz ORJUDPVWHYZPIK-NRFANRHFSA-N 1 1 405.514 4.277 40 0 HIABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2 ZINC000585102087 559025273 /nfs/dbraw/zinc/02/52/73/559025273.db2.gz QSFNDOWYDNADDY-RUZDIDTESA-N 1 1 419.525 4.091 40 0 HIABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2 ZINC000585102087 559025275 /nfs/dbraw/zinc/02/52/75/559025275.db2.gz QSFNDOWYDNADDY-RUZDIDTESA-N 1 1 419.525 4.091 40 0 HIABMO Cc1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CC[C@@H]32)s1 ZINC000585107944 559029765 /nfs/dbraw/zinc/02/97/65/559029765.db2.gz HJZQZXWJSWBFPO-NBYUQASBSA-N 1 1 415.990 4.250 40 0 HIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)cc1 ZINC000585274249 559118655 /nfs/dbraw/zinc/11/86/55/559118655.db2.gz USXMUYVVPYCLHY-HSZRJFAPSA-N 1 1 416.949 4.403 40 0 HIABMO C[C@@]1(O)CC[N@H+](Cc2ccc(F)cc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289865 560031212 /nfs/dbraw/zinc/03/12/12/560031212.db2.gz KXZHWXLHWVKNTK-QNWVGRARSA-N 1 1 416.562 4.260 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@@H+](Cc2ccc(F)cc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289865 560031214 /nfs/dbraw/zinc/03/12/14/560031214.db2.gz KXZHWXLHWVKNTK-QNWVGRARSA-N 1 1 416.562 4.260 40 0 biogenic,in-vitro HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161827 560601969 /nfs/dbraw/zinc/60/19/69/560601969.db2.gz UXDRRDKIULXXGO-BTYIYWSLSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161827 560601970 /nfs/dbraw/zinc/60/19/70/560601970.db2.gz UXDRRDKIULXXGO-BTYIYWSLSA-N 1 1 422.577 4.098 40 0 HIABMO c1ccc(OC2CCCC2)c(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000013569072 560814233 /nfs/dbraw/zinc/81/42/33/560814233.db2.gz ZUVNKYMRUUXXOJ-UHFFFAOYSA-N 1 1 409.574 4.128 40 0 HIABMO c1ccc(OC2CCCC2)c(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000013569072 560814234 /nfs/dbraw/zinc/81/42/34/560814234.db2.gz ZUVNKYMRUUXXOJ-UHFFFAOYSA-N 1 1 409.574 4.128 40 0 HIABMO c1ccc(OC2CCCC2)c(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)c1 ZINC000013569072 560814235 /nfs/dbraw/zinc/81/42/35/560814235.db2.gz ZUVNKYMRUUXXOJ-UHFFFAOYSA-N 1 1 409.574 4.128 40 0 HIABMO Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020121768 560880846 /nfs/dbraw/zinc/88/08/46/560880846.db2.gz KSNGCNJSSOLAQH-DEOSSOPVSA-N 1 1 416.573 4.004 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773445 568497648 /nfs/dbraw/zinc/49/76/48/568497648.db2.gz HKGRMKDWBQAIJM-LAUBAEHRSA-N 1 1 417.575 4.030 40 0 HIABMO Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)n2)c1 ZINC000222595487 568519830 /nfs/dbraw/zinc/51/98/30/568519830.db2.gz TWRLVNLGLHTIBN-LJQANCHMSA-N 1 1 424.932 4.227 40 0 HIABMO Cc1cccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1C ZINC000223960387 568564519 /nfs/dbraw/zinc/56/45/19/568564519.db2.gz MENXPTFMASNJNF-FQEVSTJZSA-N 1 1 400.950 4.364 40 0 HIABMO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000224548193 568584550 /nfs/dbraw/zinc/58/45/50/568584550.db2.gz IZACCTGVQCIXPR-UHFFFAOYSA-N 1 1 417.347 4.446 40 0 HIABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OCc2ccccc2)c1 ZINC000224733367 568594181 /nfs/dbraw/zinc/59/41/81/568594181.db2.gz MRSUWCNDWMMKOQ-UHFFFAOYSA-N 1 1 416.521 4.028 40 0 HIABMO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225578374 568653543 /nfs/dbraw/zinc/65/35/43/568653543.db2.gz IYELGERUWQGWTN-UHFFFAOYSA-N 1 1 418.896 4.425 40 0 HIABMO Cc1nc(C(C)C)ncc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225791313 568674823 /nfs/dbraw/zinc/67/48/23/568674823.db2.gz ILFOJDNCSTWYDX-UHFFFAOYSA-N 1 1 414.553 4.456 40 0 HIABMO CC(C)C(NC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)C(C)C ZINC000059436972 568704093 /nfs/dbraw/zinc/70/40/93/568704093.db2.gz PPISIHKHEFAPLY-UHFFFAOYSA-N 1 1 407.602 4.415 40 0 HIABMO COCC(=O)N1CCC2(C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2c2ccccc2)CC1 ZINC000257203351 568777191 /nfs/dbraw/zinc/77/71/91/568777191.db2.gz APPPJQMBVKXPGP-QFIPXVFZSA-N 1 1 412.961 4.195 40 0 HIABMO CC(C)c1cc(C(=O)N2[C@@H]3CCC[C@@H]4[N@@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)[nH]n1 ZINC000257212747 568779772 /nfs/dbraw/zinc/77/97/72/568779772.db2.gz CESYFDAFIHGAGG-WHGMEAMLSA-N 1 1 406.574 4.232 40 0 HIABMO CC(C)c1cc(C(=O)N2[C@@H]3CCC[C@@H]4[N@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n[nH]1 ZINC000257212747 568779774 /nfs/dbraw/zinc/77/97/74/568779774.db2.gz CESYFDAFIHGAGG-WHGMEAMLSA-N 1 1 406.574 4.232 40 0 HIABMO CC(C)c1cc(C(=O)N2[C@@H]3CCC[C@@H]4[N@@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n[nH]1 ZINC000257212747 568779775 /nfs/dbraw/zinc/77/97/75/568779775.db2.gz CESYFDAFIHGAGG-WHGMEAMLSA-N 1 1 406.574 4.232 40 0 HIABMO O=C1CCCC[C@]2(C[N@H+](Cc3ccnc4ccccc34)C[C@H]2c2ccc(F)cc2)N1 ZINC000257238207 568787144 /nfs/dbraw/zinc/78/71/44/568787144.db2.gz HJZKVWCXVSMKNH-WIOPSUGQSA-N 1 1 403.501 4.402 40 0 HIABMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C)c(CC(=O)N3CCCCC3)c(C)n2)C1 ZINC000257286217 568800495 /nfs/dbraw/zinc/80/04/95/568800495.db2.gz PKTJXNHNNUAZBS-HSZRJFAPSA-N 1 1 420.601 4.336 40 0 HIABMO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000257322022 568811085 /nfs/dbraw/zinc/81/10/85/568811085.db2.gz WEHOEOXREYMSFE-VWLOTQADSA-N 1 1 414.509 4.004 40 0 HIABMO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000257322021 568811107 /nfs/dbraw/zinc/81/11/07/568811107.db2.gz WEHOEOXREYMSFE-RUZDIDTESA-N 1 1 414.509 4.004 40 0 HIABMO Fc1ccccc1-c1ccccc1C[N@H+]1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257332651 568813994 /nfs/dbraw/zinc/81/39/94/568813994.db2.gz XYDOUKGUZKJPGN-LJQANCHMSA-N 1 1 416.500 4.227 40 0 HIABMO Fc1ccccc1-c1cncc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000257337626 568815371 /nfs/dbraw/zinc/81/53/71/568815371.db2.gz YTPMYHNGVRNDMZ-XMMPIXPASA-N 1 1 400.457 4.404 40 0 HIABMO Fc1ccccc1-c1cncc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000257337626 568815372 /nfs/dbraw/zinc/81/53/72/568815372.db2.gz YTPMYHNGVRNDMZ-XMMPIXPASA-N 1 1 400.457 4.404 40 0 HIABMO Cc1ccsc1C[N@@H+]1CCN(C)[C@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306134872 568896682 /nfs/dbraw/zinc/89/66/82/568896682.db2.gz OAJSHIJMZCEOHP-NRFANRHFSA-N 1 1 403.555 4.255 40 0 HIABMO Cc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306137350 568899193 /nfs/dbraw/zinc/89/91/93/568899193.db2.gz QUDGLTYIGFJWNH-NFBKMPQASA-N 1 1 412.603 4.062 40 0 HIABMO c1cc(CN2CCC3(CC2)Oc2ccccc2-c2c3cnn2CC[NH+]2CCCC2)co1 ZINC000306139120 568900953 /nfs/dbraw/zinc/90/09/53/568900953.db2.gz SPVMBGPTNWWJFV-UHFFFAOYSA-N 1 1 418.541 4.123 40 0 HIABMO O=C(c1cnc2c(F)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198960 569058933 /nfs/dbraw/zinc/05/89/33/569058933.db2.gz NMMRQOVLVLCJGO-XQYWTEMXSA-N 1 1 421.516 4.115 40 0 HIABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@H]21 ZINC000245227766 569313692 /nfs/dbraw/zinc/31/36/92/569313692.db2.gz UPSVTWZBYSGRDW-MSYCTHLASA-N 1 1 424.932 4.437 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000009062654 569342188 /nfs/dbraw/zinc/34/21/88/569342188.db2.gz BUZMHRZCBKJMKN-KDURUIRLSA-N 1 1 406.014 4.036 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000009062654 569342189 /nfs/dbraw/zinc/34/21/89/569342189.db2.gz BUZMHRZCBKJMKN-KDURUIRLSA-N 1 1 406.014 4.036 40 0 HIABMO C[C@H](C[N@H+]1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1)c1ccccc1 ZINC000019456161 569345550 /nfs/dbraw/zinc/34/55/50/569345550.db2.gz XYROXZOIPUUQIU-BWKNWUBXSA-N 1 1 413.565 4.485 40 0 HIABMO COc1ccc(-c2nccnc2[C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000019693399 569428420 /nfs/dbraw/zinc/42/84/20/569428420.db2.gz IAKHLZMQJSXNMX-HSZRJFAPSA-N 1 1 412.493 4.274 40 0 HIABMO COc1ccc(-c2nccnc2[C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000019693399 569428421 /nfs/dbraw/zinc/42/84/21/569428421.db2.gz IAKHLZMQJSXNMX-HSZRJFAPSA-N 1 1 412.493 4.274 40 0 HIABMO COc1ccccc1/C=C/C[N@H+]1[C@H](Cc2ccccc2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712125 569429038 /nfs/dbraw/zinc/42/90/38/569429038.db2.gz JBZBQEMABHFCIF-HJCSMPQISA-N 1 1 404.554 4.453 40 0 HIABMO COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044786528 521988653 /nfs/dbraw/zinc/98/86/53/521988653.db2.gz DTHRDQNMTZVXKF-SFHVURJKSA-N 1 1 400.906 4.286 40 0 HIABMO COc1ccc2c(c1)C=C(C[N@@H+](CCCn1ccnc1)Cc1ccccc1F)CO2 ZINC000043277846 525511032 /nfs/dbraw/zinc/51/10/32/525511032.db2.gz KWHUTXRYGNURCU-UHFFFAOYSA-N 1 1 407.489 4.399 40 0 HIABMO COc1cc2c(cc1OC)CC(C)(C)[N@H+](Cc1cc(OC)c(OC)c(OC)c1)C2 ZINC000005705924 557669384 /nfs/dbraw/zinc/66/93/84/557669384.db2.gz HFSUEAPPWUQOMC-UHFFFAOYSA-N 1 1 401.503 4.067 40 0 HIABMO COc1cc2c(cc1OC)CC(C)(C)[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)C2 ZINC000005705924 557669389 /nfs/dbraw/zinc/66/93/89/557669389.db2.gz HFSUEAPPWUQOMC-UHFFFAOYSA-N 1 1 401.503 4.067 40 0 HIABMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@@H]21 ZINC000035360882 557697010 /nfs/dbraw/zinc/69/70/10/557697010.db2.gz UPSVTWZBYSGRDW-SFYKDHMMSA-N 1 1 424.932 4.437 40 0 HIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)N1CCCCC1 ZINC000019766083 558278236 /nfs/dbraw/zinc/27/82/36/558278236.db2.gz OZQKVTGFMSDJBO-OAQYLSRUSA-N 1 1 417.557 4.272 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000020111793 558336128 /nfs/dbraw/zinc/33/61/28/558336128.db2.gz QTWHTBUHERHJJK-KDURUIRLSA-N 1 1 402.560 4.125 40 0 HIABMO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2[nH]c3ccc(F)cc3c2C)n1 ZINC000012185988 558345159 /nfs/dbraw/zinc/34/51/59/558345159.db2.gz AFCKEVADYQBKNK-IBGZPJMESA-N 1 1 410.493 4.085 40 0 HIABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2[nH]c3ccc(F)cc3c2C)n1 ZINC000012185988 558345160 /nfs/dbraw/zinc/34/51/60/558345160.db2.gz AFCKEVADYQBKNK-IBGZPJMESA-N 1 1 410.493 4.085 40 0 HIABMO COc1ccc(C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]2CCCO2)cc1OC ZINC000012187360 558346317 /nfs/dbraw/zinc/34/63/17/558346317.db2.gz MYYQVVQDUQPAPC-JOCHJYFZSA-N 1 1 407.514 4.071 40 0 HIABMO COc1ccc(C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]2CCCO2)cc1OC ZINC000012187360 558346319 /nfs/dbraw/zinc/34/63/19/558346319.db2.gz MYYQVVQDUQPAPC-JOCHJYFZSA-N 1 1 407.514 4.071 40 0 HIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000012222145 558356124 /nfs/dbraw/zinc/35/61/24/558356124.db2.gz KPLVDPJQIYQJBD-XMMPIXPASA-N 1 1 423.488 4.264 40 0 HIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039765992 558685876 /nfs/dbraw/zinc/68/58/76/558685876.db2.gz IGEXRNWKHLYJRX-LJQANCHMSA-N 1 1 424.004 4.462 40 0 HIABMO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039753779 558687226 /nfs/dbraw/zinc/68/72/26/558687226.db2.gz NLNUCNXHYMQXBH-QFIPXVFZSA-N 1 1 406.014 4.323 40 0 HIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039753779 558687228 /nfs/dbraw/zinc/68/72/28/558687228.db2.gz NLNUCNXHYMQXBH-QFIPXVFZSA-N 1 1 406.014 4.323 40 0 HIABMO O=C1C[C@H]([NH+]2CCC(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000015084278 558720023 /nfs/dbraw/zinc/72/00/23/558720023.db2.gz FVVWCJCVWCZGDM-FQEVSTJZSA-N 1 1 400.881 4.066 40 0 HIABMO CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030939696 558745425 /nfs/dbraw/zinc/74/54/25/558745425.db2.gz XAERNABGDCUZRD-IBGZPJMESA-N 1 1 411.521 4.206 40 0 HIABMO COc1ccc(OC)c(C[N@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000019117080 558842265 /nfs/dbraw/zinc/84/22/65/558842265.db2.gz XNDRUKDSFQQENG-AWEZNQCLSA-N 1 1 420.435 4.063 40 0 HIABMO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]2c2ccncc2)N1 ZINC000019330895 558868154 /nfs/dbraw/zinc/86/81/54/558868154.db2.gz AQMCDLQOAWPWGU-UKILVPOCSA-N 1 1 405.542 4.041 40 0 HIABMO Fc1cccc(-c2cccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)c2)c1 ZINC000019331376 558868367 /nfs/dbraw/zinc/86/83/67/558868367.db2.gz HDJGGXJRSIHWMQ-UHFFFAOYSA-N 1 1 405.517 4.222 40 0 HIABMO O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000019401845 558883809 /nfs/dbraw/zinc/88/38/09/558883809.db2.gz XYSUWFQIVYPFDR-YPAWHYETSA-N 1 1 421.541 4.413 40 0 HIABMO C[C@H](NC(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1)c1cc2cc(Cl)ccc2o1 ZINC000019458506 558892646 /nfs/dbraw/zinc/89/26/46/558892646.db2.gz ZSTLIDHLKKPAHT-JKSUJKDBSA-N 1 1 403.954 4.070 40 0 HIABMO CC1(C)CCCN(C(=O)C[N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](c3csnn3)C2)C1 ZINC000019461207 558893602 /nfs/dbraw/zinc/89/36/02/558893602.db2.gz XCKNRGQGMXUVDK-ZWKOTPCHSA-N 1 1 418.994 4.023 40 0 HIABMO CC1(C)CCCN(C(=O)C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](c3csnn3)C2)C1 ZINC000019461207 558893605 /nfs/dbraw/zinc/89/36/05/558893605.db2.gz XCKNRGQGMXUVDK-ZWKOTPCHSA-N 1 1 418.994 4.023 40 0 HIABMO CCC(=O)Nc1cc([C@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C)ccc1OC ZINC000019499310 558897489 /nfs/dbraw/zinc/89/74/89/558897489.db2.gz NIGKHVSYIHGVFF-YCRPNKLZSA-N 1 1 407.514 4.178 40 0 HIABMO CCC(=O)Nc1cc([C@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C)ccc1OC ZINC000019499310 558897490 /nfs/dbraw/zinc/89/74/90/558897490.db2.gz NIGKHVSYIHGVFF-YCRPNKLZSA-N 1 1 407.514 4.178 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502946 558900412 /nfs/dbraw/zinc/90/04/12/558900412.db2.gz GKNVNRGOJZBEDA-VWLOTQADSA-N 1 1 414.553 4.057 40 0 HIABMO CCOCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)ccc1OC ZINC000019531076 558911646 /nfs/dbraw/zinc/91/16/46/558911646.db2.gz RIVSSOGBENOQON-OFFJZUQKSA-N 1 1 411.542 4.255 40 0 HIABMO COc1ccc(C[N@@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@@H]2CCCO2)cc1 ZINC000019554843 558917653 /nfs/dbraw/zinc/91/76/53/558917653.db2.gz UOMUVSOGXTYNNX-DEOSSOPVSA-N 1 1 419.525 4.342 40 0 HIABMO COc1ccc(C[N@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@@H]2CCCO2)cc1 ZINC000019554843 558917655 /nfs/dbraw/zinc/91/76/55/558917655.db2.gz UOMUVSOGXTYNNX-DEOSSOPVSA-N 1 1 419.525 4.342 40 0 HIABMO COc1ccc(C[N@@H+](Cc2c(C)nn(C(C)C)c2C)C[C@H]2CCCO2)cc1OC ZINC000019577426 558933063 /nfs/dbraw/zinc/93/30/63/558933063.db2.gz FVRWPRDRLVTTIX-HXUWFJFHSA-N 1 1 401.551 4.279 40 0 HIABMO COc1ccc(C[N@H+](Cc2c(C)nn(C(C)C)c2C)C[C@H]2CCCO2)cc1OC ZINC000019577426 558933064 /nfs/dbraw/zinc/93/30/64/558933064.db2.gz FVRWPRDRLVTTIX-HXUWFJFHSA-N 1 1 401.551 4.279 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000072352335 558948472 /nfs/dbraw/zinc/94/84/72/558948472.db2.gz VKXIHLRLAANRRG-IBGZPJMESA-N 1 1 408.567 4.310 40 0 HIABMO O=C(CCc1ccc(F)cc1)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355235 558952646 /nfs/dbraw/zinc/95/26/46/558952646.db2.gz CQSYNEQLUDBZBW-OAQYLSRUSA-N 1 1 409.549 4.099 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361005 558955725 /nfs/dbraw/zinc/95/57/25/558955725.db2.gz MGAPHMWQVDUZKF-INIZCTEOSA-N 1 1 402.523 4.194 40 0 HIABMO C[NH+](C)[C@@H](C(=O)N1CCC(c2ccc(-c3cc[nH]n3)cn2)CC1)c1ccc(Cl)cc1 ZINC000019687823 558957273 /nfs/dbraw/zinc/95/72/73/558957273.db2.gz NVZZTLUWHRZOTN-JOCHJYFZSA-N 1 1 423.948 4.134 40 0 HIABMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C1)CO2 ZINC000019688708 558958112 /nfs/dbraw/zinc/95/81/12/558958112.db2.gz VNNVJIKMUVUHCS-FQEVSTJZSA-N 1 1 416.525 4.146 40 0 HIABMO COc1ccc2c(C[N@H+]3CCC[C@@H](c4ccc(-c5cncnc5)cn4)C3)cn(C)c2c1 ZINC000019689295 558958511 /nfs/dbraw/zinc/95/85/11/558958511.db2.gz VTGUFKMWMCWINR-LJQANCHMSA-N 1 1 413.525 4.419 40 0 HIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+]3Cc3cccc(OC)c3)c2)cn1 ZINC000019691036 558960549 /nfs/dbraw/zinc/96/05/49/558960549.db2.gz RQZFNNNNQBVSSO-XMMPIXPASA-N 1 1 416.525 4.157 40 0 HIABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 ZINC000072376672 558966187 /nfs/dbraw/zinc/96/61/87/558966187.db2.gz UUNSMEWXYNJUNT-LJQANCHMSA-N 1 1 402.546 4.026 40 0 HIABMO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1cccnc1 ZINC000072380063 558967978 /nfs/dbraw/zinc/96/79/78/558967978.db2.gz HBRSZYSANCMWMA-IBGZPJMESA-N 1 1 423.582 4.006 40 0 HIABMO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ccccn1 ZINC000072380079 558968031 /nfs/dbraw/zinc/96/80/31/558968031.db2.gz GFBGYQDRVFJYRE-IBGZPJMESA-N 1 1 423.582 4.006 40 0 HIABMO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@@H+]2Cc2oc3ccccc3c2C)n1 ZINC000019709756 558971729 /nfs/dbraw/zinc/97/17/29/558971729.db2.gz OVPLJMMZBPBGJA-HXUWFJFHSA-N 1 1 421.545 4.278 40 0 HIABMO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@H+]2Cc2oc3ccccc3c2C)n1 ZINC000019709756 558971730 /nfs/dbraw/zinc/97/17/30/558971730.db2.gz OVPLJMMZBPBGJA-HXUWFJFHSA-N 1 1 421.545 4.278 40 0 HIABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@H+]4C[C@H]4CCCO4)CC3)oc21 ZINC000585100855 559025512 /nfs/dbraw/zinc/02/55/12/559025512.db2.gz ZAXHYZFIEGOQGA-DVECYGJZSA-N 1 1 412.530 4.081 40 0 HIABMO O=C(Cc1ccccc1)N1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc12 ZINC000585105725 559026772 /nfs/dbraw/zinc/02/67/72/559026772.db2.gz DQMIAJZIUQACDF-UHFFFAOYSA-N 1 1 411.549 4.200 40 0 HIABMO Cc1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CC[C@H]32)s1 ZINC000585107942 559029735 /nfs/dbraw/zinc/02/97/35/559029735.db2.gz HJZQZXWJSWBFPO-IJXRJRJASA-N 1 1 415.990 4.250 40 0 HIABMO C[N@H+]1CCCN(C(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)CC1 ZINC000096154477 559098918 /nfs/dbraw/zinc/09/89/18/559098918.db2.gz LKILEWVKPOTSGR-UHFFFAOYSA-N 1 1 418.522 4.396 40 0 HIABMO O[C@H]1CC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282014 559119717 /nfs/dbraw/zinc/11/97/17/559119717.db2.gz FPCSBKLMSUICJI-OHCFRWENSA-N 1 1 415.961 4.243 40 0 HIABMO C[NH+]1CCN(CCCN2c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@H]32)CC1 ZINC000103654683 559156617 /nfs/dbraw/zinc/15/66/17/559156617.db2.gz RQVPJKVPRLTSPS-QUCCMNQESA-N 1 1 409.521 4.032 40 0 HIABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216485 559169500 /nfs/dbraw/zinc/16/95/00/559169500.db2.gz CBAWSYUGOGQGQA-FQEVSTJZSA-N 1 1 402.583 4.322 40 0 HIABMO C[N@H+]1CCC[C@H](CNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257216949 559282709 /nfs/dbraw/zinc/28/27/09/559282709.db2.gz CWUPIGSVGLWUMX-OAQYLSRUSA-N 1 1 424.560 4.290 40 0 HIABMO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2cc1C ZINC000000893749 560543482 /nfs/dbraw/zinc/54/34/82/560543482.db2.gz XWEQFTPOEVCSRX-JOCHJYFZSA-N 1 1 420.561 4.212 40 0 HIABMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@H]2CCCO2)cc1O ZINC000000904263 560544916 /nfs/dbraw/zinc/54/49/16/560544916.db2.gz DYMXLMFWFRIHKQ-CQSZACIVSA-N 1 1 418.291 4.069 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161810 560601892 /nfs/dbraw/zinc/60/18/92/560601892.db2.gz FOBAONIGDSKFQU-YCRPNKLZSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161810 560601893 /nfs/dbraw/zinc/60/18/93/560601893.db2.gz FOBAONIGDSKFQU-YCRPNKLZSA-N 1 1 422.577 4.098 40 0 HIABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000004847551 560609421 /nfs/dbraw/zinc/60/94/21/560609421.db2.gz BWQDRHPQQCPBFZ-NRFANRHFSA-N 1 1 422.577 4.474 40 0 HIABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000004847551 560609422 /nfs/dbraw/zinc/60/94/22/560609422.db2.gz BWQDRHPQQCPBFZ-NRFANRHFSA-N 1 1 422.577 4.474 40 0 HIABMO c1ccc(CCn2nnnc2[C@@H](c2ccc3ncccc3c2)[NH+]2CCCCCC2)cc1 ZINC000004851498 560611464 /nfs/dbraw/zinc/61/14/64/560611464.db2.gz CDRAYXQZIPVSTR-XMMPIXPASA-N 1 1 412.541 4.429 40 0 HIABMO CCOC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000004966422 560621674 /nfs/dbraw/zinc/62/16/74/560621674.db2.gz ODOJCSQJSNTUEV-UHFFFAOYSA-N 1 1 423.538 4.291 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N[C@H]4CCCC[C@H]4C)on3)C2)c1 ZINC000409412749 560723017 /nfs/dbraw/zinc/72/30/17/560723017.db2.gz JPEBFZYLMGIAJL-LMNJBCLMSA-N 1 1 411.546 4.371 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccc(-n3ccnc3C)cc2)C[C@@H]2CCCO2)cc1OC ZINC000013994216 560831598 /nfs/dbraw/zinc/83/15/98/560831598.db2.gz NISYBYUUGVRKHY-QHCPKHFHSA-N 1 1 421.541 4.379 40 0 HIABMO CN(CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000219423775 568491686 /nfs/dbraw/zinc/49/16/86/568491686.db2.gz SDCKDIJARWRENV-UHFFFAOYSA-N 1 1 417.956 4.334 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773443 568497708 /nfs/dbraw/zinc/49/77/08/568497708.db2.gz HKGRMKDWBQAIJM-UTKZUKDTSA-N 1 1 417.575 4.030 40 0 HIABMO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224547153 568584626 /nfs/dbraw/zinc/58/46/26/568584626.db2.gz CELBLYCJGCBFCL-UHFFFAOYSA-N 1 1 419.338 4.159 40 0 HIABMO CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](CC)CC3)o2)cc1 ZINC000224922497 568604282 /nfs/dbraw/zinc/60/42/82/568604282.db2.gz BWUXBZAEGXZYFQ-UHFFFAOYSA-N 1 1 405.498 4.185 40 0 HIABMO COc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)c2cccnc12 ZINC000225459308 568640037 /nfs/dbraw/zinc/64/00/37/568640037.db2.gz BHHJWKUOGISPOH-UHFFFAOYSA-N 1 1 403.511 4.224 40 0 HIABMO S=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000225742397 568670328 /nfs/dbraw/zinc/67/03/28/568670328.db2.gz BNGWEYYBLQNEGT-UHFFFAOYSA-N 1 1 404.377 4.184 40 0 HIABMO CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000225871691 568682414 /nfs/dbraw/zinc/68/24/14/568682414.db2.gz LRDMXOMBEMWMJX-UHFFFAOYSA-N 1 1 417.387 4.418 40 0 HIABMO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257204249 568777283 /nfs/dbraw/zinc/77/72/83/568777283.db2.gz ATRXGRJBFPRMSW-DHLKQENFSA-N 1 1 408.542 4.082 40 0 HIABMO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257204249 568777286 /nfs/dbraw/zinc/77/72/86/568777286.db2.gz ATRXGRJBFPRMSW-DHLKQENFSA-N 1 1 408.542 4.082 40 0 HIABMO CC(C)C[C@H]1C[N@@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)CC[C@H]1Nc1ccccc1 ZINC000257209598 568778923 /nfs/dbraw/zinc/77/89/23/568778923.db2.gz BQZSTMPWJXSFRO-RBBKRZOGSA-N 1 1 406.574 4.226 40 0 HIABMO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C(N)=O)cc2)nc1 ZINC000257213491 568779944 /nfs/dbraw/zinc/77/99/44/568779944.db2.gz CHUJMIYNMMXBLP-JOCHJYFZSA-N 1 1 401.514 4.011 40 0 HIABMO Cc1nc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc(C)c1CC(=O)N(C)C ZINC000257231570 568785260 /nfs/dbraw/zinc/78/52/60/568785260.db2.gz GHGXEAMXUPOTOY-MRXNPFEDSA-N 1 1 421.372 4.020 40 0 HIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc(C)c1CC(=O)N(C)C ZINC000257231570 568785261 /nfs/dbraw/zinc/78/52/61/568785261.db2.gz GHGXEAMXUPOTOY-MRXNPFEDSA-N 1 1 421.372 4.020 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257244293 568788710 /nfs/dbraw/zinc/78/87/10/568788710.db2.gz 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CCCOc1ccccc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)n[nH]1 ZINC000257302187 568804980 /nfs/dbraw/zinc/80/49/80/568804980.db2.gz SBVQOUZWKAOORW-ZZRIFKAOSA-N 1 1 422.573 4.343 40 0 HIABMO CCCOc1ccccc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)n[nH]1 ZINC000257302187 568804982 /nfs/dbraw/zinc/80/49/82/568804982.db2.gz SBVQOUZWKAOORW-ZZRIFKAOSA-N 1 1 422.573 4.343 40 0 HIABMO Cc1[nH+]ccn1CC(=O)N1CCC2(CC1)CO[C@@H]1c3ccc(C)cc3OC(C)(C)[C@H]1C2 ZINC000257308525 568806906 /nfs/dbraw/zinc/80/69/06/568806906.db2.gz TXAYZFRPSBVXGL-NZQKXSOJSA-N 1 1 423.557 4.058 40 0 HIABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cncc(Cc2cccc(F)c2)c1 ZINC000257340882 568816300 /nfs/dbraw/zinc/81/63/00/568816300.db2.gz ZHXQGEBSMBLXPB-ONTNHIFESA-N 1 1 407.533 4.289 40 0 HIABMO O=C1N(Cc2cccs2)CC[C@]12C[N@@H+](Cc1ccccc1)C[C@H]2c1nccs1 ZINC000306128664 568891435 /nfs/dbraw/zinc/89/14/35/568891435.db2.gz HHTRHXBPXRUMCB-SIKLNZKXSA-N 1 1 409.580 4.223 40 0 HIABMO Cc1cccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144382 568905928 /nfs/dbraw/zinc/90/59/28/568905928.db2.gz ZDSRTJYVWFOHFL-DHLKQENFSA-N 1 1 406.574 4.001 40 0 HIABMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2C)CC1 ZINC000026781600 569025630 /nfs/dbraw/zinc/02/56/30/569025630.db2.gz KKKUBAFRTVDVIK-LJQANCHMSA-N 1 1 409.357 4.172 40 0 HIABMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2C)CC1 ZINC000026781602 569025637 /nfs/dbraw/zinc/02/56/37/569025637.db2.gz KKKUBAFRTVDVIK-IBGZPJMESA-N 1 1 409.357 4.172 40 0 HIABMO COc1ccc2c(ccn2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000257199100 569059008 /nfs/dbraw/zinc/05/90/08/569059008.db2.gz SFHCSZLHAMASRL-DCDYHQBJSA-N 1 1 419.569 4.072 40 0 HIABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 ZINC000253602667 569318459 /nfs/dbraw/zinc/31/84/59/569318459.db2.gz QJSFELWRKPQBHH-LYHRCORUSA-N 1 1 405.542 4.020 40 0 HIABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000009062753 569342218 /nfs/dbraw/zinc/34/22/18/569342218.db2.gz MHHPONAMEGBQCH-HDICACEKSA-N 1 1 424.004 4.175 40 0 HIABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1 ZINC000019450862 569345418 /nfs/dbraw/zinc/34/54/18/569345418.db2.gz BJRBZQWKHCRGEZ-XUZZJYLKSA-N 1 1 407.558 4.348 40 0 HIABMO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CC[N@H+](C5CCCC5)C4)nc32)c1 ZINC000019696160 569346760 /nfs/dbraw/zinc/34/67/60/569346760.db2.gz FSLYTSBXPGGNLX-OAQYLSRUSA-N 1 1 418.585 4.347 40 0 HIABMO Cc1nc([C@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019738674 569348504 /nfs/dbraw/zinc/34/85/04/569348504.db2.gz OBAYCCSTMALQPL-QFIPXVFZSA-N 1 1 404.551 4.296 40 0 HIABMO Cc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044852459 569351981 /nfs/dbraw/zinc/35/19/81/569351981.db2.gz CPXDLIPEINJTDC-ICSRJNTNSA-N 1 1 400.950 4.444 40 0 HIABMO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2Cc2ccc(-n3cccn3)cc2)N1Cc1ccccc1 ZINC000019713862 569429065 /nfs/dbraw/zinc/42/90/65/569429065.db2.gz WJWJTIKBEANCEF-RPBOFIJWSA-N 1 1 414.553 4.418 40 0 HIABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](Cc4c[nH]c5ccccc45)C3)nc2c1 ZINC000049169124 291263288 /nfs/dbraw/zinc/26/32/88/291263288.db2.gz ZAXWVOKOUBNIOI-HNNXBMFYSA-N 1 1 409.511 4.092 40 0 biogenic,in-vitro HIABMO CN1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)CC1 ZINC000035425515 291263804 /nfs/dbraw/zinc/26/38/04/291263804.db2.gz YKECNROBMZZCLZ-FQEVSTJZSA-N 1 1 411.550 4.074 40 0 biogenic,in-vitro HIABMO CN1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)CC1 ZINC000035425515 291263805 /nfs/dbraw/zinc/26/38/05/291263805.db2.gz YKECNROBMZZCLZ-FQEVSTJZSA-N 1 1 411.550 4.074 40 0 biogenic,in-vitro HIABMO CCOC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911381 521541975 /nfs/dbraw/zinc/54/19/75/521541975.db2.gz NHLXBVCOKMNBIV-GOSISDBHSA-N 1 1 400.906 4.367 40 0 HIABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cnc(N3CCCCC3)nc2)s1 ZINC000043277883 524406729 /nfs/dbraw/zinc/40/67/29/524406729.db2.gz LSLBWCNCDTWBHG-UHFFFAOYSA-N 1 1 410.591 4.126 40 0 HIABMO COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908466 524969047 /nfs/dbraw/zinc/96/90/47/524969047.db2.gz LCTBWTLRTGOEFU-IEBWSBKVSA-N 1 1 416.949 4.144 40 0 HIABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000036719519 527011814 /nfs/dbraw/zinc/01/18/14/527011814.db2.gz RCDGKTQNBFLVAZ-PXNSSMCTSA-N 1 1 410.518 4.061 40 0 HIABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000036719518 527012624 /nfs/dbraw/zinc/01/26/24/527012624.db2.gz RCDGKTQNBFLVAZ-XLIONFOSSA-N 1 1 410.518 4.061 40 0 HIABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000044903068 527373723 /nfs/dbraw/zinc/37/37/23/527373723.db2.gz NYDMVJMAMBJZKL-UHFFFAOYSA-N 1 1 419.506 4.452 40 0 HIABMO C[N@@H+](CC[C@H]1c2ccccc2COc2ccccc21)C[C@H](O)COc1ccccc1 ZINC000001846320 557291809 /nfs/dbraw/zinc/29/18/09/557291809.db2.gz SZQLTQPHXXXMNC-URXFXBBRSA-N 1 1 403.522 4.473 40 0 in-man HIABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@@H]21 ZINC000035360884 557697034 /nfs/dbraw/zinc/69/70/34/557697034.db2.gz UPSVTWZBYSGRDW-YDHSSHFGSA-N 1 1 424.932 4.437 40 0 HIABMO Cc1cc(C)nc(NCCC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)n1 ZINC000019719827 558258109 /nfs/dbraw/zinc/25/81/09/558258109.db2.gz UDFAJMGQXWMMGY-UHFFFAOYSA-N 1 1 401.514 4.050 40 0 HIABMO Cc1cc(C)nc(NCCC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)n1 ZINC000019719827 558258113 /nfs/dbraw/zinc/25/81/13/558258113.db2.gz UDFAJMGQXWMMGY-UHFFFAOYSA-N 1 1 401.514 4.050 40 0 HIABMO Cc1nc([C@H]2CCC[N@H+]2CC(c2ccccc2)c2ccccc2)nc2c1CC(=O)N2C ZINC000019744278 558264752 /nfs/dbraw/zinc/26/47/52/558264752.db2.gz UTRZFBZNMROXOU-HSZRJFAPSA-N 1 1 412.537 4.273 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753333 558272428 /nfs/dbraw/zinc/27/24/28/558272428.db2.gz KHMXFKHUXPBLLN-JOCHJYFZSA-N 1 1 404.489 4.191 40 0 HIABMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753333 558272429 /nfs/dbraw/zinc/27/24/29/558272429.db2.gz KHMXFKHUXPBLLN-JOCHJYFZSA-N 1 1 404.489 4.191 40 0 HIABMO Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)CC3(O)CCCCC3)CC2)[nH+]1 ZINC000019758718 558275374 /nfs/dbraw/zinc/27/53/74/558275374.db2.gz QVKMMTNOWVFFRA-UHFFFAOYSA-N 1 1 414.594 4.006 40 0 HIABMO Cc1cc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c(C)n1-c1cccnc1 ZINC000012089320 558323607 /nfs/dbraw/zinc/32/36/07/558323607.db2.gz DQHJNLUYGKDVPA-NRFANRHFSA-N 1 1 402.498 4.234 40 0 HIABMO COc1ccc(-c2ccccc2)cc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C)O ZINC000012185717 558344948 /nfs/dbraw/zinc/34/49/48/558344948.db2.gz NWAUCLUEDNTRAF-GOSISDBHSA-N 1 1 405.494 4.474 40 0 HIABMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C2)CCCCC3)ccc1OCC(N)=O ZINC000012228117 558357341 /nfs/dbraw/zinc/35/73/41/558357341.db2.gz OIUYMHKLLTZGEX-OAQYLSRUSA-N 1 1 408.542 4.109 40 0 HIABMO CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cc1OC ZINC000012238584 558359206 /nfs/dbraw/zinc/35/92/06/558359206.db2.gz DRHVLTUZEUHNAZ-KEVCNVLYSA-N 1 1 411.542 4.222 40 0 HIABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cccc3c2C(=O)N(C)C3)cc1 ZINC000012241241 558360456 /nfs/dbraw/zinc/36/04/56/558360456.db2.gz NVTVUXPLEMAGKC-MJGOQNOKSA-N 1 1 405.542 4.045 40 0 HIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cnn(Cc2ccccc2)c1C)Cc1cccnc1 ZINC000022913670 558520504 /nfs/dbraw/zinc/52/05/04/558520504.db2.gz TZEGOVONKRRQBS-RUZDIDTESA-N 1 1 403.574 4.121 40 0 HIABMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000028220434 558693112 /nfs/dbraw/zinc/69/31/12/558693112.db2.gz VZYVJRQXNDGHKN-IBGZPJMESA-N 1 1 415.940 4.040 40 0 HIABMO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030939055 558745330 /nfs/dbraw/zinc/74/53/30/558745330.db2.gz ZSYPPYZNQREULR-INIZCTEOSA-N 1 1 404.869 4.116 40 0 HIABMO CC[N@H+]1CC[C@H](CCc2ccc(NC(=O)c3cccc4c3C(=O)N(C)C4)cc2)[C@H](C)C1 ZINC000036734968 558801400 /nfs/dbraw/zinc/80/14/00/558801400.db2.gz HSFUCFDYZBHSEG-QUCCMNQESA-N 1 1 419.569 4.435 40 0 HIABMO CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038854318 558819201 /nfs/dbraw/zinc/81/92/01/558819201.db2.gz BVNLHAIHWPPMRI-GOSISDBHSA-N 1 1 413.949 4.329 40 0 HIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019133465 558845797 /nfs/dbraw/zinc/84/57/97/558845797.db2.gz FLFXLRFQWQQBGS-LJQANCHMSA-N 1 1 407.518 4.160 40 0 HIABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019236846 558856028 /nfs/dbraw/zinc/85/60/28/558856028.db2.gz LXFLZVAOCGTPQK-HYBUGGRVSA-N 1 1 400.526 4.168 40 0 HIABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019236847 558856153 /nfs/dbraw/zinc/85/61/53/558856153.db2.gz LXFLZVAOCGTPQK-RDPSFJRHSA-N 1 1 400.526 4.168 40 0 HIABMO O=c1cc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc(-c2ccncc2)[nH]1 ZINC000019292612 558864425 /nfs/dbraw/zinc/86/44/25/558864425.db2.gz WUTCATSAZACOIB-CQSZACIVSA-N 1 1 401.297 4.128 40 0 HIABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292915 558864649 /nfs/dbraw/zinc/86/46/49/558864649.db2.gz JAHVJOUTFVWYTR-INIZCTEOSA-N 1 1 403.473 4.395 40 0 HIABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292915 558864652 /nfs/dbraw/zinc/86/46/52/558864652.db2.gz JAHVJOUTFVWYTR-INIZCTEOSA-N 1 1 403.473 4.395 40 0 HIABMO CC(C)CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000019446696 558886465 /nfs/dbraw/zinc/88/64/65/558886465.db2.gz FIWHNHFKRMTVBM-QHCPKHFHSA-N 1 1 401.501 4.475 40 0 HIABMO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449635 558888219 /nfs/dbraw/zinc/88/82/19/558888219.db2.gz RVBLKSWCPGBPQS-AREMUKBSSA-N 1 1 414.553 4.103 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503063 558900294 /nfs/dbraw/zinc/90/02/94/558900294.db2.gz MYXSATJREONUKW-RUZDIDTESA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503059 558900384 /nfs/dbraw/zinc/90/03/84/558900384.db2.gz BPLPOQFEHLEACS-RUZDIDTESA-N 1 1 414.553 4.057 40 0 HIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cnc(-c2ccc(OC)cc2)nc1)Cc1ccccn1 ZINC000019527177 558908339 /nfs/dbraw/zinc/90/83/39/558908339.db2.gz SSZNSKWADYFNFA-HSZRJFAPSA-N 1 1 417.557 4.034 40 0 HIABMO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019529139 558910891 /nfs/dbraw/zinc/91/08/91/558910891.db2.gz FLUUEIOPKYXKPL-SANMLTNESA-N 1 1 417.528 4.459 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(NC)nc(-c4cccnc4)n3)C2)cc1 ZINC000019533236 558912999 /nfs/dbraw/zinc/91/29/99/558912999.db2.gz UACGECBIGJHZKW-HXUWFJFHSA-N 1 1 403.530 4.359 40 0 HIABMO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1OC ZINC000019533849 558913229 /nfs/dbraw/zinc/91/32/29/558913229.db2.gz WTMLHAPKLBPOKK-HXUWFJFHSA-N 1 1 420.513 4.379 40 0 HIABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1OC ZINC000019533849 558913231 /nfs/dbraw/zinc/91/32/31/558913231.db2.gz WTMLHAPKLBPOKK-HXUWFJFHSA-N 1 1 420.513 4.379 40 0 HIABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+](Cc4cc(C)c(O)c(C)c4)C3)cc2n1 ZINC000019569957 558928734 /nfs/dbraw/zinc/92/87/34/558928734.db2.gz IUWNWQHBWMXWME-MRXNPFEDSA-N 1 1 404.436 4.368 40 0 HIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c1F ZINC000072330568 558934998 /nfs/dbraw/zinc/93/49/98/558934998.db2.gz OPOBWJKZYGNXNO-CVDCTZTESA-N 1 1 411.521 4.099 40 0 HIABMO Cn1cc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c2ccccc21 ZINC000072330567 558935005 /nfs/dbraw/zinc/93/50/05/558935005.db2.gz ZAWCIFMIKYXEES-NLFFAJNJSA-N 1 1 416.569 4.443 40 0 HIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C2CCC2)c2ccccn2)C1 ZINC000072330571 558935216 /nfs/dbraw/zinc/93/52/16/558935216.db2.gz DFYFKYDNKVXCGW-YKSBVNFPSA-N 1 1 407.558 4.268 40 0 HIABMO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072352543 558949011 /nfs/dbraw/zinc/94/90/11/558949011.db2.gz VJGVAOPAGDXNNB-INIZCTEOSA-N 1 1 402.523 4.194 40 0 HIABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353342 558950143 /nfs/dbraw/zinc/95/01/43/558950143.db2.gz SMAXSOPINDPAOV-IBGZPJMESA-N 1 1 418.545 4.084 40 0 HIABMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000019660943 558952104 /nfs/dbraw/zinc/95/21/04/558952104.db2.gz ATJWDGDMKKAXOW-QFIPXVFZSA-N 1 1 408.889 4.415 40 0 HIABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1cccnc1NC ZINC000072370485 558956869 /nfs/dbraw/zinc/95/68/69/558956869.db2.gz TVARJJHKQSOLMM-QGZVFWFLSA-N 1 1 408.571 4.295 40 0 HIABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1cccnc1N(C)C ZINC000072370491 558957001 /nfs/dbraw/zinc/95/70/01/558957001.db2.gz JYWXEGMVOJQALV-SFHVURJKSA-N 1 1 422.598 4.319 40 0 HIABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000072370669 558957239 /nfs/dbraw/zinc/95/72/39/558957239.db2.gz ILQUHHNTPKQDAB-SFHVURJKSA-N 1 1 400.588 4.475 40 0 HIABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)[nH]n2)cc1 ZINC000072371255 558957810 /nfs/dbraw/zinc/95/78/10/558957810.db2.gz RKWIUFLVNBDPDD-LJQANCHMSA-N 1 1 407.514 4.038 40 0 HIABMO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cccc(OC)c4)C3)n[nH]2)cc1 ZINC000072371255 558957812 /nfs/dbraw/zinc/95/78/12/558957812.db2.gz RKWIUFLVNBDPDD-LJQANCHMSA-N 1 1 407.514 4.038 40 0 HIABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)n[nH]2)cc1 ZINC000072371255 558957815 /nfs/dbraw/zinc/95/78/15/558957815.db2.gz RKWIUFLVNBDPDD-LJQANCHMSA-N 1 1 407.514 4.038 40 0 HIABMO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372584 558960118 /nfs/dbraw/zinc/96/01/18/558960118.db2.gz QDRFEKKRBQJSQC-NRFANRHFSA-N 1 1 404.518 4.165 40 0 HIABMO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694316 558962728 /nfs/dbraw/zinc/96/27/28/558962728.db2.gz IKFQWTZIZGEHST-OAQYLSRUSA-N 1 1 408.525 4.118 40 0 HIABMO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCC[N@H+]3C3CCCC3)nc21 ZINC000019695977 558964277 /nfs/dbraw/zinc/96/42/77/558964277.db2.gz IWSJVAQHTCRGNH-OAQYLSRUSA-N 1 1 420.557 4.353 40 0 HIABMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)cc1CO ZINC000072376441 558965877 /nfs/dbraw/zinc/96/58/77/558965877.db2.gz REBXAEZZUGTHDE-NRFANRHFSA-N 1 1 419.529 4.152 40 0 HIABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)cc1CO ZINC000072376441 558965878 /nfs/dbraw/zinc/96/58/78/558965878.db2.gz REBXAEZZUGTHDE-NRFANRHFSA-N 1 1 419.529 4.152 40 0 HIABMO CC(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1c2cccnc2[nH]c1C1CC1 ZINC000072395510 558974273 /nfs/dbraw/zinc/97/42/73/558974273.db2.gz FHPNYZMBQKZRGG-NHCUHLMSSA-N 1 1 402.542 4.181 40 0 HIABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc(OCc5ccccn5)cc4)C[C@@H]32)nc1 ZINC000072395428 558974320 /nfs/dbraw/zinc/97/43/20/558974320.db2.gz HXWPCGITNVCHQL-LJGDZFJRSA-N 1 1 415.537 4.094 40 0 HIABMO CC(C)c1snnc1C(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100426 559023994 /nfs/dbraw/zinc/02/39/94/559023994.db2.gz WEHXWTYUYBDXCC-JOCHJYFZSA-N 1 1 416.566 4.462 40 0 HIABMO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585099846 559024494 /nfs/dbraw/zinc/02/44/94/559024494.db2.gz HYYXEDBHLHNGTH-VWLOTQADSA-N 1 1 407.558 4.327 40 0 HIABMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccccc3)CC2)nc2ccccn12 ZINC000585099963 559024547 /nfs/dbraw/zinc/02/45/47/559024547.db2.gz BJGIWFGGJXOPCC-VWLOTQADSA-N 1 1 402.542 4.190 40 0 HIABMO Cc1ccc(CC(=O)N2CCC3(C[N@@H+](Cc4ccccc4)C[C@]34CCOC4)CC2)cc1 ZINC000585113430 559031234 /nfs/dbraw/zinc/03/12/34/559031234.db2.gz GCGDLXXIJQJBNH-MHZLTWQESA-N 1 1 418.581 4.069 40 0 HIABMO O=S1(=O)c2ccccc2[C@]2(CC[N@@H+](Cc3ccccc3)C2)N1Cc1ccc(F)cc1 ZINC000096261954 559106240 /nfs/dbraw/zinc/10/62/40/559106240.db2.gz IGDDEWAEVXYVHD-XMMPIXPASA-N 1 1 422.525 4.131 40 0 HIABMO O[C@@]1(COc2ccc(F)c(F)c2)COCC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585282631 559120174 /nfs/dbraw/zinc/12/01/74/559120174.db2.gz LVYOJHIVUAEVFS-YOSAUDMPSA-N 1 1 417.496 4.133 40 0 HIABMO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216391 559169594 /nfs/dbraw/zinc/16/95/94/559169594.db2.gz JCRYJRPXXPADMB-QFIPXVFZSA-N 1 1 422.573 4.476 40 0 HIABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@]1(C(=O)N(C)C)c1ccccn1 ZINC000257260145 559284719 /nfs/dbraw/zinc/28/47/19/559284719.db2.gz LBMDSXIEWQFLGI-AREMUKBSSA-N 1 1 415.537 4.337 40 0 HIABMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257258616 559284763 /nfs/dbraw/zinc/28/47/63/559284763.db2.gz KUTQQYSJGMARPP-QHCPKHFHSA-N 1 1 401.510 4.108 40 0 HIABMO CN(C)c1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@@H]2CCCO2)cc1 ZINC000000904284 560544854 /nfs/dbraw/zinc/54/48/54/560544854.db2.gz NOFFUKOBCHQZHV-KRWDZBQOSA-N 1 1 415.335 4.421 40 0 HIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000909167 560545872 /nfs/dbraw/zinc/54/58/72/560545872.db2.gz JJLHYZBWRISQRD-OAQYLSRUSA-N 1 1 422.577 4.242 40 0 HIABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000004847552 560609369 /nfs/dbraw/zinc/60/93/69/560609369.db2.gz BWQDRHPQQCPBFZ-OAQYLSRUSA-N 1 1 422.577 4.474 40 0 HIABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000004847552 560609370 /nfs/dbraw/zinc/60/93/70/560609370.db2.gz BWQDRHPQQCPBFZ-OAQYLSRUSA-N 1 1 422.577 4.474 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000005444254 560737677 /nfs/dbraw/zinc/73/76/77/560737677.db2.gz UXDRRDKIULXXGO-VFNWGFHPSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000005444254 560737678 /nfs/dbraw/zinc/73/76/78/560737678.db2.gz UXDRRDKIULXXGO-VFNWGFHPSA-N 1 1 422.577 4.098 40 0 HIABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000585269699 560741472 /nfs/dbraw/zinc/74/14/72/560741472.db2.gz IDCAOVQTFYRGAT-JOCHJYFZSA-N 1 1 410.558 4.166 40 0 HIABMO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccncc1 ZINC000006870197 560747666 /nfs/dbraw/zinc/74/76/66/560747666.db2.gz VYGYBGZXBQXIJP-UHFFFAOYSA-N 1 1 400.114 4.295 40 0 HIABMO C[C@@H](NC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000020241784 560883335 /nfs/dbraw/zinc/88/33/35/560883335.db2.gz AQQLZDLHKJXAFI-JOCHJYFZSA-N 1 1 413.565 4.495 40 0 HIABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057584827 568492867 /nfs/dbraw/zinc/49/28/67/568492867.db2.gz XYWZCSQXOSDXQV-QFIPXVFZSA-N 1 1 420.561 4.292 40 0 HIABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057584827 568492869 /nfs/dbraw/zinc/49/28/69/568492869.db2.gz XYWZCSQXOSDXQV-QFIPXVFZSA-N 1 1 420.561 4.292 40 0 HIABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1c2cc(C)cnc2[nH]c1C(C)C ZINC000057773804 568497267 /nfs/dbraw/zinc/49/72/67/568497267.db2.gz IAWCCBDOCIWOIM-SFHVURJKSA-N 1 1 411.546 4.265 40 0 HIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc2ccc(C)cc2nc1OC ZINC000022931848 568500810 /nfs/dbraw/zinc/50/08/10/568500810.db2.gz BMZOAGUNRSIFJS-HSZRJFAPSA-N 1 1 404.558 4.433 40 0 HIABMO O=C(NCCOc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223569395 568551954 /nfs/dbraw/zinc/55/19/54/568551954.db2.gz ULMCINQPSMPJOV-OAQYLSRUSA-N 1 1 406.501 4.386 40 0 HIABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000224186428 568572950 /nfs/dbraw/zinc/57/29/50/568572950.db2.gz GZYVPRBXZPFYST-UHFFFAOYSA-N 1 1 410.558 4.349 40 0 HIABMO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224573210 568585864 /nfs/dbraw/zinc/58/58/64/568585864.db2.gz MFCOGVNICJGJJL-NRFANRHFSA-N 1 1 418.990 4.359 40 0 HIABMO S=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1cccc(Br)c1 ZINC000225742353 568670399 /nfs/dbraw/zinc/67/03/99/568670399.db2.gz YBWFFHMLJJCFOJ-UHFFFAOYSA-N 1 1 404.377 4.184 40 0 HIABMO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225750404 568671209 /nfs/dbraw/zinc/67/12/09/568671209.db2.gz VJRJYDZOLANJAF-DEOSSOPVSA-N 1 1 420.594 4.492 40 0 HIABMO FC(F)(F)c1ccnc(Nc2nccc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000257201250 568776309 /nfs/dbraw/zinc/77/63/09/568776309.db2.gz AGWRALOILOVZJJ-OAHLLOKOSA-N 1 1 400.408 4.019 40 0 HIABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257207533 568778396 /nfs/dbraw/zinc/77/83/96/568778396.db2.gz BIEVNTAANJVVFP-KRWDZBQOSA-N 1 1 412.921 4.084 40 0 HIABMO Fc1cccc(-c2cncc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)c1 ZINC000257210370 568779178 /nfs/dbraw/zinc/77/91/78/568779178.db2.gz BUICJNCEVDDJFQ-DEOSSOPVSA-N 1 1 400.457 4.404 40 0 HIABMO Fc1cccc(-c2cncc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)c1 ZINC000257210370 568779179 /nfs/dbraw/zinc/77/91/79/568779179.db2.gz BUICJNCEVDDJFQ-DEOSSOPVSA-N 1 1 400.457 4.404 40 0 HIABMO C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000257222845 568782727 /nfs/dbraw/zinc/78/27/27/568782727.db2.gz DUWJRYCANXSYIO-SFHVURJKSA-N 1 1 420.582 4.068 40 0 HIABMO Cc1nc(C)c(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)s1 ZINC000257225168 568783475 /nfs/dbraw/zinc/78/34/75/568783475.db2.gz FFDBFNLDXLZNEN-HRZCLMFYSA-N 1 1 423.626 4.387 40 0 HIABMO CC(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n(C)n2)C1 ZINC000257227290 568784029 /nfs/dbraw/zinc/78/40/29/568784029.db2.gz FONLMMJELRWPGL-HXUWFJFHSA-N 1 1 411.468 4.090 40 0 HIABMO CC(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n(C)n2)C1 ZINC000257227290 568784031 /nfs/dbraw/zinc/78/40/31/568784031.db2.gz FONLMMJELRWPGL-HXUWFJFHSA-N 1 1 411.468 4.090 40 0 HIABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257234419 568785942 /nfs/dbraw/zinc/78/59/42/568785942.db2.gz GTKWGHQBOTVXMA-QFIPXVFZSA-N 1 1 420.601 4.383 40 0 HIABMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c1 ZINC000257277966 568797870 /nfs/dbraw/zinc/79/78/70/568797870.db2.gz OADZVYMFWFXSKT-ZCYQVOJMSA-N 1 1 408.542 4.082 40 0 HIABMO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c1 ZINC000257277966 568797871 /nfs/dbraw/zinc/79/78/71/568797871.db2.gz OADZVYMFWFXSKT-ZCYQVOJMSA-N 1 1 408.542 4.082 40 0 HIABMO CN(C)C(=O)c1sc2nccnc2c1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000257281105 568798665 /nfs/dbraw/zinc/79/86/65/568798665.db2.gz ONQFUJXGDOXAHM-UHFFFAOYSA-N 1 1 416.497 4.051 40 0 HIABMO COc1ncccc1C[N@H+]1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306126632 568889561 /nfs/dbraw/zinc/88/95/61/568889561.db2.gz FAQJUTZYFUFENU-IBGZPJMESA-N 1 1 417.488 4.319 40 0 HIABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)nn2c1 ZINC000306130274 568892776 /nfs/dbraw/zinc/89/27/76/568892776.db2.gz JAVCXFYJWLUHPO-SFHVURJKSA-N 1 1 417.488 4.319 40 0 HIABMO O=C(Nc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)Nc3ccccc3)CC[C@@H]2[N@H+]1CC1CC1 ZINC000306139406 568901345 /nfs/dbraw/zinc/90/13/45/568901345.db2.gz SWNIJFMKEYVFFV-VJBMBRPKSA-N 1 1 418.541 4.032 40 0 HIABMO O=C(c1cnc2c(F)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198958 569058915 /nfs/dbraw/zinc/05/89/15/569058915.db2.gz NMMRQOVLVLCJGO-HFTZPDGKSA-N 1 1 421.516 4.115 40 0 HIABMO O=C(c1cnc2c(F)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198959 569058942 /nfs/dbraw/zinc/05/89/42/569058942.db2.gz NMMRQOVLVLCJGO-XQLZULMXSA-N 1 1 421.516 4.115 40 0 HIABMO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000009062655 569342162 /nfs/dbraw/zinc/34/21/62/569342162.db2.gz BUZMHRZCBKJMKN-OALUTQOASA-N 1 1 406.014 4.036 40 0 HIABMO C[C@@H](C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000019456127 569345557 /nfs/dbraw/zinc/34/55/57/569345557.db2.gz CEINOHUHQWQGIA-PZJWPPBQSA-N 1 1 416.573 4.450 40 0 HIABMO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)CC2CCCCC2)n1 ZINC000019701017 569347236 /nfs/dbraw/zinc/34/72/36/569347236.db2.gz IIUXBJTVSOTFPS-NRFANRHFSA-N 1 1 421.589 4.047 40 0 HIABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019738681 569348571 /nfs/dbraw/zinc/34/85/71/569348571.db2.gz OKQSPKXTRDROSX-JOCHJYFZSA-N 1 1 422.541 4.435 40 0 HIABMO CC[C@H](C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C2CC2)[nH+]1 ZINC000329008503 571309459 /nfs/dbraw/zinc/30/94/59/571309459.db2.gz LRMACAOMGLRNRS-ZDUSSCGKSA-N 1 1 406.452 5.026 40 0 HIABMO CC1=C[C@@H](C[N@@H+](C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883440 291262172 /nfs/dbraw/zinc/26/21/72/291262172.db2.gz GTRKTYQMKVSSCI-BJLQDIEVSA-N 1 1 401.526 4.197 40 0 biogenic,in-vitro HIABMO O=c1ccc(-c2cc3ccccc3s2)c2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000004258715 291270674 /nfs/dbraw/zinc/27/06/74/291270674.db2.gz JDCKRFHJFYNZGJ-FUHWJXTLSA-N 1 1 406.551 4.328 40 0 biogenic,in-vitro HIABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000006241875 132309801 /nfs/dbraw/zinc/30/98/01/132309801.db2.gz PHZKEQBZHLYMEK-UHFFFAOYSA-N 1 1 408.329 4.153 40 0 HIABMO Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044932541 527385479 /nfs/dbraw/zinc/38/54/79/527385479.db2.gz FDKNEXMOKPTBAJ-LJQANCHMSA-N 1 1 402.542 4.343 40 0 HIABMO CCOC(=O)C1CC[NH+](c2ccc(NCc3cc4ccc(C)cc4[nH]c3=O)cc2)CC1 ZINC000012143584 535603927 /nfs/dbraw/zinc/60/39/27/535603927.db2.gz FRIGGZIAXXYNLZ-UHFFFAOYSA-N 1 1 419.525 4.228 40 0 HIABMO Nc1ncnc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743012 558263304 /nfs/dbraw/zinc/26/33/04/558263304.db2.gz GOILXKRMXSFIHB-CYBMUJFWSA-N 1 1 405.399 4.145 40 0 HIABMO COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCC[N@H+](C4CCCC4)C2)nc3C)cc1 ZINC000019744489 558264938 /nfs/dbraw/zinc/26/49/38/558264938.db2.gz GBGOMOLKFHERBX-IBGZPJMESA-N 1 1 420.557 4.005 40 0 HIABMO COc1ccc(C[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]2CCCO2)cc1OC ZINC000012116789 558328786 /nfs/dbraw/zinc/32/87/86/558328786.db2.gz NVDAFFYXVFSCKY-GOSISDBHSA-N 1 1 413.543 4.337 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]2CCCO2)c(OC)c1OC ZINC000012118230 558329573 /nfs/dbraw/zinc/32/95/73/558329573.db2.gz NWJBCWGXDAOGMP-NRFANRHFSA-N 1 1 422.525 4.442 40 0 HIABMO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039753778 558687268 /nfs/dbraw/zinc/68/72/68/558687268.db2.gz NLNUCNXHYMQXBH-JOCHJYFZSA-N 1 1 406.014 4.323 40 0 HIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039753778 558687269 /nfs/dbraw/zinc/68/72/69/558687269.db2.gz NLNUCNXHYMQXBH-JOCHJYFZSA-N 1 1 406.014 4.323 40 0 HIABMO S=C(Nc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035883142 558795606 /nfs/dbraw/zinc/79/56/06/558795606.db2.gz KLOZPBAJHPVGHH-ODULNIPZSA-N 1 1 411.571 4.007 40 0 HIABMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](NC(=O)C2CCC2)c2ccccn2)cc1 ZINC000036734714 558801228 /nfs/dbraw/zinc/80/12/28/558801228.db2.gz ASQMJPZVYKDROF-QPPBQGQZSA-N 1 1 407.558 4.492 40 0 HIABMO CC[N@H+]1CC[C@@H](CCc2ccc(NC(=O)c3cccc4c3C(=O)N(C)C4)cc2)[C@H](C)C1 ZINC000036734969 558801438 /nfs/dbraw/zinc/80/14/38/558801438.db2.gz HSFUCFDYZBHSEG-UYAOXDASSA-N 1 1 419.569 4.435 40 0 HIABMO Cc1ccc(CSCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038837241 558818161 /nfs/dbraw/zinc/81/81/61/558818161.db2.gz BJQUHVVGLCOPLU-NRFANRHFSA-N 1 1 400.563 4.396 40 0 HIABMO CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038854321 558819219 /nfs/dbraw/zinc/81/92/19/558819219.db2.gz BVNLHAIHWPPMRI-SFHVURJKSA-N 1 1 413.949 4.329 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(F)c1 ZINC000019081885 558839982 /nfs/dbraw/zinc/83/99/82/558839982.db2.gz XLJLBMJSIJCIHN-PGRDOPGGSA-N 1 1 413.537 4.345 40 0 HIABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019081930 558840038 /nfs/dbraw/zinc/84/00/38/558840038.db2.gz GLEYODWIWYUORN-DYESRHJHSA-N 1 1 401.501 4.475 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccccc2-n2cccn2)C[C@H]2CCCO2)cc1OC ZINC000057811231 558890981 /nfs/dbraw/zinc/89/09/81/558890981.db2.gz LJUSWBIIJGNZAM-OAQYLSRUSA-N 1 1 407.514 4.071 40 0 HIABMO CC(C)n1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c2ccc(F)cc21 ZINC000019454766 558891522 /nfs/dbraw/zinc/89/15/22/558891522.db2.gz CSAZVYSBWLYTLG-QRQCMCJISA-N 1 1 410.537 4.215 40 0 HIABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)no2)CC1 ZINC000019496766 558895755 /nfs/dbraw/zinc/89/57/55/558895755.db2.gz RVUXDTQWNKYWAK-HXUWFJFHSA-N 1 1 418.541 4.475 40 0 HIABMO CCCN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503066 558900398 /nfs/dbraw/zinc/90/03/98/558900398.db2.gz MYXSATJREONUKW-VWLOTQADSA-N 1 1 414.553 4.057 40 0 HIABMO CCCN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503279 558900500 /nfs/dbraw/zinc/90/05/00/558900500.db2.gz ZRQIYBFMLMDYEE-DEOSSOPVSA-N 1 1 414.553 4.057 40 0 HIABMO CCn1cc(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2ccc(F)cc21 ZINC000019524736 558906036 /nfs/dbraw/zinc/90/60/36/558906036.db2.gz PPXVVBXBNVWWFJ-SQJMNOBHSA-N 1 1 420.532 4.224 40 0 HIABMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1ccc(OCCO)cc1)CC2 ZINC000019550691 558915208 /nfs/dbraw/zinc/91/52/08/558915208.db2.gz NDDLWNJPGNWCAB-AREMUKBSSA-N 1 1 419.521 4.223 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)Nc4ccccc4OC)on3)C2)cc1 ZINC000019555183 558918188 /nfs/dbraw/zinc/91/81/88/558918188.db2.gz FAKFWUYJRUDOOT-GOSISDBHSA-N 1 1 421.497 4.324 40 0 HIABMO COc1ccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1Cn1nc(C)cc1C ZINC000019574389 558932072 /nfs/dbraw/zinc/93/20/72/558932072.db2.gz ILWJAZSKDDIKIE-XMMPIXPASA-N 1 1 420.557 4.133 40 0 HIABMO COc1ccc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1Cn1nc(C)cc1C ZINC000019574389 558932075 /nfs/dbraw/zinc/93/20/75/558932075.db2.gz ILWJAZSKDDIKIE-XMMPIXPASA-N 1 1 420.557 4.133 40 0 HIABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c(C)c1C ZINC000019577363 558933238 /nfs/dbraw/zinc/93/32/38/558933238.db2.gz MLPWOQZMYHRBSS-INIZCTEOSA-N 1 1 401.461 4.067 40 0 HIABMO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019579623 558935335 /nfs/dbraw/zinc/93/53/35/558935335.db2.gz RSAUUVUCMOBFRS-AREMUKBSSA-N 1 1 414.553 4.057 40 0 HIABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000072337780 558937953 /nfs/dbraw/zinc/93/79/53/558937953.db2.gz URKBOLXWLCKLDB-XLIONFOSSA-N 1 1 410.518 4.061 40 0 HIABMO O=c1[nH]cc(-c2ccc(Cl)cc2)cc1C[N@H+](Cc1cccnc1)C[C@H]1CCCO1 ZINC000072341730 558940034 /nfs/dbraw/zinc/94/00/34/558940034.db2.gz COYPGYCTXODFFN-JOCHJYFZSA-N 1 1 409.917 4.272 40 0 HIABMO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCC3)C2)n1 ZINC000072348872 558945450 /nfs/dbraw/zinc/94/54/50/558945450.db2.gz IINRZIOSUNRVHM-LJQANCHMSA-N 1 1 407.558 4.386 40 0 HIABMO O=C(CCc1ccc(F)cc1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355236 558952652 /nfs/dbraw/zinc/95/26/52/558952652.db2.gz CQSYNEQLUDBZBW-NRFANRHFSA-N 1 1 409.549 4.099 40 0 HIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3)c2)n1 ZINC000072372516 558959916 /nfs/dbraw/zinc/95/99/16/558959916.db2.gz LHHMJBBFVMQICA-NRFANRHFSA-N 1 1 423.542 4.066 40 0 HIABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)CCOc2ccccc2C)[nH+]1 ZINC000072372665 558960400 /nfs/dbraw/zinc/96/04/00/558960400.db2.gz NTULQSGTDCDVFA-NRFANRHFSA-N 1 1 417.513 4.365 40 0 HIABMO CN(C(=O)C[N@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1)C1CCCCC1 ZINC000072375952 558965005 /nfs/dbraw/zinc/96/50/05/558965005.db2.gz VJIOAUNGGXGSAQ-LJQANCHMSA-N 1 1 407.562 4.191 40 0 HIABMO CN(C(=O)C[N@H+]1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1)C1CCCCC1 ZINC000072375951 558965013 /nfs/dbraw/zinc/96/50/13/558965013.db2.gz VJIOAUNGGXGSAQ-IBGZPJMESA-N 1 1 407.562 4.191 40 0 HIABMO Cc1cc(N2CCO[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)nc(C)[nH+]1 ZINC000019697664 558965331 /nfs/dbraw/zinc/96/53/31/558965331.db2.gz NZHKVZWESXFCFS-KRWDZBQOSA-N 1 1 410.543 4.024 40 0 HIABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1C ZINC000072376623 558965852 /nfs/dbraw/zinc/96/58/52/558965852.db2.gz AOUVHOUOAYBQNM-JOCHJYFZSA-N 1 1 420.561 4.080 40 0 HIABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 ZINC000072376671 558966105 /nfs/dbraw/zinc/96/61/05/558966105.db2.gz UUNSMEWXYNJUNT-IBGZPJMESA-N 1 1 402.546 4.026 40 0 HIABMO COc1ccccc1C(=O)N1CC[NH+](Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393714 558973057 /nfs/dbraw/zinc/97/30/57/558973057.db2.gz PIHKPCZBWCICBJ-UHFFFAOYSA-N 1 1 418.541 4.187 40 0 HIABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1C ZINC000019715483 558976461 /nfs/dbraw/zinc/97/64/61/558976461.db2.gz AHIHYXVJTHVSKY-LJQANCHMSA-N 1 1 422.577 4.269 40 0 HIABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1C ZINC000019715483 558976464 /nfs/dbraw/zinc/97/64/64/558976464.db2.gz AHIHYXVJTHVSKY-LJQANCHMSA-N 1 1 422.577 4.269 40 0 HIABMO Cc1[nH+]ccn1[C@H](C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C)c1ccccc1 ZINC000019718834 558982308 /nfs/dbraw/zinc/98/23/08/558982308.db2.gz JCZILRVSOYASEX-SFHVURJKSA-N 1 1 413.403 4.325 40 0 HIABMO Cc1[nH+]ccn1[C@@H](C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C)c1ccccc1 ZINC000019718833 558982322 /nfs/dbraw/zinc/98/23/22/558982322.db2.gz JCZILRVSOYASEX-GOSISDBHSA-N 1 1 413.403 4.325 40 0 HIABMO Cc1nc(CN2C(=O)CC[C@]23CCC[N@@H+](Cc2cc(F)ccc2F)CC3)cs1 ZINC000585100066 559023739 /nfs/dbraw/zinc/02/37/39/559023739.db2.gz DTYOAQCGYGXTDT-NRFANRHFSA-N 1 1 405.514 4.277 40 0 HIABMO COc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000585165364 559066387 /nfs/dbraw/zinc/06/63/87/559066387.db2.gz IFXMMDTXWUIWGZ-NRFANRHFSA-N 1 1 418.541 4.070 40 0 HIABMO O=S(=O)(c1ccccc1)N1CCC2(C[NH+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096202415 559101247 /nfs/dbraw/zinc/10/12/47/559101247.db2.gz OTQIKAWNGYVRQY-UHFFFAOYSA-N 1 1 418.562 4.250 40 0 HIABMO COC(=O)c1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc1 ZINC000072360799 559185889 /nfs/dbraw/zinc/18/58/89/559185889.db2.gz PEJAJCVSHXNNGR-JOCHJYFZSA-N 1 1 419.525 4.260 40 0 HIABMO C[N@H+]1CCC[C@@H](CNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257216948 559282716 /nfs/dbraw/zinc/28/27/16/559282716.db2.gz CWUPIGSVGLWUMX-NRFANRHFSA-N 1 1 424.560 4.290 40 0 HIABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@]1(C(=O)N(C)C)c1ccccn1 ZINC000257260146 559284723 /nfs/dbraw/zinc/28/47/23/559284723.db2.gz LBMDSXIEWQFLGI-SANMLTNESA-N 1 1 415.537 4.337 40 0 HIABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)c(C)c1 ZINC000257278817 559285152 /nfs/dbraw/zinc/28/51/52/559285152.db2.gz ODTYTOSCYMLFIT-QHCPKHFHSA-N 1 1 406.526 4.149 40 0 HIABMO C[C@@]1(O)CC[N@H+](Cc2cccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514288864 560033752 /nfs/dbraw/zinc/03/37/52/560033752.db2.gz COXBNTLYVVWFDT-IRFCIJBXSA-N 1 1 404.601 4.183 40 0 biogenic,in-vitro HIABMO C[C@@]1(O)CC[N@@H+](Cc2cccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514288864 560033753 /nfs/dbraw/zinc/03/37/53/560033753.db2.gz COXBNTLYVVWFDT-IRFCIJBXSA-N 1 1 404.601 4.183 40 0 biogenic,in-vitro HIABMO CC1=C[C@@H](C[NH2+][C@H]2CC[C@H](CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000247831616 560036746 /nfs/dbraw/zinc/03/67/46/560036746.db2.gz LRXHHWFZZNOXNK-YFNVTMOMSA-N 1 1 410.606 4.496 40 0 biogenic,in-vitro HIABMO CC1=C[C@@H](C[NH2+][C@H]2CC[C@H](CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000247831616 560036749 /nfs/dbraw/zinc/03/67/49/560036749.db2.gz LRXHHWFZZNOXNK-YFNVTMOMSA-N 1 1 410.606 4.496 40 0 biogenic,in-vitro HIABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2c1C ZINC000000889560 560542117 /nfs/dbraw/zinc/54/21/17/560542117.db2.gz HYBSHZYOBLRUCW-JOCHJYFZSA-N 1 1 420.561 4.212 40 0 HIABMO CN(C)c1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@H]2CCCO2)cc1 ZINC000000904281 560544839 /nfs/dbraw/zinc/54/48/39/560544839.db2.gz NOFFUKOBCHQZHV-QGZVFWFLSA-N 1 1 415.335 4.421 40 0 HIABMO COc1cc(-c2[nH+]c3ccc(Br)cn3c2NC[C@H]2CCCO2)ccc1O ZINC000000904273 560544989 /nfs/dbraw/zinc/54/49/89/560544989.db2.gz JQXYMMZCAVFAOH-CQSZACIVSA-N 1 1 418.291 4.069 40 0 HIABMO Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000408825421 560645689 /nfs/dbraw/zinc/64/56/89/560645689.db2.gz AJZXFVBPZQKDEP-UHFFFAOYSA-N 1 1 413.565 4.243 40 0 HIABMO C=C1[NH+]=C(SCCCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990500 560662155 /nfs/dbraw/zinc/66/21/55/560662155.db2.gz NJCRUWCSPAXHFZ-SFHVURJKSA-N 1 1 422.547 4.083 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000005444255 560737684 /nfs/dbraw/zinc/73/76/84/560737684.db2.gz NKUXDUBDWYAXQF-VFNWGFHPSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000005444255 560737685 /nfs/dbraw/zinc/73/76/85/560737685.db2.gz NKUXDUBDWYAXQF-VFNWGFHPSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000005444257 560737687 /nfs/dbraw/zinc/73/76/87/560737687.db2.gz FOBAONIGDSKFQU-VFNWGFHPSA-N 1 1 422.577 4.098 40 0 HIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000005444257 560737688 /nfs/dbraw/zinc/73/76/88/560737688.db2.gz FOBAONIGDSKFQU-VFNWGFHPSA-N 1 1 422.577 4.098 40 0 HIABMO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)c1 ZINC000007540569 560751557 /nfs/dbraw/zinc/75/15/57/560751557.db2.gz RSLKXUVWVJAVJH-UHFFFAOYSA-N 1 1 413.857 4.463 40 0 HIABMO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019866662 560876531 /nfs/dbraw/zinc/87/65/31/560876531.db2.gz BCDSJSNRGSAIHS-UHFFFAOYSA-N 1 1 424.463 4.049 40 0 HIABMO CC(C)(C)OC(=O)N1CCC(=O)[C@H]2[C@H](C1)[N@@H+](Cc1ccccc1)C[C@@H]2c1ccccc1 ZINC000219773927 568498498 /nfs/dbraw/zinc/49/84/98/568498498.db2.gz XWUGYUJYBGMVFQ-AOHZBQACSA-N 1 1 420.553 4.481 40 0 HIABMO Cc1ccc(C)c(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000224040257 568567398 /nfs/dbraw/zinc/56/73/98/568567398.db2.gz UGBCFPFRSXMMEN-HXUWFJFHSA-N 1 1 400.950 4.364 40 0 HIABMO Cc1ccc(C)c(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000224040306 568567419 /nfs/dbraw/zinc/56/74/19/568567419.db2.gz UGBCFPFRSXMMEN-FQEVSTJZSA-N 1 1 400.950 4.364 40 0 HIABMO O=C(NCCOc1ccccc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224542251 568584382 /nfs/dbraw/zinc/58/43/82/568584382.db2.gz MBRGTKBMVHDNLP-UHFFFAOYSA-N 1 1 407.341 4.401 40 0 HIABMO CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)s1 ZINC000224615912 568588189 /nfs/dbraw/zinc/58/81/89/568588189.db2.gz QNFLMAVSUJBVKU-UHFFFAOYSA-N 1 1 417.387 4.418 40 0 HIABMO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224751779 568595105 /nfs/dbraw/zinc/59/51/05/568595105.db2.gz QVFQVBOPZAYZSC-XMMPIXPASA-N 1 1 424.585 4.290 40 0 HIABMO CCOc1ccc(-c2cnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000224860874 568600911 /nfs/dbraw/zinc/60/09/11/568600911.db2.gz RSEZAUJZAUSXOF-UHFFFAOYSA-N 1 1 419.525 4.017 40 0 HIABMO Cn1c(=O)sc2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000225064858 568611992 /nfs/dbraw/zinc/61/19/92/568611992.db2.gz BVPVXVGMCBREIN-HNNXBMFYSA-N 1 1 415.946 4.104 40 0 HIABMO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225664079 568661641 /nfs/dbraw/zinc/66/16/41/568661641.db2.gz BIYGRPLNYPGHIR-RDPSFJRHSA-N 1 1 418.578 4.102 40 0 HIABMO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225703766 568666070 /nfs/dbraw/zinc/66/60/70/568666070.db2.gz RYYOKNUBJIHWLS-HSZRJFAPSA-N 1 1 406.567 4.102 40 0 HIABMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000260767258 568738246 /nfs/dbraw/zinc/73/82/46/568738246.db2.gz MMAMOSUIQYKCSS-AEFFLSMTSA-N 1 1 416.949 4.447 40 0 HIABMO Cc1cccnc1Nc1cccc(C2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000257224995 568783316 /nfs/dbraw/zinc/78/33/16/568783316.db2.gz FEKCBSSSDXGHDE-IBGZPJMESA-N 1 1 407.562 4.109 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257249950 568790310 /nfs/dbraw/zinc/79/03/10/568790310.db2.gz JKJOJBCUBJMFOQ-HSZRJFAPSA-N 1 1 420.601 4.336 40 0 HIABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](C3CCOCC3)[C@H]1CCCCC(=O)N2 ZINC000257255929 568791854 /nfs/dbraw/zinc/79/18/54/568791854.db2.gz KJLIGNSRLCKUSK-ZJOUEHCJSA-N 1 1 410.480 4.449 40 0 HIABMO CNC(=O)[C@]1(c2cccc(C)n2)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1OC ZINC000257264557 568794037 /nfs/dbraw/zinc/79/40/37/568794037.db2.gz LUZYUSYPVXKIPM-AREMUKBSSA-N 1 1 415.537 4.303 40 0 HIABMO CNC(=O)[C@]1(c2cccc(C)n2)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1OC ZINC000257264557 568794039 /nfs/dbraw/zinc/79/40/39/568794039.db2.gz LUZYUSYPVXKIPM-AREMUKBSSA-N 1 1 415.537 4.303 40 0 HIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257267544 568794947 /nfs/dbraw/zinc/79/49/47/568794947.db2.gz MHSJAUXIDAGDGV-QFIPXVFZSA-N 1 1 406.574 4.028 40 0 HIABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257269940 568795533 /nfs/dbraw/zinc/79/55/33/568795533.db2.gz MSBHCTSKBCKTOJ-GOSISDBHSA-N 1 1 418.545 4.021 40 0 HIABMO CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)[nH]n1 ZINC000257308325 568806959 /nfs/dbraw/zinc/80/69/59/568806959.db2.gz TWHYTNRLHZOIHQ-TYUWDEHNSA-N 1 1 420.601 4.451 40 0 HIABMO CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)n[nH]1 ZINC000257308325 568806960 /nfs/dbraw/zinc/80/69/60/568806960.db2.gz TWHYTNRLHZOIHQ-TYUWDEHNSA-N 1 1 420.601 4.451 40 0 HIABMO CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)n[nH]1 ZINC000257308325 568806963 /nfs/dbraw/zinc/80/69/63/568806963.db2.gz TWHYTNRLHZOIHQ-TYUWDEHNSA-N 1 1 420.601 4.451 40 0 HIABMO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(COC(C)(C)C4)CC3)n2)cc1 ZINC000257319761 568810330 /nfs/dbraw/zinc/81/03/30/568810330.db2.gz VTYQOGYDYBNITM-UHFFFAOYSA-N 1 1 415.559 4.038 40 0 HIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5nccs5)C4)nn3c2)c1 ZINC000306127755 568890653 /nfs/dbraw/zinc/89/06/53/568890653.db2.gz GGIUMVSEHQHGRN-SFHVURJKSA-N 1 1 405.527 4.241 40 0 HIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5nccs5)C4)nn3c2)c1 ZINC000306127755 568890654 /nfs/dbraw/zinc/89/06/54/568890654.db2.gz GGIUMVSEHQHGRN-SFHVURJKSA-N 1 1 405.527 4.241 40 0 HIABMO CN1CC[N@H+](Cc2ccccc2F)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306132687 568894719 /nfs/dbraw/zinc/89/47/19/568894719.db2.gz LPGQQBOAKXLDHW-QHCPKHFHSA-N 1 1 401.489 4.024 40 0 HIABMO CN1CC[N@@H+](Cc2ccccc2F)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306132687 568894720 /nfs/dbraw/zinc/89/47/20/568894720.db2.gz LPGQQBOAKXLDHW-QHCPKHFHSA-N 1 1 401.489 4.024 40 0 HIABMO Cc1ccsc1C[N@@H+]1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306144787 568906212 /nfs/dbraw/zinc/90/62/12/568906212.db2.gz ZOKVUXPNVHPKFQ-XXBNENTESA-N 1 1 412.603 4.062 40 0 HIABMO Cc1sc(-n2cccc2)nc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198666 569058976 /nfs/dbraw/zinc/05/89/76/569058976.db2.gz FRKDBYDVVFSDHF-CUXKYVRBSA-N 1 1 422.598 4.277 40 0 HIABMO O=C(c1cnc2c(F)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198957 569058998 /nfs/dbraw/zinc/05/89/98/569058998.db2.gz NMMRQOVLVLCJGO-FOHILQBSSA-N 1 1 421.516 4.115 40 0 HIABMO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000009062625 569342155 /nfs/dbraw/zinc/34/21/55/569342155.db2.gz NLPHLKRYGNMNDE-OALUTQOASA-N 1 1 406.014 4.036 40 0 HIABMO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000009062681 569342213 /nfs/dbraw/zinc/34/22/13/569342213.db2.gz VSVDEHCWNNGKBR-RTBURBONSA-N 1 1 406.014 4.036 40 0 HIABMO CC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2c(C)n(C)c3cc(C)ccc32)C1 ZINC000012088838 569344526 /nfs/dbraw/zinc/34/45/26/569344526.db2.gz QBZGFEZFIAQUHO-PGRDOPGGSA-N 1 1 410.587 4.341 40 0 HIABMO Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)n1 ZINC000019236210 569345353 /nfs/dbraw/zinc/34/53/53/569345353.db2.gz KMNUVGFFIYVUJY-PGRDOPGGSA-N 1 1 406.555 4.230 40 0 HIABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000019348969 569345384 /nfs/dbraw/zinc/34/53/84/569345384.db2.gz DBAKZBZRXBMCFF-YLJYHZDGSA-N 1 1 410.518 4.061 40 0 HIABMO O=C(c1sc2ncccc2c1[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCOCC1 ZINC000019702285 569347440 /nfs/dbraw/zinc/34/74/40/569347440.db2.gz UQWQIYRLMQSTPT-GOSISDBHSA-N 1 1 413.587 4.138 40 0 HIABMO CCc1ncc(C[N@H+]2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccccc2C)cn1 ZINC000019713398 569348406 /nfs/dbraw/zinc/34/84/06/569348406.db2.gz KGDNJAQKHCTWBP-RCZVLFRGSA-N 1 1 406.574 4.283 40 0 HIABMO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038855532 569351831 /nfs/dbraw/zinc/35/18/31/569351831.db2.gz ZSCCURZRPZVYGS-MJGOQNOKSA-N 1 1 411.521 4.205 40 0 HIABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)C2 ZINC000329038617 571305184 /nfs/dbraw/zinc/30/51/84/571305184.db2.gz RTGHUJNEPLBCBL-UHFFFAOYSA-N 1 1 414.553 4.756 40 0 HIABMO