smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1 ZINC000015673289 291263802 /nfs/dbraw/zinc/26/38/02/291263802.db2.gz RABHZWFIJNAQRQ-SFTDATJTSA-N 1 0 421.516 4.298 40 0 biogenic,in-vitro HIABRO Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)[NH2+][C@H](C(=O)NCC2CC2)C3)no1 ZINC000049171896 291267849 /nfs/dbraw/zinc/26/78/49/291267849.db2.gz IOQQKGVMSLBUAO-VXKWHMMOSA-N 1 0 420.557 4.114 40 0 biogenic,in-vitro HIABRO FC(F)(F)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2c[nH]c3ccccc23)COC1 ZINC000096112692 291269022 /nfs/dbraw/zinc/26/90/22/291269022.db2.gz DOVXAZHRQOZSHY-HNNXBMFYSA-N 1 0 400.404 4.398 40 0 biogenic,in-vitro HIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2cccc(Nc3nc(C)cc(C)n3)n2)CC1 ZINC000072375878 521546089 /nfs/dbraw/zinc/54/60/89/521546089.db2.gz AVUFGQLDFIIBGX-NRFANRHFSA-N 1 0 422.577 4.018 40 0 HIABRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c(OC)c1OC ZINC000044882873 524066354 /nfs/dbraw/zinc/06/63/54/524066354.db2.gz FJXZEIGCAKEFEJ-UHFFFAOYSA-N 1 0 412.530 4.018 40 0 HIABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044855658 525553389 /nfs/dbraw/zinc/55/33/89/525553389.db2.gz DNBSQTFQQKYCPS-JOCHJYFZSA-N 1 0 408.542 4.326 40 0 HIABRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462780 525918058 /nfs/dbraw/zinc/91/80/58/525918058.db2.gz PCGOSXFPOYMUCR-MRXNPFEDSA-N 1 0 417.347 4.129 40 0 HIABRO COc1ccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1OC ZINC000408613578 557534252 /nfs/dbraw/zinc/53/42/52/557534252.db2.gz YHTHNDSNZQXKPY-UHFFFAOYSA-N 1 0 408.542 4.222 40 0 HIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000006517680 557706387 /nfs/dbraw/zinc/70/63/87/557706387.db2.gz JKPHBFBACGSTKM-UHFFFAOYSA-N 1 0 418.566 4.109 40 0 HIABRO COC1(C[S@@](=O)c2ccccc2)CC[NH+](CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000007999073 557769354 /nfs/dbraw/zinc/76/93/54/557769354.db2.gz BANYJBHWTOJQDU-LJAQVGFWSA-N 1 0 414.546 4.138 40 0 in-vitro HIABRO C[C@@H]1CCCC[N@@H+]1[C@H](C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000036748646 557852188 /nfs/dbraw/zinc/85/21/88/557852188.db2.gz WOSNLWWKJPNUKB-LEOXJPRUSA-N 1 0 420.532 4.381 40 0 HIABRO Cc1nc([C@@H]2CC[N@H+](Cc3cccnc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753152 558272224 /nfs/dbraw/zinc/27/22/24/558272224.db2.gz SYHOZNMPBNNDEE-QGZVFWFLSA-N 1 0 407.905 4.075 40 0 HIABRO C[C@H](O)C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)Cc1ccc2c(c1)OCO2 ZINC000012118148 558329553 /nfs/dbraw/zinc/32/95/53/558329553.db2.gz FJIJVYRYWBKNMS-SFHVURJKSA-N 1 0 415.493 4.137 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]2CCCO2)c(OC)c1OC ZINC000012118231 558329605 /nfs/dbraw/zinc/32/96/05/558329605.db2.gz NWJBCWGXDAOGMP-OAQYLSRUSA-N 1 0 422.525 4.442 40 0 HIABRO Cc1cnccc1C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000012144164 558335851 /nfs/dbraw/zinc/33/58/51/558335851.db2.gz OWBNLLYCWDXTJB-QUCCMNQESA-N 1 0 403.448 4.145 40 0 HIABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000012157759 558340691 /nfs/dbraw/zinc/34/06/91/558340691.db2.gz URKBOLXWLCKLDB-YLJYHZDGSA-N 1 0 410.518 4.061 40 0 HIABRO O[C@H](C[NH+]1CCC2(C=Cc3cc(Cl)ccc3O2)CC1)c1ccc2c(c1)OCCO2 ZINC000012188046 558347050 /nfs/dbraw/zinc/34/70/50/558347050.db2.gz PXCIMKMDLILIMZ-LJQANCHMSA-N 1 0 413.901 4.085 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000012222146 558356159 /nfs/dbraw/zinc/35/61/59/558356159.db2.gz KPLVDPJQIYQJBD-DEOSSOPVSA-N 1 0 423.488 4.264 40 0 HIABRO COc1ccccc1[C@H](CNc1c(C)c(C)nc2cc(-c3cc(C)on3)nn21)[NH+](C)C ZINC000012251568 558362219 /nfs/dbraw/zinc/36/22/19/558362219.db2.gz ZGDPJRWJKHKXAH-FQEVSTJZSA-N 1 0 420.517 4.033 40 0 HIABRO Cc1[nH]c2cc(C)ccc2c1[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000012293246 558366197 /nfs/dbraw/zinc/36/61/97/558366197.db2.gz JYXFBJJVDMRQTM-YADHBBJMSA-N 1 0 406.526 4.169 40 0 HIABRO CCn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c2ccccc21 ZINC000012293265 558366229 /nfs/dbraw/zinc/36/62/29/558366229.db2.gz VNPLEWQRMDTNRK-GOTSBHOMSA-N 1 0 406.526 4.045 40 0 HIABRO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020456344 558370033 /nfs/dbraw/zinc/37/00/33/558370033.db2.gz QVZOHYHVJDUFOT-LJQANCHMSA-N 1 0 402.542 4.343 40 0 HIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)C1 ZINC000020492798 558378685 /nfs/dbraw/zinc/37/86/85/558378685.db2.gz SUCALXGJYSUDKI-OYRHEFFESA-N 1 0 405.586 4.347 40 0 HIABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329772 558384609 /nfs/dbraw/zinc/38/46/09/558384609.db2.gz URYTUVIRUUIYCD-RTWAWAEBSA-N 1 0 401.934 4.341 40 0 HIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cnn(Cc3ccccc3)c2C)CC1 ZINC000012344223 558386336 /nfs/dbraw/zinc/38/63/36/558386336.db2.gz UQWDLSRYVFIDCD-UHFFFAOYSA-N 1 0 420.532 4.006 40 0 HIABRO CCCOc1c(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cccc1OC ZINC000012344819 558386585 /nfs/dbraw/zinc/38/65/85/558386585.db2.gz XHIKKWONOFHYJM-UHFFFAOYSA-N 1 0 414.521 4.251 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000039766589 558686081 /nfs/dbraw/zinc/68/60/81/558686081.db2.gz BGJVIMSZYGOXQP-UHFFFAOYSA-N 1 0 411.977 4.209 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000039768284 558686367 /nfs/dbraw/zinc/68/63/67/558686367.db2.gz FKBVUCKFFPQLCP-YRNVUSSQSA-N 1 0 417.597 4.065 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)c1 ZINC000039748418 558686835 /nfs/dbraw/zinc/68/68/35/558686835.db2.gz LDGWSCUWSSEWFN-UHFFFAOYSA-N 1 0 407.558 4.232 40 0 HIABRO CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039752501 558687000 /nfs/dbraw/zinc/68/70/00/558687000.db2.gz WGCQBDUOBUBWGS-UHFFFAOYSA-N 1 0 411.521 4.205 40 0 HIABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039755714 558687610 /nfs/dbraw/zinc/68/76/10/558687610.db2.gz NNOJHIQQGLLXOI-KRWDZBQOSA-N 1 0 411.521 4.205 40 0 HIABRO O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019014826 558836979 /nfs/dbraw/zinc/83/69/79/558836979.db2.gz RKILYBBUVGMIPN-AVRDEDQJSA-N 1 0 424.589 4.140 40 0 HIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cc3ccccc3nc2N(C)C)CC1 ZINC000019021081 558837940 /nfs/dbraw/zinc/83/79/40/558837940.db2.gz JLWLNQLNZKPKSZ-UHFFFAOYSA-N 1 0 420.532 4.067 40 0 HIABRO Cc1cc2c(cc1Br)C(=O)[C@](C[NH+]1CCCCC1)(N1CCCCC1)CO2 ZINC000019203051 558847596 /nfs/dbraw/zinc/84/75/96/558847596.db2.gz SGMPGRJBBAJIDM-OAQYLSRUSA-N 1 0 421.379 4.043 40 0 HIABRO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000019219865 558851423 /nfs/dbraw/zinc/85/14/23/558851423.db2.gz HQTGLNRTQOSLBI-KRWDZBQOSA-N 1 0 401.432 4.388 40 0 HIABRO Cc1cccc(C[NH+]2CCC([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)n1 ZINC000019236169 558855276 /nfs/dbraw/zinc/85/52/76/558855276.db2.gz XBLUXQLGPGVFNQ-AREMUKBSSA-N 1 0 414.553 4.097 40 0 HIABRO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000019334038 558869150 /nfs/dbraw/zinc/86/91/50/558869150.db2.gz HKAKAVPTLBPWFO-GOSISDBHSA-N 1 0 410.905 4.033 40 0 HIABRO O=C(c1cccnc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019337822 558870655 /nfs/dbraw/zinc/87/06/55/558870655.db2.gz ADCCVNXTBVKDEZ-DNVJHFABSA-N 1 0 421.541 4.413 40 0 HIABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000019347728 558873962 /nfs/dbraw/zinc/87/39/62/558873962.db2.gz FOEGSRBYSZIPGM-MQSCRBSSSA-N 1 0 421.541 4.413 40 0 HIABRO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000019348755 558874579 /nfs/dbraw/zinc/87/45/79/558874579.db2.gz CLYWGEXLJVYZOP-XZQOPNAISA-N 1 0 415.537 4.175 40 0 HIABRO CC(C)Oc1cccc(C[NH+]2CCC([C@H](NC(=O)C3CC3)c3ccccn3)CC2)c1 ZINC000019450836 558889103 /nfs/dbraw/zinc/88/91/03/558889103.db2.gz QEKILXDRIWUEPT-DEOSSOPVSA-N 1 0 407.558 4.348 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503061 558900357 /nfs/dbraw/zinc/90/03/57/558900357.db2.gz BPLPOQFEHLEACS-VWLOTQADSA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503350 558900563 /nfs/dbraw/zinc/90/05/63/558900563.db2.gz BZBSJFQUYIISBF-XMMPIXPASA-N 1 0 414.553 4.057 40 0 HIABRO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](Cc4ccc(OC)cc4)C3)cc2n1 ZINC000019522426 558903743 /nfs/dbraw/zinc/90/37/43/558903743.db2.gz ZSHOCIIYCPIRMS-HNNXBMFYSA-N 1 0 404.436 4.309 40 0 HIABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019529171 558910870 /nfs/dbraw/zinc/91/08/70/558910870.db2.gz PZXNIIACPUKVFV-DEOSSOPVSA-N 1 0 405.567 4.381 40 0 HIABRO COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000019557718 558919607 /nfs/dbraw/zinc/91/96/07/558919607.db2.gz XAJKOBGTGGVKGG-WXFUMESZSA-N 1 0 408.517 4.061 40 0 HIABRO COc1ccc(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1OC ZINC000019560732 558921726 /nfs/dbraw/zinc/92/17/26/558921726.db2.gz IFMNAPNRTGARKN-XZOQPEGZSA-N 1 0 422.500 4.423 40 0 HIABRO COc1ccccc1-c1ccc(C[C@]2(C(N)=O)CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000019571653 558930127 /nfs/dbraw/zinc/93/01/27/558930127.db2.gz HMVYHJKXZWGBSQ-HHHXNRCGSA-N 1 0 414.549 4.325 40 0 HIABRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C(C)C)cc3)c(Cl)cc2N)CC1 ZINC000072229160 558931731 /nfs/dbraw/zinc/93/17/31/558931731.db2.gz FTKOLVPYHLGJPD-UHFFFAOYSA-N 1 0 400.954 4.440 40 0 HIABRO Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCC(C)CC3)o2)n1 ZINC000019574473 558932126 /nfs/dbraw/zinc/93/21/26/558932126.db2.gz CPUPUNAGYLLKAC-HSZRJFAPSA-N 1 0 420.557 4.344 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019579594 558935114 /nfs/dbraw/zinc/93/51/14/558935114.db2.gz XXSVRNJKODEGET-AREMUKBSSA-N 1 0 414.553 4.057 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000019580350 558936101 /nfs/dbraw/zinc/93/61/01/558936101.db2.gz SUTFSIPGUQCCQL-AREMUKBSSA-N 1 0 417.528 4.411 40 0 HIABRO Cc1noc(C)c1Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC000019581073 558936591 /nfs/dbraw/zinc/93/65/91/558936591.db2.gz RFRJLEBYPAODBG-GOSISDBHSA-N 1 0 401.576 4.424 40 0 HIABRO Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CC[NH+](Cc4cnn(C)c4)CC3)c12 ZINC000072336040 558937139 /nfs/dbraw/zinc/93/71/39/558937139.db2.gz NFLSUDZFMRKGDC-UHFFFAOYSA-N 1 0 422.577 4.330 40 0 HIABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccc2F)C1 ZINC000019591305 558941708 /nfs/dbraw/zinc/94/17/08/558941708.db2.gz UFIUYUOBIPGWLD-SANMLTNESA-N 1 0 417.528 4.459 40 0 HIABRO COC(=O)c1ccc(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019592536 558943500 /nfs/dbraw/zinc/94/35/00/558943500.db2.gz ZGYQTDBLJNDQHI-BJKOFHAPSA-N 1 0 420.484 4.192 40 0 HIABRO Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)n1 ZINC000061368122 558945128 /nfs/dbraw/zinc/94/51/28/558945128.db2.gz UWENGLHZBXIWQW-UHFFFAOYSA-N 1 0 416.569 4.464 40 0 HIABRO Cc1cccc(C2(C(=O)NCCNc3cc(C)[nH+]c4ccccc34)CCOCC2)c1 ZINC000019654711 558947950 /nfs/dbraw/zinc/94/79/50/558947950.db2.gz UPOQDRAUMQOUQC-UHFFFAOYSA-N 1 0 403.526 4.128 40 0 HIABRO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000072352072 558948355 /nfs/dbraw/zinc/94/83/55/558948355.db2.gz RTNOKEGCGBWGSS-KRWDZBQOSA-N 1 0 420.554 4.039 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072352555 558948953 /nfs/dbraw/zinc/94/89/53/558948953.db2.gz UDKLTARYQNUDTC-INIZCTEOSA-N 1 0 402.523 4.194 40 0 HIABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000019687609 558957347 /nfs/dbraw/zinc/95/73/47/558957347.db2.gz GHBDAWVHPCGSST-OAQYLSRUSA-N 1 0 421.589 4.068 40 0 HIABRO Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000072371711 558958703 /nfs/dbraw/zinc/95/87/03/558958703.db2.gz NZLMFUGFKGKPFD-SFHVURJKSA-N 1 0 419.504 4.116 40 0 HIABRO COc1cc(C)ccc1C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000072371719 558958825 /nfs/dbraw/zinc/95/88/25/558958825.db2.gz UCTXCYZHHAPMFI-SFHVURJKSA-N 1 0 409.505 4.477 40 0 HIABRO Cc1cnc(NC(=O)C2(Cc3cccc([C@H]4CCC[N@@H+](C)C4)c3)CCOCC2)s1 ZINC000072372242 558959526 /nfs/dbraw/zinc/95/95/26/558959526.db2.gz IICZVUDGNVFSDL-FQEVSTJZSA-N 1 0 413.587 4.239 40 0 HIABRO COc1ccccc1Cc1cc(C)nc(C2CC[NH+](Cc3cnn(C)c3C)CC2)c1 ZINC000019691581 558960740 /nfs/dbraw/zinc/96/07/40/558960740.db2.gz DPNUKBFSPUYTHW-UHFFFAOYSA-N 1 0 404.558 4.411 40 0 HIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000019694253 558962563 /nfs/dbraw/zinc/96/25/63/558962563.db2.gz SKSZINHONIQRGI-LJQANCHMSA-N 1 0 424.980 4.459 40 0 HIABRO Cc1c(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cnn1C ZINC000019694322 558962755 /nfs/dbraw/zinc/96/27/55/558962755.db2.gz MIUOITCAQYNRTG-OAQYLSRUSA-N 1 0 408.525 4.118 40 0 HIABRO CCn1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)c2cc(OC)ccc21 ZINC000072392564 558972207 /nfs/dbraw/zinc/97/22/07/558972207.db2.gz XQSAUZRLBCUNOM-FKRCVWNDSA-N 1 0 405.542 4.103 40 0 HIABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393273 558972649 /nfs/dbraw/zinc/97/26/49/558972649.db2.gz XCPGWFDZGAVLEQ-LJQANCHMSA-N 1 0 415.541 4.224 40 0 HIABRO Cn1nccc1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000072393562 558972997 /nfs/dbraw/zinc/97/29/97/558972997.db2.gz SVGXTZBQRFNOOQ-UHFFFAOYSA-N 1 0 414.981 4.170 40 0 HIABRO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072395950 558974990 /nfs/dbraw/zinc/97/49/90/558974990.db2.gz IUVLBXXSUKXGPM-VWLOTQADSA-N 1 0 418.541 4.006 40 0 HIABRO O=C(Cc1ccccc1)N[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000585105623 559026654 /nfs/dbraw/zinc/02/66/54/559026654.db2.gz GNLAVACTLFNFQD-VWLOTQADSA-N 1 0 411.549 4.419 40 0 HIABRO COc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CC[C@@H]32)c1 ZINC000585108012 559029669 /nfs/dbraw/zinc/02/96/69/559029669.db2.gz VQXUBBLJQLLBSV-IITNATTFSA-N 1 0 410.945 4.185 40 0 HIABRO C[NH+](C)CCCCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000585169171 559067863 /nfs/dbraw/zinc/06/78/63/559067863.db2.gz ROWANRSQEONUIG-UHFFFAOYSA-N 1 0 412.549 4.290 40 0 HIABRO COc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CCN3C)cc1 ZINC000096036967 559090776 /nfs/dbraw/zinc/09/07/76/559090776.db2.gz IACDSNCGBGRUGP-UHFFFAOYSA-N 1 0 420.532 4.135 40 0 HIABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc2O3)o1 ZINC000096053095 559092892 /nfs/dbraw/zinc/09/28/92/559092892.db2.gz BLROXIDRUOBWGQ-FQEVSTJZSA-N 1 0 408.542 4.405 40 0 HIABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21 ZINC000096053523 559093747 /nfs/dbraw/zinc/09/37/47/559093747.db2.gz USDIHPYOSOVIML-FQEVSTJZSA-N 1 0 407.558 4.145 40 0 HIABRO COCCN(C)c1nc(C2CC[NH+](Cc3ccco3)CC2)cc2c1ncn2C(C)C ZINC000096100023 559095414 /nfs/dbraw/zinc/09/54/14/559095414.db2.gz QCJWTMQJESZFRU-UHFFFAOYSA-N 1 0 411.550 4.067 40 0 HIABRO C[NH+](C)[C@H]1CCN(C(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)C1 ZINC000096155523 559099767 /nfs/dbraw/zinc/09/97/67/559099767.db2.gz JYGITZGKGHRELO-FQEVSTJZSA-N 1 0 400.482 4.037 40 0 HIABRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)C1 ZINC000585260808 559108620 /nfs/dbraw/zinc/10/86/20/559108620.db2.gz URJGRFAQFPBWBE-NHCUHLMSSA-N 1 0 416.949 4.322 40 0 HIABRO OCC[N@@H+]1CCC[C@H]1CCc1ccc(Nc2ncc(-c3ccc(F)cc3)s2)nc1 ZINC000585262794 559111404 /nfs/dbraw/zinc/11/14/04/559111404.db2.gz GSYCACFIJVQXJE-IBGZPJMESA-N 1 0 412.534 4.477 40 0 HIABRO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC3)n2)s1 ZINC000585263296 559111956 /nfs/dbraw/zinc/11/19/56/559111956.db2.gz AVPNVSASDBOQFN-SFHVURJKSA-N 1 0 415.607 4.314 40 0 HIABRO COc1ccccc1CC[NH2+][C@H]1CCCN(C(C)=O)[C@H]1Cc1cccc(Cl)c1 ZINC000585284960 559121459 /nfs/dbraw/zinc/12/14/59/559121459.db2.gz JGWZSLCNLABIML-VXKWHMMOSA-N 1 0 400.950 4.103 40 0 HIABRO Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585288993 559122415 /nfs/dbraw/zinc/12/24/15/559122415.db2.gz BTUAIDJGGLEZIM-AWEZNQCLSA-N 1 0 407.396 4.135 40 0 HIABRO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000072216452 559169532 /nfs/dbraw/zinc/16/95/32/559169532.db2.gz ZDKVISBVOQSMBQ-JOCHJYFZSA-N 1 0 422.573 4.476 40 0 HIABRO C[NH+]1CCC(CNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)CC1 ZINC000257208457 559282504 /nfs/dbraw/zinc/28/25/04/559282504.db2.gz BMFNTRZDLSPVAD-UHFFFAOYSA-N 1 0 424.560 4.290 40 0 HIABRO O=C(NCCC[NH+]1CCCC1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257226614 559283759 /nfs/dbraw/zinc/28/37/59/559283759.db2.gz FLJKACUTKVOAOR-UHFFFAOYSA-N 1 0 424.560 4.434 40 0 HIABRO C[NH+]1CCC(CNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)CC1 ZINC000257260450 559284739 /nfs/dbraw/zinc/28/47/39/559284739.db2.gz LCWNHKPSYLHRSV-UHFFFAOYSA-N 1 0 424.560 4.290 40 0 HIABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000257259480 559284741 /nfs/dbraw/zinc/28/47/41/559284741.db2.gz KYPFUPKLWUOEKT-QHCPKHFHSA-N 1 0 400.494 4.234 40 0 HIABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000004231321 560603093 /nfs/dbraw/zinc/60/30/93/560603093.db2.gz FDGPNOHXCCGENP-UHFFFAOYSA-N 1 0 424.520 4.352 40 0 HIABRO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000005219645 568442728 /nfs/dbraw/zinc/44/27/28/568442728.db2.gz CUOHIKCCHYWTHC-XMHCIUCPSA-N 1 0 417.937 4.447 40 0 HIABRO Cc1cccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)n2)c1 ZINC000219239975 568488309 /nfs/dbraw/zinc/48/83/09/568488309.db2.gz XOJJGVYXTKYZPY-SFHVURJKSA-N 1 0 404.514 4.207 40 0 HIABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000219409497 568491376 /nfs/dbraw/zinc/49/13/76/568491376.db2.gz PJOOMOOMTPAALW-UHFFFAOYSA-N 1 0 424.570 4.367 40 0 HIABRO C[NH+](C)[C@@H](CNC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)c1ccccc1 ZINC000025420707 568522804 /nfs/dbraw/zinc/52/28/04/568522804.db2.gz YNBHFAGUCCELGH-FHSBBHSISA-N 1 0 405.380 4.139 40 0 HIABRO Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1 ZINC000223218096 568541387 /nfs/dbraw/zinc/54/13/87/568541387.db2.gz JNWNHVUGVQITET-DHIUTWEWSA-N 1 0 419.598 4.105 40 0 HIABRO Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223235301 568541924 /nfs/dbraw/zinc/54/19/24/568541924.db2.gz RQZBFGQZPZBQLB-XZOQPEGZSA-N 1 0 419.598 4.105 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000223241411 568542349 /nfs/dbraw/zinc/54/23/49/568542349.db2.gz RSCJKIGNNIPBSD-FCHUYYIVSA-N 1 0 406.555 4.266 40 0 HIABRO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000223348999 568546118 /nfs/dbraw/zinc/54/61/18/568546118.db2.gz OPTKKOVORBADND-MRXNPFEDSA-N 1 0 416.949 4.447 40 0 HIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1Cl ZINC000224168372 568572239 /nfs/dbraw/zinc/57/22/39/568572239.db2.gz RDKOHJZIYGPNJI-UHFFFAOYSA-N 1 0 404.913 4.195 40 0 HIABRO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000224536998 568584173 /nfs/dbraw/zinc/58/41/73/568584173.db2.gz MGUNGNPMONCJLT-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225014505 568609302 /nfs/dbraw/zinc/60/93/02/568609302.db2.gz XTIBFOSWWLRXRO-IBGZPJMESA-N 1 0 413.949 4.027 40 0 HIABRO Cc1cc(NCCNC(=S)Nc2nccc(-c3cccs3)n2)c2ccccc2[nH+]1 ZINC000225220637 568624180 /nfs/dbraw/zinc/62/41/80/568624180.db2.gz OGLMXQJEZLUMCX-UHFFFAOYSA-N 1 0 420.567 4.460 40 0 HIABRO C[NH+]1CCC(Oc2ccc(NC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000225814483 568676887 /nfs/dbraw/zinc/67/68/87/568676887.db2.gz QPSDJPDKBZZENN-UHFFFAOYSA-N 1 0 408.420 4.196 40 0 HIABRO CC(C)(C)NC(=O)[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(Cl)cc2)[NH2+]1 ZINC000257212375 568779786 /nfs/dbraw/zinc/77/97/86/568779786.db2.gz CDCLOZJSGOWCRK-WDSOQIARSA-N 1 0 402.970 4.393 40 0 HIABRO CC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(Cl)cc2)[NH2+]1 ZINC000257212374 568779817 /nfs/dbraw/zinc/77/98/17/568779817.db2.gz CDCLOZJSGOWCRK-NEWSRXKRSA-N 1 0 402.970 4.393 40 0 HIABRO O=C1CO[C@@]2(CN1c1ccc(F)cc1)CCC[N@H+](Cc1ccnc3ccccc13)CC2 ZINC000257226886 568783977 /nfs/dbraw/zinc/78/39/77/568783977.db2.gz FMPOMBVBNVEVQM-VWLOTQADSA-N 1 0 419.500 4.162 40 0 HIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257228927 568784573 /nfs/dbraw/zinc/78/45/73/568784573.db2.gz FVXILRXJGYVBIX-SFHVURJKSA-N 1 0 401.938 4.111 40 0 HIABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccnc4ccccc34)C[C@H]2c2cccc(F)c2)N1 ZINC000257267459 568794951 /nfs/dbraw/zinc/79/49/51/568794951.db2.gz MHKQOZQWGOQLQS-WIOPSUGQSA-N 1 0 403.501 4.402 40 0 HIABRO COc1cc(C)c(C[NH+]2CCC(c3cncc(Nc4ncccn4)n3)CC2)c(C)c1C ZINC000257287421 568800711 /nfs/dbraw/zinc/80/07/11/568800711.db2.gz PPXIHQFGDXATCQ-UHFFFAOYSA-N 1 0 418.545 4.324 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257288633 568800988 /nfs/dbraw/zinc/80/09/88/568800988.db2.gz PVAWNZGRMXWOBZ-HSZRJFAPSA-N 1 0 420.601 4.071 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257288634 568801025 /nfs/dbraw/zinc/80/10/25/568801025.db2.gz PVAWNZGRMXWOBZ-QHCPKHFHSA-N 1 0 420.601 4.071 40 0 HIABRO CNc1cc([C@]2(C)CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)nc(C)n1 ZINC000257289891 568801424 /nfs/dbraw/zinc/80/14/24/568801424.db2.gz QAPYUMUCUXCAGA-RUZDIDTESA-N 1 0 417.557 4.354 40 0 HIABRO COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)C[NH+]3CCCCCC3)o2)c1 ZINC000257294988 568803028 /nfs/dbraw/zinc/80/30/28/568803028.db2.gz QWNJBPQFOAIVMU-QFIPXVFZSA-N 1 0 411.546 4.204 40 0 HIABRO CC(=O)N1CCCCC[C@@H]2[N@H+](CC(=O)Nc3ccccn3)[C@H](c3ccccc3)C[C@@]21C ZINC000257328554 568812624 /nfs/dbraw/zinc/81/26/24/568812624.db2.gz XGEBFJZNNSTXJD-HWBMXIPRSA-N 1 0 420.557 4.017 40 0 HIABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)CC1 ZINC000257339097 568815818 /nfs/dbraw/zinc/81/58/18/568815818.db2.gz ZAESWWJHYDFUCC-LJQANCHMSA-N 1 0 410.537 4.463 40 0 HIABRO CC(C)CCNC(=O)[C@@H]1C[C@H](c2ccn(-c3ccccc3)n2)[C@H](c2cccc(F)c2)[NH2+]1 ZINC000257344325 568817380 /nfs/dbraw/zinc/81/73/80/568817380.db2.gz ZWSDLGYCYRRABB-NHTMILBNSA-N 1 0 420.532 4.361 40 0 HIABRO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccs1)CC21CCN(c2ncccn2)CC1 ZINC000306132821 568895013 /nfs/dbraw/zinc/89/50/13/568895013.db2.gz LTCRHHJJONZTRL-UHFFFAOYSA-N 1 0 422.602 4.178 40 0 HIABRO CCc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306137427 568899429 /nfs/dbraw/zinc/89/94/29/568899429.db2.gz QVZMBQOTZORGJX-OZXSUGGESA-N 1 0 420.601 4.255 40 0 HIABRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3cccc(F)c3)CC2)S1(=O)=O ZINC000306143696 568905093 /nfs/dbraw/zinc/90/50/93/568905093.db2.gz YJOPVPSSKACCST-UHFFFAOYSA-N 1 0 402.535 4.123 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000306144625 568906013 /nfs/dbraw/zinc/90/60/13/568906013.db2.gz ZKJFJXVTUWJDOA-RCZVLFRGSA-N 1 0 424.589 4.089 40 0 HIABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)n1 ZINC000328972122 568970655 /nfs/dbraw/zinc/97/06/55/568970655.db2.gz DTIOFNMBVOCXSW-UHFFFAOYSA-N 1 0 402.329 4.011 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328989638 568971534 /nfs/dbraw/zinc/97/15/34/568971534.db2.gz IKXJUAKUMBDOEQ-UHFFFAOYSA-N 1 0 415.463 4.113 40 0 HIABRO Cc1nc2cc(Nc3cc(-c4ccccc4)nc(NCCC[NH+](C)C)n3)ccc2s1 ZINC000328993096 568971854 /nfs/dbraw/zinc/97/18/54/568971854.db2.gz IYPOGAILVZDSIQ-UHFFFAOYSA-N 1 0 418.570 4.013 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)n1 ZINC000329058991 568974896 /nfs/dbraw/zinc/97/48/96/568974896.db2.gz WESXQGPICONGTK-UHFFFAOYSA-N 1 0 416.356 4.401 40 0 HIABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1)c1ccccc1 ZINC000026781619 569025621 /nfs/dbraw/zinc/02/56/21/569025621.db2.gz XDGHMINXQDHNKB-JTHBVZDNSA-N 1 0 402.966 4.299 40 0 HIABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000033857397 569027762 /nfs/dbraw/zinc/02/77/62/569027762.db2.gz XPZYNXNJVXSWRE-OUFMZXHOSA-N 1 0 409.014 4.300 40 0 HIABRO COc1ccc2c(ccn2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)c1 ZINC000257199102 569059037 /nfs/dbraw/zinc/05/90/37/569059037.db2.gz SFHCSZLHAMASRL-PLVHLFARSA-N 1 0 419.569 4.072 40 0 HIABRO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009062660 569342194 /nfs/dbraw/zinc/34/21/94/569342194.db2.gz CCASWVHDAUJTDD-KRWDZBQOSA-N 1 0 416.949 4.144 40 0 HIABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)ccc1Cl ZINC000009063068 569342362 /nfs/dbraw/zinc/34/23/62/569342362.db2.gz YMLHKVHCGSYOTE-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO CC(C)CNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063593 569342422 /nfs/dbraw/zinc/34/24/22/569342422.db2.gz FPTUUUGQVUIXOE-UHFFFAOYSA-N 1 0 411.521 4.062 40 0 HIABRO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CC[N@@H+](C5CCCC5)C4)nc32)c1 ZINC000019696161 569346741 /nfs/dbraw/zinc/34/67/41/569346741.db2.gz FSLYTSBXPGGNLX-NRFANRHFSA-N 1 0 418.585 4.347 40 0 HIABRO Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH2+]Cc4cccnc4)cc23)cc1 ZINC000019212070 569414478 /nfs/dbraw/zinc/41/44/78/569414478.db2.gz RFXLMVOXIWWEQF-UHFFFAOYSA-N 1 0 421.504 4.374 40 0 HIABRO COc1cccc(C[NH+]2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)c1 ZINC000019700125 569428544 /nfs/dbraw/zinc/42/85/44/569428544.db2.gz SMJDNMTVWKSOCG-UHFFFAOYSA-N 1 0 415.537 4.067 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)n1 ZINC000329070227 571304449 /nfs/dbraw/zinc/30/44/49/571304449.db2.gz ZEYOLKIPQYWHKH-UHFFFAOYSA-N 1 0 407.362 4.621 40 0 HIABRO C[NH+](C)CCNc1nc(-c2ccccc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329028540 571304625 /nfs/dbraw/zinc/30/46/25/571304625.db2.gz PVLXFYAHBKAHGZ-UHFFFAOYSA-N 1 0 417.344 4.863 40 0 HIABRO COc1cc2c(cc1OC)CN(c1cc(C(C)C)[nH+]c(NCc3ccccc3)n1)CC2 ZINC000329018956 571308752 /nfs/dbraw/zinc/30/87/52/571308752.db2.gz NUFRDEDQKASQOA-UHFFFAOYSA-N 1 0 418.541 4.792 40 0 HIABRO COc1cc2c(cc1OC)CN(c1cc(C(C)C)[nH+]c(NC3CCCCC3)n1)CC2 ZINC000329031692 571308766 /nfs/dbraw/zinc/30/87/66/571308766.db2.gz QJKOMPIKCOHECU-UHFFFAOYSA-N 1 0 410.562 4.925 40 0 HIABRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(C3CCCCC3)nn2C)cc1 ZINC000035415796 291266639 /nfs/dbraw/zinc/26/66/39/291266639.db2.gz DEGRUIJXWUXZBU-ZDXQCDESSA-N 1 0 422.617 4.444 40 0 biogenic,in-vitro HIABRO Cc1noc(C)c1Cn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NC1CC1)C2 ZINC000049171802 291268918 /nfs/dbraw/zinc/26/89/18/291268918.db2.gz NYOVPFSAHOEVMC-VXKWHMMOSA-N 1 0 420.557 4.175 40 0 biogenic,in-vitro HIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1)N1CCCCC1 ZINC000015673515 291269360 /nfs/dbraw/zinc/26/93/60/291269360.db2.gz UZMYMTUXMIIKEQ-OALUTQOASA-N 1 0 413.587 4.138 40 0 biogenic,in-vitro HIABRO COc1cc(CC[N@@H+]2CCN(c3ccc(Cl)cc3)[C@H](C)C2)cc(OC)c1OC ZINC000005336086 132305040 /nfs/dbraw/zinc/30/50/40/132305040.db2.gz NHFOXPNGAVHDLK-MRXNPFEDSA-N 1 0 404.938 4.119 40 0 HIABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000044939846 521490717 /nfs/dbraw/zinc/49/07/17/521490717.db2.gz WABAHWZQBDBUBK-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2)C1 ZINC000044786669 524232978 /nfs/dbraw/zinc/23/29/78/524232978.db2.gz NWWVOLSHPXKBCD-LJQANCHMSA-N 1 0 405.542 4.407 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019765413 527045292 /nfs/dbraw/zinc/04/52/92/527045292.db2.gz CSRRODGIYIYPCM-OAQYLSRUSA-N 1 0 418.516 4.234 40 0 HIABRO COc1cc(OC)cc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000408605703 557517872 /nfs/dbraw/zinc/51/78/72/557517872.db2.gz GMMHHKQRTMWCGI-UHFFFAOYSA-N 1 0 408.542 4.222 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)c1 ZINC000408710422 557739233 /nfs/dbraw/zinc/73/92/33/557739233.db2.gz XWHHUPKNGGQKFR-UHFFFAOYSA-N 1 0 405.586 4.173 40 0 HIABRO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1F ZINC000008254140 557778449 /nfs/dbraw/zinc/77/84/49/557778449.db2.gz MIMHLPAZCCIXML-CYBMUJFWSA-N 1 0 412.299 4.036 40 0 HIABRO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Br)c1OCc1ccccc1 ZINC000008326270 557781981 /nfs/dbraw/zinc/78/19/81/557781981.db2.gz QNPWUIWNMAINJB-KRWDZBQOSA-N 1 0 408.336 4.287 40 0 HIABRO Nc1ncnc2nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743014 558263322 /nfs/dbraw/zinc/26/33/22/558263322.db2.gz GOILXKRMXSFIHB-ZDUSSCGKSA-N 1 0 405.399 4.145 40 0 HIABRO Cc1nc2cc(C3CCOCC3)nn2c(NC[C@H](c2ccccc2F)[NH+](C)C)c1C ZINC000012154611 558339846 /nfs/dbraw/zinc/33/98/46/558339846.db2.gz GDMZJTJOTXGXPJ-OAQYLSRUSA-N 1 0 411.525 4.094 40 0 HIABRO COc1ccc(-c2ccccc2)cc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](C)O ZINC000012185722 558345149 /nfs/dbraw/zinc/34/51/49/558345149.db2.gz NWAUCLUEDNTRAF-SFHVURJKSA-N 1 0 405.494 4.474 40 0 HIABRO CC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)cc1 ZINC000012188018 558347071 /nfs/dbraw/zinc/34/70/71/558347071.db2.gz UEEKFUYNUSQHHF-HSZRJFAPSA-N 1 0 406.526 4.236 40 0 HIABRO O[C@@H](C[NH+]1CCC2(C=Cc3cc(Cl)ccc3O2)CC1)c1ccc2c(c1)OCCO2 ZINC000012188043 558347096 /nfs/dbraw/zinc/34/70/96/558347096.db2.gz PXCIMKMDLILIMZ-IBGZPJMESA-N 1 0 413.901 4.085 40 0 HIABRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@H+](CCOc3ccccc3)[C@H]2C1 ZINC000012188363 558347132 /nfs/dbraw/zinc/34/71/32/558347132.db2.gz LRKQVPLPPNQCAQ-NQIIRXRSSA-N 1 0 418.459 4.321 40 0 HIABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3cn(C)c4ccccc34)CC1)O2 ZINC000012293226 558366169 /nfs/dbraw/zinc/36/61/69/558366169.db2.gz PNNVNLRAGDFVGI-DNQXCXABSA-N 1 0 420.553 4.179 40 0 HIABRO CCn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)c2ccccc21 ZINC000012293274 558366486 /nfs/dbraw/zinc/36/64/86/558366486.db2.gz LLNNRNHIOAMFEN-DNQXCXABSA-N 1 0 420.553 4.354 40 0 HIABRO CCn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)c2ccccc21 ZINC000012293275 558366550 /nfs/dbraw/zinc/36/65/50/558366550.db2.gz LLNNRNHIOAMFEN-ZEQRLZLVSA-N 1 0 420.553 4.354 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(F)c(F)c1 ZINC000012293707 558366978 /nfs/dbraw/zinc/36/69/78/558366978.db2.gz GYERUCZNTQFJGG-RTBURBONSA-N 1 0 409.860 4.002 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330190 558385113 /nfs/dbraw/zinc/38/51/13/558385113.db2.gz UCIUUMCCNCAHBU-VXKWHMMOSA-N 1 0 413.945 4.213 40 0 HIABRO COc1nc2ccc(C)cc2cc1C[NH+]1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 ZINC000012344582 558386603 /nfs/dbraw/zinc/38/66/03/558386603.db2.gz YXIJYSFQVORTNZ-UHFFFAOYSA-N 1 0 421.516 4.318 40 0 HIABRO Cc1ccccc1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023473188 558559170 /nfs/dbraw/zinc/55/91/70/558559170.db2.gz JYKLCIWIECNPRF-RUZDIDTESA-N 1 0 416.565 4.142 40 0 HIABRO CCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039763072 558685806 /nfs/dbraw/zinc/68/58/06/558685806.db2.gz YRZSSSCZUZYTFC-UHFFFAOYSA-N 1 0 411.521 4.206 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2)c1 ZINC000039767620 558686124 /nfs/dbraw/zinc/68/61/24/558686124.db2.gz RWWVMZJOCFFJHG-UHFFFAOYSA-N 1 0 407.558 4.374 40 0 HIABRO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000039753745 558687350 /nfs/dbraw/zinc/68/73/50/558687350.db2.gz OMADJFADZPSBHE-UHFFFAOYSA-N 1 0 415.940 4.040 40 0 HIABRO CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)no2)cc1 ZINC000028296163 558698956 /nfs/dbraw/zinc/69/89/56/558698956.db2.gz DNOKPAFNFHZFDB-LJQANCHMSA-N 1 0 413.543 4.471 40 0 HIABRO CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)no2)cc1 ZINC000028296119 558699084 /nfs/dbraw/zinc/69/90/84/558699084.db2.gz OVADOQBFQLWZBQ-JOCHJYFZSA-N 1 0 407.514 4.409 40 0 HIABRO C[C@H](C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000036734676 558801142 /nfs/dbraw/zinc/80/11/42/558801142.db2.gz CEINOHUHQWQGIA-CTNGQTDRSA-N 1 0 416.573 4.450 40 0 HIABRO COc1cc2c(cc1CN(Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1)OCO2 ZINC000036740560 558801929 /nfs/dbraw/zinc/80/19/29/558801929.db2.gz AXAPGOSCKISBSC-UHFFFAOYSA-N 1 0 411.546 4.130 40 0 HIABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834458 558817665 /nfs/dbraw/zinc/81/76/65/558817665.db2.gz GXALRWRDGPAHEZ-GOSISDBHSA-N 1 0 400.906 4.367 40 0 HIABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038857301 558819367 /nfs/dbraw/zinc/81/93/67/558819367.db2.gz WDIKLVVJRCANMU-IBGZPJMESA-N 1 0 415.940 4.040 40 0 HIABRO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1C ZINC000038858125 558819595 /nfs/dbraw/zinc/81/95/95/558819595.db2.gz NCBABXBIJLNIHQ-QGZVFWFLSA-N 1 0 400.906 4.286 40 0 HIABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000019236884 558856306 /nfs/dbraw/zinc/85/63/06/558856306.db2.gz LLRVYLPPMGWCIR-XMMPIXPASA-N 1 0 400.526 4.168 40 0 HIABRO COCCc1ncc(CN(Cc2ccccc2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019237144 558856488 /nfs/dbraw/zinc/85/64/88/558856488.db2.gz YAZIXTZUTCAPAN-UHFFFAOYSA-N 1 0 410.606 4.285 40 0 HIABRO COc1ccc(-c2cccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)c2)cc1 ZINC000019291404 558863759 /nfs/dbraw/zinc/86/37/59/558863759.db2.gz CIDLJDACAWPMHW-XZQOPNAISA-N 1 0 417.553 4.215 40 0 HIABRO O=c1c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)coc2ccc(Cl)cc12 ZINC000019372778 558880022 /nfs/dbraw/zinc/88/00/22/558880022.db2.gz HNYWRBYICFROKY-SFTDATJTSA-N 1 0 408.929 4.338 40 0 HIABRO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)N(c1ccccc1)c1ccccc1 ZINC000019372926 558880129 /nfs/dbraw/zinc/88/01/29/558880129.db2.gz NVDXGJALCJWLBT-UHFFFAOYSA-N 1 0 411.509 4.433 40 0 HIABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400333 558882902 /nfs/dbraw/zinc/88/29/02/558882902.db2.gz RCDGKTQNBFLVAZ-FXAWDEMLSA-N 1 0 410.518 4.061 40 0 HIABRO O=C(NCC1(c2cccc(F)c2)CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000019401340 558883538 /nfs/dbraw/zinc/88/35/38/558883538.db2.gz CCDODKAAFLOFSS-UHFFFAOYSA-N 1 0 409.549 4.103 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502837 558900097 /nfs/dbraw/zinc/90/00/97/558900097.db2.gz HUDCVZNFSSNGBI-DEOSSOPVSA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503273 558900630 /nfs/dbraw/zinc/90/06/30/558900630.db2.gz ZVOBJCYRJGQYTL-HSZRJFAPSA-N 1 0 414.553 4.057 40 0 HIABRO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](Cc4cccc(OC)c4)C3)cc2n1 ZINC000019522439 558903805 /nfs/dbraw/zinc/90/38/05/558903805.db2.gz LLWHKVCEXZHMME-OAHLLOKOSA-N 1 0 404.436 4.309 40 0 HIABRO CCc1ncc(C[NH+]2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cn1 ZINC000019523353 558904449 /nfs/dbraw/zinc/90/44/49/558904449.db2.gz UHYDGDORRABADR-UHFFFAOYSA-N 1 0 417.561 4.091 40 0 HIABRO CCn1c(C)c(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c2cc(OC)ccc21 ZINC000019523873 558905144 /nfs/dbraw/zinc/90/51/44/558905144.db2.gz OZMBEGBADCDLOU-FRPAHBMMSA-N 1 0 419.569 4.411 40 0 HIABRO CCCc1nc2ccccc2n1[C@H](C)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000019525501 558906665 /nfs/dbraw/zinc/90/66/65/558906665.db2.gz BHEAYFYTQBZZMW-QGZVFWFLSA-N 1 0 408.550 4.042 40 0 HIABRO COc1ccc(-c2[nH]nc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)c2C)c(OC)c1 ZINC000019555171 558918161 /nfs/dbraw/zinc/91/81/61/558918161.db2.gz OYINOJAKCSKMNA-UHFFFAOYSA-N 1 0 420.513 4.250 40 0 HIABRO Cc1ncsc1-c1nnc([C@H]2CCC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)o1 ZINC000019562749 558923304 /nfs/dbraw/zinc/92/33/04/558923304.db2.gz KXMRVDBBPFIGGD-LBPRGKRZSA-N 1 0 418.906 4.263 40 0 HIABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](Cc4cc(C)c(O)c(C)c4)C3)cc2n1 ZINC000019569959 558928695 /nfs/dbraw/zinc/92/86/95/558928695.db2.gz IUWNWQHBWMXWME-INIZCTEOSA-N 1 0 404.436 4.368 40 0 HIABRO COc1ccccc1CNC(=O)c1cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)no1 ZINC000019570820 558929430 /nfs/dbraw/zinc/92/94/30/558929430.db2.gz KGVHJGRSMQLLIW-UHFFFAOYSA-N 1 0 423.488 4.132 40 0 HIABRO C[NH+](C)CCOc1ccc([C@](O)(c2ccccc2)[C@@H](CCO)c2ccccc2)cc1 ZINC000021297955 558935000 /nfs/dbraw/zinc/93/50/00/558935000.db2.gz CILUUGLLYLAHMG-IZZNHLLZSA-N 1 0 405.538 4.029 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019579617 558935323 /nfs/dbraw/zinc/93/53/23/558935323.db2.gz KDYYWAODJDBSLC-AREMUKBSSA-N 1 0 414.553 4.057 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019579606 558935354 /nfs/dbraw/zinc/93/53/54/558935354.db2.gz MXEXEVOHEAQXJD-AREMUKBSSA-N 1 0 414.553 4.057 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)cc1 ZINC000072341424 558939801 /nfs/dbraw/zinc/93/98/01/558939801.db2.gz KKFFWSRPMWWKBY-FPOVZHCZSA-N 1 0 413.587 4.411 40 0 HIABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072344791 558941066 /nfs/dbraw/zinc/94/10/66/558941066.db2.gz OFMIXZMOKCSQLV-JOCHJYFZSA-N 1 0 402.542 4.104 40 0 HIABRO Cc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344806 558941094 /nfs/dbraw/zinc/94/10/94/558941094.db2.gz JRSYBMZDWPWLMO-JOCHJYFZSA-N 1 0 402.542 4.370 40 0 HIABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019591285 558941635 /nfs/dbraw/zinc/94/16/35/558941635.db2.gz GQAJVDJIZNZPIR-SANMLTNESA-N 1 0 417.528 4.459 40 0 HIABRO Cn1cc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)c2cc(F)ccc21 ZINC000072352528 558948910 /nfs/dbraw/zinc/94/89/10/558948910.db2.gz FWGLAQXQNPOZEJ-ZDUSSCGKSA-N 1 0 408.502 4.016 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072352554 558949005 /nfs/dbraw/zinc/94/90/05/558949005.db2.gz UDKLTARYQNUDTC-MRXNPFEDSA-N 1 0 402.523 4.194 40 0 HIABRO Cc1nc2c(C)cccn2c1C[N@H+]1CCC[C@@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 ZINC000072353761 558950888 /nfs/dbraw/zinc/95/08/88/558950888.db2.gz GAFJCNACZHLPCW-HXUWFJFHSA-N 1 0 414.557 4.435 40 0 HIABRO C[NH+](C)[C@@H](CNC(=O)c1cc(-n2cccn2)ccc1Cl)c1cccc(Cl)c1 ZINC000019664994 558955231 /nfs/dbraw/zinc/95/52/31/558955231.db2.gz QHNFBHDQJBWRAY-IBGZPJMESA-N 1 0 403.313 4.212 40 0 HIABRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4)C3)c2)n1 ZINC000019666476 558956231 /nfs/dbraw/zinc/95/62/31/558956231.db2.gz ZHXWOVCGANHSSV-FQEVSTJZSA-N 1 0 422.960 4.362 40 0 HIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C1)CCC2 ZINC000019689153 558958501 /nfs/dbraw/zinc/95/85/01/558958501.db2.gz MMOMNAYTBBJQFL-OAQYLSRUSA-N 1 0 402.542 4.359 40 0 HIABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)CCC[NH+]2CCCCCC2)n1 ZINC000072372662 558960365 /nfs/dbraw/zinc/96/03/65/558960365.db2.gz FTJDIAXKQNSNPX-QFIPXVFZSA-N 1 0 422.577 4.243 40 0 HIABRO COc1c(C)cccc1C(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)cc(C)[nH+]2)C1 ZINC000072375022 558963415 /nfs/dbraw/zinc/96/34/15/558963415.db2.gz SKFUHYGCHKQXEB-GOSISDBHSA-N 1 0 417.513 4.260 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ccc(C)cn4)n3)C2)cc1 ZINC000072378011 558967284 /nfs/dbraw/zinc/96/72/84/558967284.db2.gz UCCKVKPDJVKPBL-FQEVSTJZSA-N 1 0 416.529 4.262 40 0 HIABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000019709976 558971952 /nfs/dbraw/zinc/97/19/52/558971952.db2.gz UJEFRFXAOVVHBO-JOCHJYFZSA-N 1 0 401.558 4.284 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072394045 558973210 /nfs/dbraw/zinc/97/32/10/558973210.db2.gz VSOIJYRAHTZYTN-RUZDIDTESA-N 1 0 419.525 4.433 40 0 HIABRO COc1ccc(C(C)(C)C)cc1C[NH+]1CCC([C@H](NC(C)=O)c2ccccn2)CC1 ZINC000072398539 558976028 /nfs/dbraw/zinc/97/60/28/558976028.db2.gz AEVCGHIYXDGRHF-DEOSSOPVSA-N 1 0 409.574 4.477 40 0 HIABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(N[C@@H]2CCc3ccccc32)[nH]1 ZINC000019717560 558980244 /nfs/dbraw/zinc/98/02/44/558980244.db2.gz AXADXYWFCPQJCW-OAQYLSRUSA-N 1 0 401.514 4.056 40 0 HIABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](CCOc4cccc(F)c4)C[C@@H]32)o1 ZINC000585109826 559029514 /nfs/dbraw/zinc/02/95/14/559029514.db2.gz YBSPPTAWSGFKNL-WPFOTENUSA-N 1 0 420.484 4.306 40 0 HIABRO Cc1cc(C)cc(C(=O)N2CCC3(C[N@H+](Cc4ccccc4)C[C@@]34CCOC4)CC2)c1 ZINC000585113486 559031373 /nfs/dbraw/zinc/03/13/73/559031373.db2.gz PXIRWQSEVPCEHK-HHHXNRCGSA-N 1 0 418.581 4.448 40 0 HIABRO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCC[NH+]3CCCC3)CCCO2)c1 ZINC000585169169 559067810 /nfs/dbraw/zinc/06/78/10/559067810.db2.gz PMAKSPOVFCLLJM-AREMUKBSSA-N 1 0 422.569 4.056 40 0 HIABRO C[NH+](C)CCCCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000585169172 559067840 /nfs/dbraw/zinc/06/78/40/559067840.db2.gz SMEPXDYMVIJGPR-UHFFFAOYSA-N 1 0 412.549 4.290 40 0 HIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053395 559093294 /nfs/dbraw/zinc/09/32/94/559093294.db2.gz IGZCXDRSPQJABV-HXUWFJFHSA-N 1 0 405.542 4.041 40 0 HIABRO Cc1cnc(Nc2ncc(F)c(CC3CC[NH+](Cc4ccc(C)nc4)CC3)n2)s1 ZINC000585262845 559111474 /nfs/dbraw/zinc/11/14/74/559111474.db2.gz LTFNFKQTENSHID-UHFFFAOYSA-N 1 0 412.538 4.282 40 0 HIABRO CC(=O)Oc1ccc(C[C@@H](C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000100376960 559134646 /nfs/dbraw/zinc/13/46/46/559134646.db2.gz WYYRXLABEPJODI-AWAHEQQVSA-N 1 0 407.510 4.107 40 0 in-man HIABRO Cc1cc(C)c2cc(CN(CCC[NH+](C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000004162007 560602160 /nfs/dbraw/zinc/60/21/60/560602160.db2.gz AKBXSJQLRRWAPQ-UHFFFAOYSA-N 1 0 422.598 4.296 40 0 HIABRO COc1ccc(-c2cc3nc4c(c(NCC(C)(C)C[NH+](C)C)n3n2)CCCC4)cc1 ZINC000004980681 560623097 /nfs/dbraw/zinc/62/30/97/560623097.db2.gz YPWCVVUJXHRJDO-UHFFFAOYSA-N 1 0 407.562 4.283 40 0 HIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000006949782 560746978 /nfs/dbraw/zinc/74/69/78/560746978.db2.gz GGQBRWJQTJVGKX-UHFFFAOYSA-N 1 0 408.283 4.385 40 0 HIABRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009991732 568415868 /nfs/dbraw/zinc/41/58/68/568415868.db2.gz WTABGULYOLYNTO-MRXNPFEDSA-N 1 0 417.347 4.129 40 0 HIABRO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1ccc(F)cc1 ZINC000005513403 568446994 /nfs/dbraw/zinc/44/69/94/568446994.db2.gz MAEOHZDPQIYOPK-SIKLNZKXSA-N 1 0 410.489 4.499 40 0 HIABRO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1 ZINC000223235547 568541968 /nfs/dbraw/zinc/54/19/68/568541968.db2.gz OFPFTROUZTTWLU-XZOQPEGZSA-N 1 0 419.598 4.105 40 0 HIABRO COc1ccc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2c1 ZINC000224538517 568584171 /nfs/dbraw/zinc/58/41/71/568584171.db2.gz MLFXAVYXJCGRFA-UHFFFAOYSA-N 1 0 424.566 4.313 40 0 HIABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C(C)C ZINC000224841385 568599546 /nfs/dbraw/zinc/59/95/46/568599546.db2.gz ZSWVDXNQZXYXEW-UHFFFAOYSA-N 1 0 416.587 4.283 40 0 HIABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 ZINC000225577434 568653292 /nfs/dbraw/zinc/65/32/92/568653292.db2.gz MZXVSRQJOXRGGC-UHFFFAOYSA-N 1 0 416.949 4.357 40 0 HIABRO COc1ccccc1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257205594 568777705 /nfs/dbraw/zinc/77/77/05/568777705.db2.gz AZTZKSBYVCBZJP-VKIQVIDCSA-N 1 0 418.581 4.371 40 0 HIABRO CNC(=O)c1cnn([C@H]2CCC[N@H+](Cc3cccc(-c4ccccc4OC)c3)CC2)c1 ZINC000257232312 568785288 /nfs/dbraw/zinc/78/52/88/568785288.db2.gz GKHZIFZOEPLSNB-QFIPXVFZSA-N 1 0 418.541 4.146 40 0 HIABRO CNc1cc([C@]2(C)CCC[N@H+](Cc3ccccc3OCc3ccccn3)C2)nc(C)n1 ZINC000257237582 568786807 /nfs/dbraw/zinc/78/68/07/568786807.db2.gz HHCWYEIMBAKLHS-RUZDIDTESA-N 1 0 417.557 4.354 40 0 HIABRO CNc1cc([C@@]2(C)CCC[N@H+](Cc3ccccc3OCc3ccccn3)C2)nc(C)n1 ZINC000257237583 568786953 /nfs/dbraw/zinc/78/69/53/568786953.db2.gz HHCWYEIMBAKLHS-VWLOTQADSA-N 1 0 417.557 4.354 40 0 HIABRO Cc1cnc(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)cn1 ZINC000257253685 568791403 /nfs/dbraw/zinc/79/14/03/568791403.db2.gz JZVVDXVLJNSEBL-QGZVFWFLSA-N 1 0 405.477 4.391 40 0 HIABRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C)c(CC(=O)N3CCCCC3)c(C)n2)C1 ZINC000257286218 568800532 /nfs/dbraw/zinc/80/05/32/568800532.db2.gz PKTJXNHNNUAZBS-QHCPKHFHSA-N 1 0 420.601 4.336 40 0 HIABRO CCn1cc(C[NH+]2CCC3(CC2)Oc2ccccc2-c2ncn(CC4CC4)c23)cn1 ZINC000306136966 568898862 /nfs/dbraw/zinc/89/88/62/568898862.db2.gz QHTITUVMXGLFOL-UHFFFAOYSA-N 1 0 403.530 4.060 40 0 HIABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](Cc4ccncc4)C3)nn2c1 ZINC000306138963 568900922 /nfs/dbraw/zinc/90/09/22/568900922.db2.gz SLUOEQDXZUHXFW-IBGZPJMESA-N 1 0 417.488 4.319 40 0 HIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000248033464 569316142 /nfs/dbraw/zinc/31/61/42/569316142.db2.gz YMTKDAKARQKANZ-NFBKMPQASA-N 1 0 423.605 4.297 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)c1 ZINC000009063075 569342366 /nfs/dbraw/zinc/34/23/66/569342366.db2.gz JQLYXLQPAHGMAE-UHFFFAOYSA-N 1 0 419.569 4.472 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)n1 ZINC000019236203 569345301 /nfs/dbraw/zinc/34/53/01/569345301.db2.gz MWVPOERFUCQGBG-ATIYNZHBSA-N 1 0 414.553 4.097 40 0 HIABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](NC(=O)C2CCC2)c2ccccn2)cc1 ZINC000019555272 569345643 /nfs/dbraw/zinc/34/56/43/569345643.db2.gz ASQMJPZVYKDROF-ZJSXRUAMSA-N 1 0 407.558 4.492 40 0 HIABRO COc1ccccc1C[NH+]1CCC(Cc2cccc(-c3cccnc3)c2)(C(N)=O)CC1 ZINC000019700340 569428751 /nfs/dbraw/zinc/42/87/51/569428751.db2.gz YWWUPTAHPAZZPM-UHFFFAOYSA-N 1 0 415.537 4.067 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)n1 ZINC000329023038 571304424 /nfs/dbraw/zinc/30/44/24/571304424.db2.gz OQZBWABSVBVPGK-UHFFFAOYSA-N 1 0 413.472 4.852 40 0 HIABRO Cc1cc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)ccc1C(C)C ZINC000328981272 571307616 /nfs/dbraw/zinc/30/76/16/571307616.db2.gz GTXGWRDBBIBWGW-UHFFFAOYSA-N 1 0 404.562 5.078 40 0 HIABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329045548 571309723 /nfs/dbraw/zinc/30/97/23/571309723.db2.gz TWOOIQVPNPIFDH-UHFFFAOYSA-N 1 0 423.358 4.976 40 0 HIABRO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3cccs3)C2)cc1 ZINC000020503513 575369807 /nfs/dbraw/zinc/36/98/07/575369807.db2.gz OUEZAUXVZWGTAJ-PKOBYXMFSA-N 1 0 419.550 4.155 40 0 biogenic,in-vitro HIABRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC[C@H]1COC(=O)N21 ZINC000225492151 291266793 /nfs/dbraw/zinc/26/67/93/291266793.db2.gz FZONSIDDWBOKTF-KRWDZBQOSA-N 1 0 406.404 4.445 40 0 biogenic,in-vitro HIABRO Clc1cccc(-c2cnc3n2C[C@H](C[NH2+]Cc2cnc4ccccc4c2)OC3)c1 ZINC000096269350 291268914 /nfs/dbraw/zinc/26/89/14/291268914.db2.gz UXDUOIKUQOTZIA-FQEVSTJZSA-N 1 0 404.901 4.440 40 0 biogenic,in-vitro HIABRO CCC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291566 132358065 /nfs/dbraw/zinc/35/80/65/132358065.db2.gz YDNVURKSBJDNJA-DEOSSOPVSA-N 1 0 408.517 4.338 40 0 HIABRO COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044786527 521987465 /nfs/dbraw/zinc/98/74/65/521987465.db2.gz DTHRDQNMTZVXKF-GOSISDBHSA-N 1 0 400.906 4.286 40 0 HIABRO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044852873 525432897 /nfs/dbraw/zinc/43/28/97/525432897.db2.gz VPAKCTPQDZBXSR-SFHVURJKSA-N 1 0 400.950 4.444 40 0 HIABRO Cc1ccc2cc(CN(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000004231326 557530626 /nfs/dbraw/zinc/53/06/26/557530626.db2.gz DYMZBBMIYPCRIO-UHFFFAOYSA-N 1 0 422.504 4.106 40 0 HIABRO Cc1cccc(OCc2nnc(SCC[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000035311653 557687646 /nfs/dbraw/zinc/68/76/46/557687646.db2.gz NMWAYINXRCUMCT-UHFFFAOYSA-N 1 0 408.571 4.402 40 0 HIABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccc(OC)c(C)c4C)[C@H]3C2)cc1 ZINC000012188398 558347383 /nfs/dbraw/zinc/34/73/83/558347383.db2.gz DFHDSWIUCBOUTG-GGAORHGYSA-N 1 0 408.542 4.057 40 0 HIABRO C[N@H+](Cc1c2cccnc2n(CC(=O)NC2CC2)c1-c1ccco1)Cc1ccccc1 ZINC000012222447 558356409 /nfs/dbraw/zinc/35/64/09/558356409.db2.gz MATDWFAYPUQKLX-UHFFFAOYSA-N 1 0 414.509 4.207 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(Cl)c(Cl)c1 ZINC000012293633 558366758 /nfs/dbraw/zinc/36/67/58/558366758.db2.gz OEJXEPKENSVLMR-RBUKOAKNSA-N 1 0 408.325 4.378 40 0 HIABRO COCCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(C)cc2)C3)cc1OC ZINC000012329103 558383765 /nfs/dbraw/zinc/38/37/65/558383765.db2.gz DTOOBSBPZOOASS-OFFJZUQKSA-N 1 0 411.542 4.043 40 0 HIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012329971 558384903 /nfs/dbraw/zinc/38/49/03/558384903.db2.gz LDJGKPOLXLCUJU-RPWUZVMVSA-N 1 0 419.521 4.233 40 0 HIABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330176 558385157 /nfs/dbraw/zinc/38/51/57/558385157.db2.gz RFZPPCQGGIFNDP-BJKOFHAPSA-N 1 0 407.554 4.176 40 0 HIABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330287 558385526 /nfs/dbraw/zinc/38/55/26/558385526.db2.gz JGCDKFNYNJWGSR-BJKOFHAPSA-N 1 0 407.554 4.258 40 0 HIABRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189496 558591418 /nfs/dbraw/zinc/59/14/18/558591418.db2.gz NWELWMXXXUAGKL-MRXNPFEDSA-N 1 0 417.347 4.129 40 0 HIABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000026919799 558666970 /nfs/dbraw/zinc/66/69/70/558666970.db2.gz PRFWJKBNPGNZOH-FMRHZRETSA-N 1 0 421.025 4.050 40 0 HIABRO COc1ccc(-c2cc(C(F)F)nc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2)cc1OC ZINC000036613931 558726809 /nfs/dbraw/zinc/72/68/09/558726809.db2.gz DLTXPRQDHLWRCX-GOOCMWNKSA-N 1 0 404.461 4.136 40 0 HIABRO CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030939693 558745433 /nfs/dbraw/zinc/74/54/33/558745433.db2.gz XAERNABGDCUZRD-LJQANCHMSA-N 1 0 411.521 4.206 40 0 HIABRO C[N@H+](CC[C@@H]1c2ccccc2COc2ccccc21)C[C@@H](O)COc1ccccc1 ZINC000031297689 558749295 /nfs/dbraw/zinc/74/92/95/558749295.db2.gz SZQLTQPHXXXMNC-ZJSXRUAMSA-N 1 0 403.522 4.473 40 0 in-man HIABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038855530 558819181 /nfs/dbraw/zinc/81/91/81/558819181.db2.gz ZSCCURZRPZVYGS-PKOBYXMFSA-N 1 0 411.521 4.205 40 0 HIABRO COc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccccc3F)CC1)CCCC2 ZINC000019021075 558837918 /nfs/dbraw/zinc/83/79/18/558837918.db2.gz ZVIQLXNJZZTDOE-UHFFFAOYSA-N 1 0 410.533 4.341 40 0 HIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019081859 558840006 /nfs/dbraw/zinc/84/00/06/558840006.db2.gz QEPXLMUAVBMRPA-DYESRHJHSA-N 1 0 401.501 4.475 40 0 HIABRO Cc1cc2c(cc1Br)C(=O)[C@@](C[NH+]1CCCCC1)(N1CCCCC1)CO2 ZINC000019203054 558847477 /nfs/dbraw/zinc/84/74/77/558847477.db2.gz SGMPGRJBBAJIDM-NRFANRHFSA-N 1 0 421.379 4.043 40 0 HIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3ccc(C)s3)C1)O2 ZINC000019217188 558850699 /nfs/dbraw/zinc/85/06/99/558850699.db2.gz MXSHNTGVESUWCV-JPYJTQIMSA-N 1 0 414.571 4.087 40 0 HIABRO Cc1ccccc1-c1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)cn1 ZINC000019237556 558856764 /nfs/dbraw/zinc/85/67/64/558856764.db2.gz BLFRLQMARSPYCQ-JYFHCDHNSA-N 1 0 412.537 4.090 40 0 HIABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400330 558882866 /nfs/dbraw/zinc/88/28/66/558882866.db2.gz RCDGKTQNBFLVAZ-YLJYHZDGSA-N 1 0 410.518 4.061 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503352 558900466 /nfs/dbraw/zinc/90/04/66/558900466.db2.gz BZBSJFQUYIISBF-DEOSSOPVSA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](CC2=CCCOC2)C[C@H](Cc2ccccc2-c2cccs2)C1=O ZINC000019503332 558900553 /nfs/dbraw/zinc/90/05/53/558900553.db2.gz JOVQKEHNIXRXKC-QFIPXVFZSA-N 1 0 424.610 4.475 40 0 HIABRO C[NH+](C)CCOc1ccc([C@@](O)(c2ccccc2)[C@H](CCO)c2ccccc2)cc1 ZINC000021297968 558935115 /nfs/dbraw/zinc/93/51/15/558935115.db2.gz CILUUGLLYLAHMG-FTJBHMTQSA-N 1 0 405.538 4.029 40 0 HIABRO C[NH+](C)CCOc1ccc([C@](O)(c2ccccc2)[C@H](CCO)c2ccccc2)cc1 ZINC000021297963 558935133 /nfs/dbraw/zinc/93/51/33/558935133.db2.gz CILUUGLLYLAHMG-CLJLJLNGSA-N 1 0 405.538 4.029 40 0 HIABRO COc1cc(C[NH+]2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)ccc1O ZINC000072340793 558939364 /nfs/dbraw/zinc/93/93/64/558939364.db2.gz AOEYHJWWUHTLIF-UHFFFAOYSA-N 1 0 420.435 4.150 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344787 558941130 /nfs/dbraw/zinc/94/11/30/558941130.db2.gz YQMWXCOOTIFLFX-OAQYLSRUSA-N 1 0 418.541 4.070 40 0 HIABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000072346223 558943095 /nfs/dbraw/zinc/94/30/95/558943095.db2.gz HZMCGMVZNIFOKY-QGZVFWFLSA-N 1 0 408.937 4.111 40 0 HIABRO COc1cccc(OCC[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c1 ZINC000072352390 558948668 /nfs/dbraw/zinc/94/86/68/558948668.db2.gz DHZNIMRHMJDRIR-QGZVFWFLSA-N 1 0 424.566 4.480 40 0 HIABRO COc1ccccc1Cc1cc(C)nc([C@@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)c1 ZINC000072353982 558951254 /nfs/dbraw/zinc/95/12/54/558951254.db2.gz XBRWMMJBYAEXPO-JOCHJYFZSA-N 1 0 404.558 4.411 40 0 HIABRO Cc1ccc([C@@H](CNC(=O)C2(c3cccc(C)c3)CCOCC2)[NH+]2CCCC2)cc1 ZINC000019662535 558953407 /nfs/dbraw/zinc/95/34/07/558953407.db2.gz KLSIGCXMKJILSW-XMMPIXPASA-N 1 0 406.570 4.305 40 0 HIABRO COCCc1ncc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)[nH+]2)cn1 ZINC000072372703 558960558 /nfs/dbraw/zinc/96/05/58/558960558.db2.gz UFGMWTYCSTWAHE-HXUWFJFHSA-N 1 0 424.574 4.215 40 0 HIABRO COCCc1ncc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)[nH+]2)cn1 ZINC000072372702 558960600 /nfs/dbraw/zinc/96/06/00/558960600.db2.gz UFGMWTYCSTWAHE-FQEVSTJZSA-N 1 0 424.574 4.215 40 0 HIABRO CCn1ncc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000019693964 558961969 /nfs/dbraw/zinc/96/19/69/558961969.db2.gz JSUJOSYZNFARSP-IBGZPJMESA-N 1 0 422.552 4.253 40 0 HIABRO Cc1c(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)cnn1C ZINC000019694052 558962084 /nfs/dbraw/zinc/96/20/84/558962084.db2.gz FIYMIZANHATITH-SFHVURJKSA-N 1 0 424.980 4.285 40 0 HIABRO C[C@@H](Nc1ncc(C(=O)N2CCCC2)c(CC[NH2+]CC(C)(C)C)n1)c1ccccc1 ZINC000019697772 558965465 /nfs/dbraw/zinc/96/54/65/558965465.db2.gz YMVVZPSYEMOFPQ-GOSISDBHSA-N 1 0 409.578 4.064 40 0 HIABRO COc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)on2)cc1 ZINC000072391749 558971482 /nfs/dbraw/zinc/97/14/82/558971482.db2.gz GHXIVPCMCVLFEO-UHFFFAOYSA-N 1 0 405.498 4.087 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(F)c1 ZINC000072398624 558976360 /nfs/dbraw/zinc/97/63/60/558976360.db2.gz XLJLBMJSIJCIHN-GCJKJVERSA-N 1 0 413.537 4.345 40 0 HIABRO Cc1c(C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)sc2[nH]c(C)nc(=O)c12 ZINC000019718939 558982336 /nfs/dbraw/zinc/98/23/36/558982336.db2.gz HIIKEDYVLLOYLY-CYBMUJFWSA-N 1 0 410.543 4.228 40 0 HIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053479 559093598 /nfs/dbraw/zinc/09/35/98/559093598.db2.gz NHTUFXKCIJOKAK-NRFANRHFSA-N 1 0 407.558 4.241 40 0 HIABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053526 559093734 /nfs/dbraw/zinc/09/37/34/559093734.db2.gz GYWUXSTZDVNKBI-OAQYLSRUSA-N 1 0 407.558 4.145 40 0 HIABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053527 559093759 /nfs/dbraw/zinc/09/37/59/559093759.db2.gz GYWUXSTZDVNKBI-NRFANRHFSA-N 1 0 407.558 4.145 40 0 HIABRO O=C(Nc1ccccc1F)c1ccc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096267519 559108207 /nfs/dbraw/zinc/10/82/07/559108207.db2.gz ZJSLKBUXZKSYHQ-GOSISDBHSA-N 1 0 415.472 4.110 40 0 HIABRO Fc1ccc(-c2cnc(Nc3cc(C[C@@H]4C[NH2+]CCOC4)ccn3)s2)cc1F ZINC000585262987 559111603 /nfs/dbraw/zinc/11/16/03/559111603.db2.gz SOFDEYOBHYSHJB-CQSZACIVSA-N 1 0 402.470 4.005 40 0 HIABRO Cc1cc(OC[C@]2(O)COCC[N@@H+]([C@H]3CC[C@H](c4ccccc4)CC3)C2)ccc1F ZINC000585282016 559119724 /nfs/dbraw/zinc/11/97/24/559119724.db2.gz FPDJYLJHMSWEOQ-TZBSWOFLSA-N 1 0 413.533 4.303 40 0 HIABRO O[C@]1(COc2cc(F)cc(F)c2)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585283608 559120773 /nfs/dbraw/zinc/12/07/73/559120773.db2.gz SLIAYDACDQZXCX-APTRMMRNSA-N 1 0 417.496 4.133 40 0 HIABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216484 559169573 /nfs/dbraw/zinc/16/95/73/559169573.db2.gz CBAWSYUGOGQGQA-HXUWFJFHSA-N 1 0 402.583 4.322 40 0 HIABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113951132 559183007 /nfs/dbraw/zinc/18/30/07/559183007.db2.gz MMRKQPSFDAIROT-XMMPIXPASA-N 1 0 403.526 4.388 40 0 HIABRO O=C(CCc1ccccc1)N1CC[N@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355106 559185810 /nfs/dbraw/zinc/18/58/10/559185810.db2.gz DPRDELZXUKQSHI-RUZDIDTESA-N 1 0 413.565 4.218 40 0 HIABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000072358896 559186042 /nfs/dbraw/zinc/18/60/42/559186042.db2.gz NNHOTJMTTJNXRR-NRFANRHFSA-N 1 0 416.525 4.360 40 0 HIABRO Cc1nc2cc(C(F)(F)F)ccc2n1C1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000004858296 560612116 /nfs/dbraw/zinc/61/21/16/560612116.db2.gz VIMJZYRIKJHKMT-UHFFFAOYSA-N 1 0 422.495 4.449 40 0 HIABRO CCC[NH+]1CCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn42)CCCC3)CC1 ZINC000004980662 560622916 /nfs/dbraw/zinc/62/29/16/560622916.db2.gz XKWCPXDYGYUPPZ-UHFFFAOYSA-N 1 0 409.965 4.461 40 0 HIABRO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408994408 560663190 /nfs/dbraw/zinc/66/31/90/560663190.db2.gz ZMKPREXCMUABJB-OAQYLSRUSA-N 1 0 423.538 4.204 40 0 HIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000006629873 560744517 /nfs/dbraw/zinc/74/45/17/560744517.db2.gz XMJSQVWNUKPFNP-UHFFFAOYSA-N 1 0 405.951 4.317 40 0 HIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1 ZINC000006629893 560744572 /nfs/dbraw/zinc/74/45/72/560744572.db2.gz YXAGRVDBNNOASX-UHFFFAOYSA-N 1 0 420.376 4.418 40 0 HIABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)c1 ZINC000007540539 560751626 /nfs/dbraw/zinc/75/16/26/560751626.db2.gz ZCNPKYARRRJSMM-UHFFFAOYSA-N 1 0 423.509 4.434 40 0 HIABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1I ZINC000017083309 560862370 /nfs/dbraw/zinc/86/23/70/560862370.db2.gz WSHZDUBZBUKJNX-UHFFFAOYSA-N 1 0 406.267 4.139 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2nc(-c3ccccc3Cl)no2)CC1 ZINC000219405417 568491399 /nfs/dbraw/zinc/49/13/99/568491399.db2.gz XUWDANDQJCWORB-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000219412450 568491508 /nfs/dbraw/zinc/49/15/08/568491508.db2.gz JTRBMMTXFPIIFS-UHFFFAOYSA-N 1 0 424.932 4.261 40 0 HIABRO Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4Cl)C3)n2)cc1 ZINC000222595638 568519813 /nfs/dbraw/zinc/51/98/13/568519813.db2.gz ZFNFURAASQYDSQ-LJQANCHMSA-N 1 0 424.932 4.227 40 0 HIABRO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000224027838 568566868 /nfs/dbraw/zinc/56/68/68/568566868.db2.gz QLNZCJBTFVVLRB-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000224526532 568583607 /nfs/dbraw/zinc/58/36/07/568583607.db2.gz HLZVGJSBTKFLKH-GOSISDBHSA-N 1 0 408.542 4.444 40 0 HIABRO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224534226 568584013 /nfs/dbraw/zinc/58/40/13/568584013.db2.gz KHWUNMVTGJLJPD-UHFFFAOYSA-N 1 0 407.341 4.401 40 0 HIABRO O=C(CN1c2cccc3cccc(c23)C1=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224659032 568591109 /nfs/dbraw/zinc/59/11/09/568591109.db2.gz FDPWPROBEBZCPV-UHFFFAOYSA-N 1 0 413.521 4.102 40 0 HIABRO O=S(=O)(Cc1c(F)cccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224672602 568591793 /nfs/dbraw/zinc/59/17/93/568591793.db2.gz ABGJSESVDJTBPY-UHFFFAOYSA-N 1 0 410.942 4.085 40 0 HIABRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000224779837 568596662 /nfs/dbraw/zinc/59/66/62/568596662.db2.gz CHLXDCPGJKIDFI-UHFFFAOYSA-N 1 0 413.370 4.209 40 0 HIABRO COc1ncccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@@H]2Cc1ccccc1 ZINC000257235215 568786119 /nfs/dbraw/zinc/78/61/19/568786119.db2.gz GWXQWKNFWZWUFO-KDHQNNTKSA-N 1 0 419.569 4.179 40 0 HIABRO O=C(CNc1ccccc1F)N1CCC(c2cc(Nc3ccccn3)ccn2)CC1 ZINC000257266533 568794584 /nfs/dbraw/zinc/79/45/84/568794584.db2.gz MDKBRKAFVQOISP-UHFFFAOYSA-N 1 0 405.477 4.177 40 0 HIABRO O=C(c1cccn2cc(-c3ccc(F)cc3)nc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000257271978 568796145 /nfs/dbraw/zinc/79/61/45/568796145.db2.gz NAOAQKBLCIGPJF-UHFFFAOYSA-N 1 0 406.505 4.231 40 0 HIABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NCC3CCCC3)[NH2+][C@H]2c2cccc(F)c2)n1 ZINC000257272895 568796402 /nfs/dbraw/zinc/79/64/02/568796402.db2.gz NEGQEODGUPAYGN-HJNYFJLDSA-N 1 0 412.553 4.270 40 0 HIABRO Cc1nc([C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257276918 568797581 /nfs/dbraw/zinc/79/75/81/568797581.db2.gz NVQYUAGWCXVOLJ-QFIPXVFZSA-N 1 0 408.590 4.273 40 0 HIABRO Cc1cc(Nc2ccccn2)nc(C2CC[NH+](CCC(=O)Nc3ccccc3)CC2)n1 ZINC000257326634 568812179 /nfs/dbraw/zinc/81/21/79/568812179.db2.gz WXZGTPSEJPLHJD-UHFFFAOYSA-N 1 0 416.529 4.132 40 0 HIABRO CNc1cc(C)nc([C@]2(C)CCC[N@H+](Cc3ccccc3OCc3ccccn3)C2)n1 ZINC000257341559 568816351 /nfs/dbraw/zinc/81/63/51/568816351.db2.gz ZKWWCJSTXUHKOH-RUZDIDTESA-N 1 0 417.557 4.354 40 0 HIABRO CC(C)C[N@@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000306142272 568903738 /nfs/dbraw/zinc/90/37/38/568903738.db2.gz WVAJPMMZCYIEMD-REWPJTCUSA-N 1 0 413.587 4.210 40 0 HIABRO Cc1ccsc1C[N@H+]1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306144784 568906275 /nfs/dbraw/zinc/90/62/75/568906275.db2.gz ZOKVUXPNVHPKFQ-AUSIDOKSSA-N 1 0 412.603 4.062 40 0 HIABRO Brc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329036033 568973959 /nfs/dbraw/zinc/97/39/59/568973959.db2.gz RHMXWWTWLSSFAI-UHFFFAOYSA-N 1 0 401.352 4.317 40 0 HIABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000245318936 569314070 /nfs/dbraw/zinc/31/40/70/569314070.db2.gz XPZYNXNJVXSWRE-YJSIEXFISA-N 1 0 409.014 4.300 40 0 HIABRO C[C@H](C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000248137621 569316418 /nfs/dbraw/zinc/31/64/18/569316418.db2.gz AOUGWCHXBKCHMN-JLRUASKGSA-N 1 0 414.553 4.463 40 0 HIABRO C[C@@H]1CCCC[N@@H+]1[C@@H](C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000248158922 569316538 /nfs/dbraw/zinc/31/65/38/569316538.db2.gz WOSNLWWKJPNUKB-SXSPYAJSSA-N 1 0 420.532 4.381 40 0 HIABRO CC[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000001447529 569320405 /nfs/dbraw/zinc/32/04/05/569320405.db2.gz GHMZIXAPPXKQCY-UHFFFAOYSA-N 1 0 401.489 4.369 40 0 HIABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)ccc1Cl ZINC000009062958 569342278 /nfs/dbraw/zinc/34/22/78/569342278.db2.gz QADRVGVIBUGZRO-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO CC[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)c3cccc4c3C(=O)N(C)C4)cc2)[C@@H](C)C1 ZINC000012144909 569344632 /nfs/dbraw/zinc/34/46/32/569344632.db2.gz HSFUCFDYZBHSEG-AZUAARDMSA-N 1 0 419.569 4.435 40 0 HIABRO CCN(CC)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+]1Cc1cccnc1 ZINC000019696552 569346842 /nfs/dbraw/zinc/34/68/42/569346842.db2.gz WEIVZVGNBHFGKC-VWLOTQADSA-N 1 0 418.541 4.182 40 0 HIABRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000036773786 569351729 /nfs/dbraw/zinc/35/17/29/569351729.db2.gz AOTQHLOERXZKOW-CQSZACIVSA-N 1 0 408.329 4.151 40 0 HIABRO CCCNC(=O)[C@@H]1Cc2cn(Cc3ccccn3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171687 291263090 /nfs/dbraw/zinc/26/30/90/291263090.db2.gz ACSGTXPGEZRYMU-VXKWHMMOSA-N 1 0 404.558 4.212 40 0 biogenic,in-vitro HIABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)Nc2ccccc2)no1)c1ccccc1 ZINC000012482566 291263801 /nfs/dbraw/zinc/26/38/01/291263801.db2.gz UVKIWHVAXOTMFD-PMACEKPBSA-N 1 0 418.541 4.108 40 0 biogenic,in-vitro HIABRO O=C(C1CCCC1)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291638 132357988 /nfs/dbraw/zinc/35/79/88/132357988.db2.gz VNTASUSXQLMGDN-NRFANRHFSA-N 1 0 424.507 4.464 40 0 HIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(OC)c(OC)c1 ZINC000044856822 522668885 /nfs/dbraw/zinc/66/88/85/522668885.db2.gz HMPHBMGWBOBKMD-JOCHJYFZSA-N 1 0 410.558 4.492 40 0 HIABRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001759733 557285277 /nfs/dbraw/zinc/28/52/77/557285277.db2.gz LCCFKBNGZIEGRL-UHFFFAOYSA-N 1 0 416.565 4.293 40 0 HIABRO Cc1nc([C@H]2CCC[N@@H+]2CCc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019753337 558272838 /nfs/dbraw/zinc/27/28/38/558272838.db2.gz KULDPNQSGNYUMS-HSZRJFAPSA-N 1 0 400.526 4.095 40 0 HIABRO Cc1cc2c(cc1C)OC1(C=C2)CC[NH+](C[C@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012188007 558347085 /nfs/dbraw/zinc/34/70/85/558347085.db2.gz LQOHXDJMXPDFOM-NRFANRHFSA-N 1 0 407.510 4.048 40 0 HIABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cccc3c2C(=O)N(C)C3)cc1 ZINC000012241245 558360384 /nfs/dbraw/zinc/36/03/84/558360384.db2.gz NVTVUXPLEMAGKC-HKUYNNGSSA-N 1 0 405.542 4.045 40 0 HIABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000012293474 558366460 /nfs/dbraw/zinc/36/64/60/558366460.db2.gz HMNPXFXUPBWCOM-LEWJYISDSA-N 1 0 401.934 4.341 40 0 HIABRO CCn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c2ccccc21 ZINC000012293268 558366491 /nfs/dbraw/zinc/36/64/91/558366491.db2.gz VNPLEWQRMDTNRK-XZOQPEGZSA-N 1 0 406.526 4.045 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(F)c(F)c1 ZINC000012293706 558367100 /nfs/dbraw/zinc/36/71/00/558367100.db2.gz GYERUCZNTQFJGG-MOPGFXCFSA-N 1 0 409.860 4.002 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(Cl)cc1 ZINC000012329781 558384552 /nfs/dbraw/zinc/38/45/52/558384552.db2.gz OATZSZXAZZJPSJ-MOPGFXCFSA-N 1 0 408.325 4.378 40 0 HIABRO Cc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(C)ccc1O2 ZINC000012329717 558384581 /nfs/dbraw/zinc/38/45/81/558384581.db2.gz QYCHIZVIFHVINK-PKTZIBPZSA-N 1 0 406.526 4.169 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330272 558385477 /nfs/dbraw/zinc/38/54/77/558385477.db2.gz JCDLAXWECMEKAP-DHIUTWEWSA-N 1 0 411.517 4.089 40 0 HIABRO O=C(NCCCN1CCc2ccccc21)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039760106 558685403 /nfs/dbraw/zinc/68/54/03/558685403.db2.gz QOGGEXZRVZODNC-UHFFFAOYSA-N 1 0 411.977 4.121 40 0 HIABRO CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039766540 558686130 /nfs/dbraw/zinc/68/61/30/558686130.db2.gz KKFDNJSWGPRFQI-UHFFFAOYSA-N 1 0 411.521 4.205 40 0 HIABRO COC(=O)c1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ccc1Cl ZINC000030938885 558745133 /nfs/dbraw/zinc/74/51/33/558745133.db2.gz NSRRGASOXINSQP-HNNXBMFYSA-N 1 0 404.869 4.116 40 0 HIABRO Cc1cc2oc(=O)cc(C)c2cc1OC[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000016284591 558783744 /nfs/dbraw/zinc/78/37/44/558783744.db2.gz FEIZKKUCBKCPBG-INIZCTEOSA-N 1 0 422.308 4.246 40 0 HIABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000035083528 558788294 /nfs/dbraw/zinc/78/82/94/558788294.db2.gz AZACNPZCGAGACO-WMQCIHAUSA-N 1 0 409.014 4.363 40 0 HIABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038855527 558819301 /nfs/dbraw/zinc/81/93/01/558819301.db2.gz ZSCCURZRPZVYGS-IEBWSBKVSA-N 1 0 411.521 4.205 40 0 HIABRO O=C(C1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019014867 558837001 /nfs/dbraw/zinc/83/70/01/558837001.db2.gz DFFPNBZEADOWEH-OAQYLSRUSA-N 1 0 412.578 4.117 40 0 HIABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C1 ZINC000019235975 558855209 /nfs/dbraw/zinc/85/52/09/558855209.db2.gz FAPZYTDNYWNEAE-FQEVSTJZSA-N 1 0 417.557 4.301 40 0 HIABRO Cc1cccc(C[NH+]2CCC([C@@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)n1 ZINC000019236165 558855329 /nfs/dbraw/zinc/85/53/29/558855329.db2.gz QCLLQVMVQZXOKE-RUZDIDTESA-N 1 0 406.574 4.435 40 0 HIABRO COc1cc(C[NH+]2CCC(c3nc(C)n4c(C)csc34)CC2)cc(OC)c1OC ZINC000019240573 558859175 /nfs/dbraw/zinc/85/91/75/558859175.db2.gz SUEKKNGXQHTLEL-UHFFFAOYSA-N 1 0 415.559 4.418 40 0 HIABRO Cc1nc(C[C@@H]([NH2+]Cc2cccc3ncccc23)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285350 558859717 /nfs/dbraw/zinc/85/97/17/558859717.db2.gz FSZVUUNVNPYLGR-JOCHJYFZSA-N 1 0 404.901 4.354 40 0 HIABRO O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000019336356 558870096 /nfs/dbraw/zinc/87/00/96/558870096.db2.gz CUMFUDVRBIKRNU-DNVJHFABSA-N 1 0 421.541 4.413 40 0 HIABRO OC1(c2nccn2Cc2ccccc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(F)c1F)C2 ZINC000019372910 558880140 /nfs/dbraw/zinc/88/01/40/558880140.db2.gz GPDIJRNXLOZMKB-KEVCNVLYSA-N 1 0 423.507 4.329 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)c(F)c1 ZINC000019446654 558886345 /nfs/dbraw/zinc/88/63/45/558886345.db2.gz MOXYPZMOOYKHIW-NTKDMRAZSA-N 1 0 413.537 4.345 40 0 HIABRO CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019446651 558886349 /nfs/dbraw/zinc/88/63/49/558886349.db2.gz LITUWZJQYZIBIR-MBSDFSHPSA-N 1 0 401.501 4.475 40 0 HIABRO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449604 558888231 /nfs/dbraw/zinc/88/82/31/558888231.db2.gz IVVWESLIFLCLDV-SANMLTNESA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000019450638 558889098 /nfs/dbraw/zinc/88/90/98/558889098.db2.gz AMJFQYYXKJCSKK-MRXNPFEDSA-N 1 0 401.461 4.229 40 0 HIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cnc(-c3ccccc3C)nc2)CC1 ZINC000057822811 558890919 /nfs/dbraw/zinc/89/09/19/558890919.db2.gz CEFWOCGBFUZMKA-UHFFFAOYSA-N 1 0 418.516 4.219 40 0 HIABRO COc1ccc2nc(C[N@@H+](Cc3ccc(OC)c(OC)c3)C[C@H]3CCCO3)ccc2c1 ZINC000057811199 558891023 /nfs/dbraw/zinc/89/10/23/558891023.db2.gz KFKXXLRLHVGRPK-JOCHJYFZSA-N 1 0 422.525 4.442 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502843 558900175 /nfs/dbraw/zinc/90/01/75/558900175.db2.gz AKONHJNUXMJXGM-RUZDIDTESA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502940 558900335 /nfs/dbraw/zinc/90/03/35/558900335.db2.gz LNFLQZXLWMAIBI-XMMPIXPASA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503057 558900340 /nfs/dbraw/zinc/90/03/40/558900340.db2.gz KPELFOYWNJHPOG-DEOSSOPVSA-N 1 0 414.553 4.057 40 0 HIABRO CCc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2cnc(NC)nc2)CC1 ZINC000019522103 558903380 /nfs/dbraw/zinc/90/33/80/558903380.db2.gz ZHNGVFHFDBIYGI-UHFFFAOYSA-N 1 0 420.439 4.015 40 0 HIABRO CCn1cc([C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)c2ccc(F)cc2)c2ccncc21 ZINC000019524835 558906169 /nfs/dbraw/zinc/90/61/69/558906169.db2.gz BOQPWNZUCKYQNT-GOTSBHOMSA-N 1 0 402.473 4.101 40 0 HIABRO CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019528745 558909970 /nfs/dbraw/zinc/90/99/70/558909970.db2.gz JEDDUQREYXKXEI-SANMLTNESA-N 1 0 414.553 4.105 40 0 HIABRO CCOc1ccc(C[NH2+][C@@H]2CCCN(C(C)=O)[C@H]2c2ccc(C)s2)cc1OC ZINC000019533965 558913445 /nfs/dbraw/zinc/91/34/45/558913445.db2.gz RFSLORQKKPFVDZ-XMSQKQJNSA-N 1 0 402.560 4.306 40 0 HIABRO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)no2)cc1 ZINC000019555775 558918576 /nfs/dbraw/zinc/91/85/76/558918576.db2.gz PPVXSBQEPMXLJC-HXUWFJFHSA-N 1 0 411.546 4.373 40 0 HIABRO COc1ccc2nc(C[N@@H+]3CCC[C@H](c4nnc(-c5scnc5C)o4)C3)ccc2c1 ZINC000019562786 558923340 /nfs/dbraw/zinc/92/33/40/558923340.db2.gz GAOFFIRGSUMWDP-INIZCTEOSA-N 1 0 421.526 4.438 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(C(=O)NCc3cccc(F)c3)on2)C1 ZINC000019570303 558929237 /nfs/dbraw/zinc/92/92/37/558929237.db2.gz DWCZWNPJNAPJCU-GOSISDBHSA-N 1 0 423.488 4.132 40 0 HIABRO CNc1cc(C2CC[NH+](C/C=C/c3ccccc3OC)CC2)nc(-c2cccnc2)n1 ZINC000019592229 558943101 /nfs/dbraw/zinc/94/31/01/558943101.db2.gz FZJPORNRRPPTCW-RMKNXTFCSA-N 1 0 415.541 4.482 40 0 HIABRO O=c1c2snc(-c3ccc(F)cc3)c2ncn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000072347704 558944762 /nfs/dbraw/zinc/94/47/62/558944762.db2.gz QDZDJFWOPQIQJD-UHFFFAOYSA-N 1 0 420.513 4.496 40 0 HIABRO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC000072352331 558948496 /nfs/dbraw/zinc/94/84/96/558948496.db2.gz FUDVQSORWZVBFH-OAHLLOKOSA-N 1 0 415.584 4.032 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352546 558948915 /nfs/dbraw/zinc/94/89/15/558948915.db2.gz BDSIRFNZKHXXCJ-QGZVFWFLSA-N 1 0 402.523 4.194 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072359733 558955406 /nfs/dbraw/zinc/95/54/06/558955406.db2.gz NPEMVKWBZARPCD-KRWDZBQOSA-N 1 0 401.436 4.276 40 0 HIABRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2ccc(-c3ccc(N)nc3)cn2)CC1 ZINC000019688060 558957503 /nfs/dbraw/zinc/95/75/03/558957503.db2.gz UPQQLWXVIJTWNR-UHFFFAOYSA-N 1 0 404.562 4.500 40 0 HIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C1)CCC2 ZINC000019689155 558958612 /nfs/dbraw/zinc/95/86/12/558958612.db2.gz MMOMNAYTBBJQFL-NRFANRHFSA-N 1 0 402.542 4.359 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019689527 558959051 /nfs/dbraw/zinc/95/90/51/558959051.db2.gz NGKMMALLHYMWMI-FQEVSTJZSA-N 1 0 410.953 4.242 40 0 HIABRO CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CCC[NH+]3CCCCCC3)ccc12 ZINC000072374546 558962168 /nfs/dbraw/zinc/96/21/68/558962168.db2.gz DOQSOZMSJQFCGQ-HXUWFJFHSA-N 1 0 412.582 4.098 40 0 HIABRO COc1c(C)cccc1C(=O)N1CCC[C@H](c2cc(Nc3ncccn3)cc(C)[nH+]2)C1 ZINC000072375021 558963254 /nfs/dbraw/zinc/96/32/54/558963254.db2.gz SKFUHYGCHKQXEB-SFHVURJKSA-N 1 0 417.513 4.260 40 0 HIABRO COc1ccccc1CN(CC[NH+](C)C)Cc1c2cccnc2[nH]c1C(F)(F)F ZINC000072393711 558973006 /nfs/dbraw/zinc/97/30/06/558973006.db2.gz VGDVHZGLSXEBCF-UHFFFAOYSA-N 1 0 406.452 4.154 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394067 558973230 /nfs/dbraw/zinc/97/32/30/558973230.db2.gz ULKAZFKCCZPOHM-RUZDIDTESA-N 1 0 419.525 4.433 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394020 558973291 /nfs/dbraw/zinc/97/32/91/558973291.db2.gz KDQRGCOCUQFWMJ-DEOSSOPVSA-N 1 0 423.488 4.264 40 0 HIABRO C[C@@H](C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000072398642 558976184 /nfs/dbraw/zinc/97/61/84/558976184.db2.gz AOUGWCHXBKCHMN-XTJBDQBJSA-N 1 0 414.553 4.463 40 0 HIABRO CC(C)c1nccn1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000257277515 558997577 /nfs/dbraw/zinc/99/75/77/558997577.db2.gz NYGMLXKEYYFZOA-WKILWMFISA-N 1 0 413.547 4.208 40 0 HIABRO 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 559029707 /nfs/dbraw/zinc/02/97/07/559029707.db2.gz HJZQZXWJSWBFPO-FFGOWVMKSA-N 1 0 415.990 4.250 40 0 HIABRO COC(=O)[C@@H]1CC2(CCN1Cc1ccc(OC)cc1)CC[NH+](Cc1ccccc1)CC2 ZINC000091302599 559070937 /nfs/dbraw/zinc/07/09/37/559070937.db2.gz GNKDLIFKZKPCJI-DEOSSOPVSA-N 1 0 422.569 4.115 40 0 HIABRO COC(=O)[C@H]1CC2(CCN1Cc1ccc(OC)cc1)CC[NH+](Cc1ccccc1)CC2 ZINC000091302598 559070975 /nfs/dbraw/zinc/07/09/75/559070975.db2.gz GNKDLIFKZKPCJI-XMMPIXPASA-N 1 0 422.569 4.115 40 0 HIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053398 559093355 /nfs/dbraw/zinc/09/33/55/559093355.db2.gz VUMPXRMISYOTDE-FQEVSTJZSA-N 1 0 405.542 4.041 40 0 HIABRO Cc1ccc(C)c(NC(=O)c2ccc3ccc(N4CC[NH+](CC5CC5)CC4)n3c2)c1 ZINC000096155932 559100108 /nfs/dbraw/zinc/10/01/08/559100108.db2.gz PQZIDGWXFIVANK-UHFFFAOYSA-N 1 0 402.542 4.340 40 0 HIABRO O=C(CCc1cccnc1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000096245523 559105040 /nfs/dbraw/zinc/10/50/40/559105040.db2.gz QPQVVORLPNKCJO-WMPKNSHKSA-N 1 0 411.549 4.272 40 0 HIABRO CCN(CC[NH+](C)C)C(=O)c1cnc(-c2noc3cc(-c4ccncc4)ccc32)s1 ZINC000096266563 559107756 /nfs/dbraw/zinc/10/77/56/559107756.db2.gz NGJPAOLAAMPUIL-UHFFFAOYSA-N 1 0 421.526 4.037 40 0 HIABRO O=C1CO[C@@]2(CN1c1ccc(F)cc1)CCC[N@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000585261862 559109508 /nfs/dbraw/zinc/10/95/08/559109508.db2.gz ZPTADTNIOQUISO-DEOSSOPVSA-N 1 0 407.489 4.095 40 0 HIABRO COC(=O)[C@H]1C[C@H](Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)C[C@H]1[NH3+] ZINC000585262876 559111593 /nfs/dbraw/zinc/11/15/93/559111593.db2.gz NNCRCOLBZWUJNU-RYQLBKOJSA-N 1 0 408.527 4.018 40 0 HIABRO Fc1ccc(-c2cnc(Nc3cc(C[C@@H]4C[NH2+]CCOC4)ccn3)s2)c(F)c1 ZINC000585262990 559111605 /nfs/dbraw/zinc/11/16/05/559111605.db2.gz SPPSADFUQANOOP-CQSZACIVSA-N 1 0 402.470 4.005 40 0 HIABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)CC1 ZINC000585287264 559120881 /nfs/dbraw/zinc/12/08/81/559120881.db2.gz LSVPZPBXURYLBK-RDAXPCIFSA-N 1 0 413.961 4.261 40 0 HIABRO 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 559123356 /nfs/dbraw/zinc/12/33/56/559123356.db2.gz XAFYAAVSYZMNGM-CFFRYYMNSA-N 1 0 409.998 4.430 40 0 HIABRO CCOCC[n+]1c(C=CNc2ccccc2)n(CC)c2ccc(C(=O)OCC)cc21 ZINC000103974012 559157293 /nfs/dbraw/zinc/15/72/93/559157293.db2.gz HXPHYQSVXPZJJY-UHFFFAOYSA-O 1 0 408.522 4.245 40 0 HIABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216426 559169506 /nfs/dbraw/zinc/16/95/06/559169506.db2.gz OCXYLVNSLPICBI-HXUWFJFHSA-N 1 0 402.583 4.466 40 0 HIABRO C[N@@H+]1CCC[C@@H]1CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257227025 559283716 /nfs/dbraw/zinc/28/37/16/559283716.db2.gz FNHNWOPRSKTHMD-XMMPIXPASA-N 1 0 424.560 4.433 40 0 HIABRO Cc1noc(C)c1COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C)cc2C)cc1 ZINC000257251470 559284533 /nfs/dbraw/zinc/28/45/33/559284533.db2.gz JQXPYOOPMMNVAG-JOCHJYFZSA-N 1 0 424.541 4.359 40 0 HIABRO C[NH+](C)CCCNC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 ZINC000257298532 559285921 /nfs/dbraw/zinc/28/59/21/559285921.db2.gz RMDADUKMUUMXBF-UHFFFAOYSA-N 1 0 416.512 4.039 40 0 HIABRO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002399928 560559886 /nfs/dbraw/zinc/55/98/86/560559886.db2.gz LECWXRCCRNHFDU-JLCFBVMHSA-N 1 0 417.937 4.447 40 0 HIABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000005866683 560628445 /nfs/dbraw/zinc/62/84/45/560628445.db2.gz AHGXZAAZTWKFKD-UHFFFAOYSA-N 1 0 412.578 4.023 40 0 HIABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OCC(N)=O ZINC000007520751 560751475 /nfs/dbraw/zinc/75/14/75/560751475.db2.gz GPVPBMREEDTKPA-UHFFFAOYSA-N 1 0 415.372 4.016 40 0 HIABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OCC(N)=O ZINC000008253744 560753423 /nfs/dbraw/zinc/75/34/23/560753423.db2.gz ULQPFPIVKCFVGD-QLOAFGCXSA-N 1 0 420.981 4.441 40 0 HIABRO Cc1ccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)n2)cc1 ZINC000219240148 568488198 /nfs/dbraw/zinc/48/81/98/568488198.db2.gz KJXWRDQIIYUXGK-SFHVURJKSA-N 1 0 404.514 4.207 40 0 HIABRO CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219965160 568500513 /nfs/dbraw/zinc/50/05/13/568500513.db2.gz LDNUSUJTZOLPPH-UHFFFAOYSA-N 1 0 410.543 4.446 40 0 HIABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1C1CCCC1 ZINC000223264096 568543121 /nfs/dbraw/zinc/54/31/21/568543121.db2.gz LOISNFJSSSEYDH-VXKWHMMOSA-N 1 0 411.619 4.149 40 0 HIABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1C1CCCC1 ZINC000223264041 568543193 /nfs/dbraw/zinc/54/31/93/568543193.db2.gz LOISNFJSSSEYDH-FCHUYYIVSA-N 1 0 411.619 4.149 40 0 HIABRO Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000224594592 568586859 /nfs/dbraw/zinc/58/68/59/568586859.db2.gz ZTSMMBSIAYSOQE-FGZHOGPDSA-N 1 0 413.506 4.150 40 0 HIABRO S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225213469 568623820 /nfs/dbraw/zinc/62/38/20/568623820.db2.gz DBLJGAFPZYNEAG-UHFFFAOYSA-N 1 0 410.587 4.360 40 0 HIABRO CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904500 568684800 /nfs/dbraw/zinc/68/48/00/568684800.db2.gz CURIGRZCAHNOFQ-LJQANCHMSA-N 1 0 414.933 4.296 40 0 HIABRO CC(C)n1nccc1NC(=O)CN1[C@H](c2ccccc2)C[C@]2(C)[NH2+]CCCCC[C@H]12 ZINC000257225385 568783542 /nfs/dbraw/zinc/78/35/42/568783542.db2.gz FFYSDCMUDCEFKB-HFMPRLQTSA-N 1 0 409.578 4.140 40 0 HIABRO O=C(c1ccc2nc(-c3ccc(F)cc3)cn2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000257232025 568785304 /nfs/dbraw/zinc/78/53/04/568785304.db2.gz GJCJOAUGWFBTRL-UHFFFAOYSA-N 1 0 406.505 4.231 40 0 HIABRO CNc1cc(C(=O)N2CCC(c3cc(Nc4cccc(C)n4)cc(C)[nH+]3)CC2)ccn1 ZINC000257238727 568787186 /nfs/dbraw/zinc/78/71/86/568787186.db2.gz HMHFGXHNVIWYGN-UHFFFAOYSA-N 1 0 416.529 4.294 40 0 HIABRO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257244049 568788561 /nfs/dbraw/zinc/78/85/61/568788561.db2.gz IJQMPHBTJHIZGJ-KDURUIRLSA-N 1 0 407.562 4.189 40 0 HIABRO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CC[N@H+](Cc5ccccc5F)C4)ccc23)n1 ZINC000257313900 568808296 /nfs/dbraw/zinc/80/82/96/568808296.db2.gz UUPNGUMEDVEEMV-GOSISDBHSA-N 1 0 416.504 4.402 40 0 HIABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)CC1 ZINC000257334435 568814275 /nfs/dbraw/zinc/81/42/75/568814275.db2.gz YFWBDKRYXRFRMP-LJQANCHMSA-N 1 0 410.537 4.463 40 0 HIABRO CC(C)(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)[nH]n1 ZINC000257334946 568814574 /nfs/dbraw/zinc/81/45/74/568814574.db2.gz YHYWBHWBPQRAQA-ITJPDVSHSA-N 1 0 420.601 4.454 40 0 HIABRO CC(C)C[N@@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000306142270 568903757 /nfs/dbraw/zinc/90/37/57/568903757.db2.gz WVAJPMMZCYIEMD-NZQKXSOJSA-N 1 0 413.587 4.210 40 0 HIABRO CCn1cc(-c2cc(C(=O)N[C@@H](C)C[NH+]3CCC(C)CC3)c3ccccc3n2)c(C)n1 ZINC000002808403 568932362 /nfs/dbraw/zinc/93/23/62/568932362.db2.gz RALTZVGZHQZTEN-SFHVURJKSA-N 1 0 419.573 4.277 40 0 HIABRO 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 569058963 /nfs/dbraw/zinc/05/89/63/569058963.db2.gz JATBDXCMEJWEEG-UDKICSLYSA-N 1 0 408.571 4.173 40 0 HIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000009062754 569342228 /nfs/dbraw/zinc/34/22/28/569342228.db2.gz MHHPONAMEGBQCH-ROUUACIJSA-N 1 0 424.004 4.175 40 0 HIABRO O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063540 569342464 /nfs/dbraw/zinc/34/24/64/569342464.db2.gz ZMQMMDPVVGORPF-UHFFFAOYSA-N 1 0 423.532 4.303 40 0 HIABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 ZINC000012182130 569344654 /nfs/dbraw/zinc/34/46/54/569344654.db2.gz QJSFELWRKPQBHH-FHJLPGHOSA-N 1 0 405.542 4.020 40 0 HIABRO CCOc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ncccc1C)O[C@@H](C)C2 ZINC000019532404 569345701 /nfs/dbraw/zinc/34/57/01/569345701.db2.gz BFYBZZJOIJMOCL-QVRAPZSPSA-N 1 0 422.569 4.232 40 0 HIABRO CCn1c(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)nc2ccccc21 ZINC000019704535 569347711 /nfs/dbraw/zinc/34/77/11/569347711.db2.gz QLIIUPSJZWAARZ-QGZVFWFLSA-N 1 0 419.504 4.487 40 0 HIABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038855534 569351839 /nfs/dbraw/zinc/35/18/39/569351839.db2.gz ZSCCURZRPZVYGS-HKUYNNGSSA-N 1 0 411.521 4.205 40 0 HIABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856812 569352044 /nfs/dbraw/zinc/35/20/44/569352044.db2.gz RFTBGQRLBRTJPD-PZJWPPBQSA-N 1 0 414.521 4.322 40 0 HIABRO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1ccc(-n2cccn2)nc1 ZINC000141553291 569354845 /nfs/dbraw/zinc/35/48/45/569354845.db2.gz NNOBFBAZAGBVGY-NRFANRHFSA-N 1 0 423.948 4.268 40 0 HIABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(Cc1ccccc1-c1ccccc1F)C2 ZINC000019707114 569428911 /nfs/dbraw/zinc/42/89/11/569428911.db2.gz VKHIQYYCYDLXEG-QFIPXVFZSA-N 1 0 417.532 4.307 40 0 HIABRO CNc1cc(C[NH2+]C)nc([C@H]2CCCN2Cc2cccc(-c3cccc(OC)c3)c2)n1 ZINC000019760517 569429634 /nfs/dbraw/zinc/42/96/34/569429634.db2.gz XOLGIOYGXZHANL-HSZRJFAPSA-N 1 0 417.557 4.250 40 0 HIABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329064643 571306609 /nfs/dbraw/zinc/30/66/09/571306609.db2.gz XKLUXRAXVYPRCJ-UHFFFAOYSA-N 1 0 409.331 4.722 40 0 HIABRO CN(Cc1nc(C2(O)CC[NH+](CC3CCCCC3)CC2)cs1)Cc1cccnc1 ZINC000225475670 291263809 /nfs/dbraw/zinc/26/38/09/291263809.db2.gz PMKOHZSTGLPQIA-UHFFFAOYSA-N 1 0 414.619 4.034 40 0 biogenic,in-vitro HIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1)NCc1ccccc1 ZINC000015673663 291269358 /nfs/dbraw/zinc/26/93/58/291269358.db2.gz QFYMYLRFYQTPRN-VXKWHMMOSA-N 1 0 409.574 4.272 40 0 biogenic,in-vitro HIABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2)CC1 ZINC000006517642 132311448 /nfs/dbraw/zinc/31/14/48/132311448.db2.gz GRYAIVJBDJGEBW-UHFFFAOYSA-N 1 0 408.329 4.396 40 0 HIABRO Cc1nc(C2CC[NH+](C3CCOCC3)CC2)nc2c1CCCN2CCc1ccccc1 ZINC000019705662 132468926 /nfs/dbraw/zinc/46/89/26/132468926.db2.gz PHEDTSSQNVCDNB-UHFFFAOYSA-N 1 0 420.601 4.139 40 0 HIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)c(OC)c1 ZINC000044856819 522366378 /nfs/dbraw/zinc/36/63/78/522366378.db2.gz SBGQNCDUUVDTPR-QFIPXVFZSA-N 1 0 410.558 4.492 40 0 HIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2c[nH]cc3c(Cl)nnc2-3)s1 ZINC000043277897 524405258 /nfs/dbraw/zinc/40/52/58/524405258.db2.gz YGHIGDSGZQZLMZ-UHFFFAOYSA-N 1 0 400.939 4.270 40 0 HIABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C(C)C ZINC000044875484 525066279 /nfs/dbraw/zinc/06/62/79/525066279.db2.gz DLXLCLXKDSVNMM-UHFFFAOYSA-N 1 0 416.587 4.283 40 0 HIABRO COc1cccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044906792 525890167 /nfs/dbraw/zinc/89/01/67/525890167.db2.gz LCRCFCWCGTZDQT-FQEVSTJZSA-N 1 0 400.950 4.310 40 0 HIABRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462782 525926376 /nfs/dbraw/zinc/92/63/76/525926376.db2.gz PCGOSXFPOYMUCR-INIZCTEOSA-N 1 0 417.347 4.129 40 0 HIABRO O=C(NCCSCc1ccccc1F)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044909079 526373860 /nfs/dbraw/zinc/37/38/60/526373860.db2.gz ZKYLJTDRVZJPFD-SFHVURJKSA-N 1 0 404.526 4.226 40 0 HIABRO COC(=O)[C@@H]1C([NH2+]Cc2ccccc2)=CC(C)(C)[C@@H](C(=O)OC)[C@H]1c1ccccc1 ZINC000005495842 557657755 /nfs/dbraw/zinc/65/77/55/557657755.db2.gz FQYUUTFBJUKCNY-BHDDXSALSA-N 1 0 407.510 4.062 40 0 HIABRO COC(=O)[C@@H](N)CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000006482468 557704657 /nfs/dbraw/zinc/70/46/57/557704657.db2.gz ISIRXSKPVUCIGF-DEOSSOPVSA-N 1 0 402.538 4.239 40 0 HIABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743193 558263565 /nfs/dbraw/zinc/26/35/65/558263565.db2.gz WCHAJEGFUBLJIH-OAQYLSRUSA-N 1 0 408.521 4.483 40 0 HIABRO COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@@H+](C4CCCC4)C2)nc3C)cc1 ZINC000019744487 558264988 /nfs/dbraw/zinc/26/49/88/558264988.db2.gz GBGOMOLKFHERBX-LJQANCHMSA-N 1 0 420.557 4.005 40 0 HIABRO Cc1cccnc1CNC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748277 558267772 /nfs/dbraw/zinc/26/77/72/558267772.db2.gz JSZNOECNYLHMDP-UHFFFAOYSA-N 1 0 405.464 4.327 40 0 HIABRO Cc1nc([C@H]2CC[N@H+](Cc3cccnc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753154 558272277 /nfs/dbraw/zinc/27/22/77/558272277.db2.gz SYHOZNMPBNNDEE-KRWDZBQOSA-N 1 0 407.905 4.075 40 0 HIABRO Cc1nc([C@@H]2CCC[N@@H+]2CCc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019753335 558272821 /nfs/dbraw/zinc/27/28/21/558272821.db2.gz KULDPNQSGNYUMS-QHCPKHFHSA-N 1 0 400.526 4.095 40 0 HIABRO COc1ccc(-c2cccc(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)c2)cc1 ZINC000012185809 558345206 /nfs/dbraw/zinc/34/52/06/558345206.db2.gz QEVUNMZOJHSXAE-SFHVURJKSA-N 1 0 405.494 4.474 40 0 HIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cc(Cl)c(C)c(C)c2N)CC1 ZINC000012293084 558365880 /nfs/dbraw/zinc/36/58/80/558365880.db2.gz SPDBFYLZWSUAFG-UHFFFAOYSA-N 1 0 403.929 4.306 40 0 HIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000012292936 558366015 /nfs/dbraw/zinc/36/60/15/558366015.db2.gz CXKFTACTFIYTEU-UHFFFAOYSA-N 1 0 420.532 4.256 40 0 HIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000012292938 558366048 /nfs/dbraw/zinc/36/60/48/558366048.db2.gz FRGYCJKXOKMNFL-UHFFFAOYSA-N 1 0 420.532 4.256 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(Cl)c(Cl)c1 ZINC000012293627 558366715 /nfs/dbraw/zinc/36/67/15/558366715.db2.gz OEJXEPKENSVLMR-RTBURBONSA-N 1 0 408.325 4.378 40 0 HIABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293593 558366734 /nfs/dbraw/zinc/36/67/34/558366734.db2.gz HPGDXKTYZHAPDB-RPWUZVMVSA-N 1 0 419.521 4.233 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(Cl)c(Cl)c1 ZINC000012293631 558366779 /nfs/dbraw/zinc/36/67/79/558366779.db2.gz OEJXEPKENSVLMR-OALUTQOASA-N 1 0 408.325 4.378 40 0 HIABRO COCCn1c(C)c(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012328872 558383669 /nfs/dbraw/zinc/38/36/69/558383669.db2.gz MBJOCBGUOXLYFP-UHFFFAOYSA-N 1 0 408.542 4.088 40 0 HIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000039766647 558686063 /nfs/dbraw/zinc/68/60/63/558686063.db2.gz MSTQKTIYKCUVAF-UHFFFAOYSA-N 1 0 410.558 4.055 40 0 HIABRO O=C(Nc1ccc(I)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039755994 558687891 /nfs/dbraw/zinc/68/78/91/558687891.db2.gz NZOYRRHPPOHCAK-UHFFFAOYSA-N 1 0 420.294 4.142 40 0 HIABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1Cl ZINC000039759595 558689894 /nfs/dbraw/zinc/68/98/94/558689894.db2.gz HZFHNLRACJCJFC-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO Cc1cc(-c2snnc2[C@H]2CCCN(CC(C)(C)C[NH+]3CCC(C)CC3)C2)on1 ZINC000019120725 558843068 /nfs/dbraw/zinc/84/30/68/558843068.db2.gz JKIUFHSPEZEYNR-SFHVURJKSA-N 1 0 417.623 4.439 40 0 HIABRO Cc1cc2c(cc1C[NH+]1CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC1)OCO2 ZINC000019125534 558844581 /nfs/dbraw/zinc/84/45/81/558844581.db2.gz WFMUKNUEZXFZQS-VWLOTQADSA-N 1 0 423.557 4.234 40 0 HIABRO Cc1c2cc(C)ccc2oc1C[N@@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019220507 558851626 /nfs/dbraw/zinc/85/16/26/558851626.db2.gz AMMDQXBOCPJNEU-NBGIEHNGSA-N 1 0 403.526 4.473 40 0 HIABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000019236878 558856102 /nfs/dbraw/zinc/85/61/02/558856102.db2.gz UJKLBUALUSKYFG-DEOSSOPVSA-N 1 0 400.526 4.168 40 0 HIABRO COc1cc(C(=O)N2CCC(c3[nH+]c4c(C)cccn4c3NC(C)(C)C)CC2)ccn1 ZINC000019237598 558856786 /nfs/dbraw/zinc/85/67/86/558856786.db2.gz MXOZXBXABNBWBD-UHFFFAOYSA-N 1 0 421.545 4.277 40 0 HIABRO Cc1cnn(Cc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCC(C)CC3)o2)c1 ZINC000019240025 558858738 /nfs/dbraw/zinc/85/87/38/558858738.db2.gz ZLRFMWODSGHWNR-JOCHJYFZSA-N 1 0 406.530 4.036 40 0 HIABRO Cc1nc(C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285336 558859687 /nfs/dbraw/zinc/85/96/87/558859687.db2.gz HGTAIBCJMKCIGA-NRFANRHFSA-N 1 0 419.916 4.195 40 0 HIABRO Clc1ccc2nccc(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)c2c1 ZINC000019338608 558870803 /nfs/dbraw/zinc/87/08/03/558870803.db2.gz CSVVLAOQPCWUET-UHFFFAOYSA-N 1 0 410.949 4.008 40 0 HIABRO NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2ccccc2Cl)C1 ZINC000019348792 558874599 /nfs/dbraw/zinc/87/45/99/558874599.db2.gz XYQRVAKFGREIRQ-DEOSSOPVSA-N 1 0 405.929 4.322 40 0 HIABRO O=C(NCc1nc2ccccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000019375844 558882106 /nfs/dbraw/zinc/88/21/06/558882106.db2.gz UCZYYOWHRPKUKX-AWEZNQCLSA-N 1 0 403.313 4.008 40 0 HIABRO CC(C)[C@@H](CC(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1c[nH]c2ccccc21 ZINC000019445319 558885460 /nfs/dbraw/zinc/88/54/60/558885460.db2.gz SQFVXFQYNDLHLJ-JOCHJYFZSA-N 1 0 404.558 4.473 40 0 HIABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000057262913 558888030 /nfs/dbraw/zinc/88/80/30/558888030.db2.gz KDWAUVOHBYPVEY-UHFFFAOYSA-N 1 0 414.521 4.233 40 0 HIABRO C[C@@H](C[NH+]1CCC([C@H](NC(=O)c2ccccn2)c2ccccn2)CC1)c1ccccc1 ZINC000019456079 558891887 /nfs/dbraw/zinc/89/18/87/558891887.db2.gz VUFBHDOSMCVXAB-CPJSRVTESA-N 1 0 414.553 4.463 40 0 HIABRO CC[NH+]1CCC(n2nccc2NC(=O)Cn2c3ccc(F)cc3c3c2CCCC3)CC1 ZINC000019527056 558908132 /nfs/dbraw/zinc/90/81/32/558908132.db2.gz ITQRLWFXAIQWHM-UHFFFAOYSA-N 1 0 423.536 4.151 40 0 HIABRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1CO ZINC000019559350 558920783 /nfs/dbraw/zinc/92/07/83/558920783.db2.gz KWVAUZIQFHNHQW-SANMLTNESA-N 1 0 419.521 4.352 40 0 HIABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000072337781 558938041 /nfs/dbraw/zinc/93/80/41/558938041.db2.gz URKBOLXWLCKLDB-PXNSSMCTSA-N 1 0 410.518 4.061 40 0 HIABRO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)n1 ZINC000072348873 558945491 /nfs/dbraw/zinc/94/54/91/558945491.db2.gz IINRZIOSUNRVHM-IBGZPJMESA-N 1 0 407.558 4.386 40 0 HIABRO COc1ccc2c(C[N@@H+]3CC[C@@H](c4c5ccccc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072352281 558948479 /nfs/dbraw/zinc/94/84/79/558948479.db2.gz XXBWQFCSZKIBGD-OAHLLOKOSA-N 1 0 419.550 4.490 40 0 HIABRO CCn1cc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)c(C)n1 ZINC000019687567 558957288 /nfs/dbraw/zinc/95/72/88/558957288.db2.gz IPNHSBVNKXWDPV-UHFFFAOYSA-N 1 0 422.552 4.253 40 0 HIABRO COc1cc(C)ccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000072371720 558958652 /nfs/dbraw/zinc/95/86/52/558958652.db2.gz UCTXCYZHHAPMFI-GOSISDBHSA-N 1 0 409.505 4.477 40 0 HIABRO Fc1ccccc1CNc1n[nH]c2nc(C3CC[NH+](Cc4ccccn4)CC3)ccc12 ZINC000019695892 558964325 /nfs/dbraw/zinc/96/43/25/558964325.db2.gz YODDXAAKEURSKO-UHFFFAOYSA-N 1 0 416.504 4.484 40 0 HIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2cccc(Nc3nc(C)cc(C)n3)n2)CC1 ZINC000072375877 558964839 /nfs/dbraw/zinc/96/48/39/558964839.db2.gz AVUFGQLDFIIBGX-OAQYLSRUSA-N 1 0 422.577 4.018 40 0 HIABRO CCn1ncc(-c2cc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)on2)c1C ZINC000019719075 558982977 /nfs/dbraw/zinc/98/29/77/558982977.db2.gz VNJVRQFGKXJYQD-INIZCTEOSA-N 1 0 407.518 4.493 40 0 HIABRO Cc1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCCC3)cc1 ZINC000022408002 558990455 /nfs/dbraw/zinc/99/04/55/558990455.db2.gz IMBIMBDCIBYSIX-OAQYLSRUSA-N 1 0 400.340 4.408 40 0 HIABRO Cc1cc(C)cc(C(=O)N2CCC[C@]3(C2)C[N@H+](C)Cc2c(-c4ccccc4)ncn23)c1 ZINC000585107561 559028072 /nfs/dbraw/zinc/02/80/72/559028072.db2.gz ZUEDYBATCIIGEP-AREMUKBSSA-N 1 0 414.553 4.244 40 0 HIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053397 559093323 /nfs/dbraw/zinc/09/33/23/559093323.db2.gz VUMPXRMISYOTDE-HXUWFJFHSA-N 1 0 405.542 4.041 40 0 HIABRO C[N@@H+]1CCCN(C(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)CC1 ZINC000096154333 559098862 /nfs/dbraw/zinc/09/88/62/559098862.db2.gz IPEQYADROBGHTI-UHFFFAOYSA-N 1 0 420.444 4.067 40 0 HIABRO C[N@@H+]1CCCN(C(=O)c2cc3ccc(-c4ccc(F)cc4)cn3c2-c2cocn2)CC1 ZINC000096155498 559099751 /nfs/dbraw/zinc/09/97/51/559099751.db2.gz ODYGNMNSOOFJAA-UHFFFAOYSA-N 1 0 418.472 4.178 40 0 HIABRO C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CCN(Cc1ccc(Cl)c(F)c1)CC2 ZINC000096220897 559102017 /nfs/dbraw/zinc/10/20/17/559102017.db2.gz TZGLNCZXRXSJNU-IBGZPJMESA-N 1 0 403.929 4.130 40 0 HIABRO COc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000096263341 559107124 /nfs/dbraw/zinc/10/71/24/559107124.db2.gz SZXKAJPPJHESQE-UHFFFAOYSA-N 1 0 408.571 4.057 40 0 HIABRO Cc1noc(C)c1C[NH+]1CCC(c2cccc(-c3noc(C(F)(F)F)n3)n2)CC1 ZINC000585289438 559122400 /nfs/dbraw/zinc/12/24/00/559122400.db2.gz GGUJEYDAEBZGJB-UHFFFAOYSA-N 1 0 407.396 4.135 40 0 HIABRO COC(=O)c1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCOCc3ccccc3)C2)c1 ZINC000072360804 559185853 /nfs/dbraw/zinc/18/58/53/559185853.db2.gz NHPLOKCUFINGOF-QFIPXVFZSA-N 1 0 419.525 4.260 40 0 HIABRO Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)n1 ZINC000116181058 559189386 /nfs/dbraw/zinc/18/93/86/559189386.db2.gz HQPWRLVKTSHLAP-UHFFFAOYSA-N 1 0 402.542 4.074 40 0 HIABRO Cc1noc(C)c1COc1ccc(C[N@H+](C)C[C@@H](O)COC2CCCCC2)cc1 ZINC000257221152 559283683 /nfs/dbraw/zinc/28/36/83/559283683.db2.gz DNSIIBSDMPUXCP-HXUWFJFHSA-N 1 0 402.535 4.012 40 0 HIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3cccc(C)c3)cc2c1 ZINC000000884945 560540306 /nfs/dbraw/zinc/54/03/06/560540306.db2.gz BSWZDGCSWVGKFJ-UHFFFAOYSA-N 1 0 422.598 4.160 40 0 HIABRO Cc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000004161988 560602162 /nfs/dbraw/zinc/60/21/62/560602162.db2.gz JQHOVSJBWDOPML-UHFFFAOYSA-N 1 0 422.598 4.296 40 0 HIABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)cc12 ZINC000004231255 560602940 /nfs/dbraw/zinc/60/29/40/560602940.db2.gz GKEFDHXRBICLMI-UHFFFAOYSA-N 1 0 424.520 4.270 40 0 HIABRO C[NH+](C)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000004215040 560603933 /nfs/dbraw/zinc/60/39/33/560603933.db2.gz NETZSORBSALKOQ-UHFFFAOYSA-N 1 0 413.518 4.313 40 0 HIABRO CN(C)c1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005625556 560627873 /nfs/dbraw/zinc/62/78/73/560627873.db2.gz VEBDIYHHQKBAHZ-UHFFFAOYSA-N 1 0 411.937 4.100 40 0 HIABRO CCn1c2ccc(S(=O)(=O)C(F)(F)F)cc2[n+](CC)c1C=CNc1ccccc1 ZINC000100494423 560724829 /nfs/dbraw/zinc/72/48/29/560724829.db2.gz COJFQYWIEHIOKA-UHFFFAOYSA-O 1 0 424.468 4.345 40 0 HIABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Br ZINC000006548320 560744108 /nfs/dbraw/zinc/74/41/08/560744108.db2.gz BKOOUUBTOZAOMP-UHFFFAOYSA-N 1 0 418.360 4.172 40 0 HIABRO COCC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008469046 560755282 /nfs/dbraw/zinc/75/52/82/560755282.db2.gz PPHSIQICVISIMQ-UHFFFAOYSA-N 1 0 414.727 4.426 40 0 HIABRO COCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008469043 560755297 /nfs/dbraw/zinc/75/52/97/560755297.db2.gz KRJUWQFUWFGPKR-UHFFFAOYSA-N 1 0 414.727 4.426 40 0 HIABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1I ZINC000012362945 560779847 /nfs/dbraw/zinc/77/98/47/560779847.db2.gz GFRXZFCEZIIFSF-IHRRRGAJSA-N 1 0 401.288 4.099 40 0 HIABRO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1CC(C)C ZINC000021122883 568461650 /nfs/dbraw/zinc/46/16/50/568461650.db2.gz LOSUXNILJLZFDK-UHFFFAOYSA-N 1 0 416.569 4.188 40 0 HIABRO C[C@@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075822 568473933 /nfs/dbraw/zinc/47/39/33/568473933.db2.gz VIPSJBRHACFGJZ-CYBMUJFWSA-N 1 0 417.764 4.286 40 0 HIABRO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000219404513 568491276 /nfs/dbraw/zinc/49/12/76/568491276.db2.gz RKVDPNPOJRHWBG-UHFFFAOYSA-N 1 0 424.932 4.261 40 0 HIABRO Cc1ccc(N2CCC(C(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000219867240 568499442 /nfs/dbraw/zinc/49/94/42/568499442.db2.gz RBISWCFOTPWGIN-UHFFFAOYSA-N 1 0 407.558 4.323 40 0 HIABRO COc1ccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)n2)cc1 ZINC000219964248 568500450 /nfs/dbraw/zinc/50/04/50/568500450.db2.gz MCIGXKVEVFQAHO-UHFFFAOYSA-N 1 0 420.513 4.051 40 0 HIABRO Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222600801 568520145 /nfs/dbraw/zinc/52/01/45/568520145.db2.gz UFBWFOFJLRQXFK-HXUWFJFHSA-N 1 0 422.504 4.055 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223234795 568541926 /nfs/dbraw/zinc/54/19/26/568541926.db2.gz RBOOARUWPGBUFH-FCHUYYIVSA-N 1 0 411.619 4.313 40 0 HIABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccccc1 ZINC000223373930 568546774 /nfs/dbraw/zinc/54/67/74/568546774.db2.gz BRSGVWRBOVSGEM-GOTSBHOMSA-N 1 0 411.534 4.440 40 0 HIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000224537069 568584098 /nfs/dbraw/zinc/58/40/98/568584098.db2.gz XSHVWALXRZIEEA-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)cc2)n1 ZINC000224702818 568592995 /nfs/dbraw/zinc/59/29/95/568592995.db2.gz YMPTYSPCTUEBDT-UHFFFAOYSA-N 1 0 416.569 4.464 40 0 HIABRO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000225006875 568608582 /nfs/dbraw/zinc/60/85/82/568608582.db2.gz CXCXMTHMTKIFNW-UHFFFAOYSA-N 1 0 413.949 4.027 40 0 HIABRO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)ccc21 ZINC000225055597 568611510 /nfs/dbraw/zinc/61/15/10/568611510.db2.gz HMXJTDSDZZYPSX-UHFFFAOYSA-N 1 0 415.946 4.104 40 0 HIABRO CCn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)ccc21 ZINC000225111248 568615124 /nfs/dbraw/zinc/61/51/24/568615124.db2.gz LKFBWRGMVCXKOO-UHFFFAOYSA-N 1 0 413.518 4.073 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCC3(c4ccccc4)CCOCC3)CC2)cc1 ZINC000225635102 568658972 /nfs/dbraw/zinc/65/89/72/568658972.db2.gz MNOOHWATYRPQDV-UHFFFAOYSA-N 1 0 406.570 4.072 40 0 HIABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000225730491 568668790 /nfs/dbraw/zinc/66/87/90/568668790.db2.gz RRFSSSJMLUTWOL-HUUCEWRRSA-N 1 0 411.999 4.171 40 0 HIABRO CC(C)Oc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225773450 568673399 /nfs/dbraw/zinc/67/33/99/568673399.db2.gz CPEMINCVNDGPCW-UHFFFAOYSA-N 1 0 413.587 4.433 40 0 HIABRO Cc1ccc(N2C[C@](O)(c3ccc(Br)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408143 568767557 /nfs/dbraw/zinc/76/75/57/568767557.db2.gz ATQYXAICRSYWPP-NRFANRHFSA-N 1 0 400.340 4.408 40 0 HIABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4[nH]cnc4C)CC3)CO[C@H]21 ZINC000257202133 568776741 /nfs/dbraw/zinc/77/67/41/568776741.db2.gz AKQBVKXFDPFIJU-GHTZIAJQSA-N 1 0 411.546 4.258 40 0 HIABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257207064 568778159 /nfs/dbraw/zinc/77/81/59/568778159.db2.gz BGEUTIICEXHNDD-FQEVSTJZSA-N 1 0 418.516 4.403 40 0 HIABRO COc1cc(C)ccc1C[NH+]1CCC(c2cncc(Nc3nc(C)cc(C)n3)n2)CC1 ZINC000257234068 568785987 /nfs/dbraw/zinc/78/59/87/568785987.db2.gz GRXUMMYRCGBRCW-UHFFFAOYSA-N 1 0 418.545 4.324 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257267543 568795000 /nfs/dbraw/zinc/79/50/00/568795000.db2.gz MHSJAUXIDAGDGV-JOCHJYFZSA-N 1 0 406.574 4.028 40 0 HIABRO CC(C)C(=O)N[C@]1(C)C[C@H](c2cccc(OCC[NH+](C)C)c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257323958 568811406 /nfs/dbraw/zinc/81/14/06/568811406.db2.gz WMOSWQDQNJMFKV-BOLWVKMUSA-N 1 0 416.606 4.424 40 0 HIABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCC3CC[NH+](C)CC3)c1O)OC2(C)C ZINC000257330373 568813195 /nfs/dbraw/zinc/81/31/95/568813195.db2.gz XOCIOTFFMKYBSB-ATZDWAIDSA-N 1 0 400.563 4.155 40 0 HIABRO c1csc(C[N@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306126399 568889155 /nfs/dbraw/zinc/88/91/55/568889155.db2.gz DUMMLRMWNWBANN-QFIPXVFZSA-N 1 0 421.614 4.265 40 0 HIABRO O=C(Nc1ccccc1)[C@@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)CC[C@H]2[N@@H+]1CC1CC1 ZINC000306139405 568901443 /nfs/dbraw/zinc/90/14/43/568901443.db2.gz SWNIJFMKEYVFFV-PTUXOGIPSA-N 1 0 418.541 4.032 40 0 HIABRO COc1ncccc1C[NH+]1CCC2(CC1)Oc1ccccc1-c1ncn(CC(C)C)c12 ZINC000306142653 568904282 /nfs/dbraw/zinc/90/42/82/568904282.db2.gz XFPJJBGJKBGHOV-UHFFFAOYSA-N 1 0 418.541 4.493 40 0 HIABRO COc1ncccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306143878 568905065 /nfs/dbraw/zinc/90/50/65/568905065.db2.gz YPGFWVZLQCFGTG-QGZVFWFLSA-N 1 0 405.527 4.241 40 0 HIABRO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000027530883 568915987 /nfs/dbraw/zinc/91/59/87/568915987.db2.gz KHCLZOAZTNKUDK-GTMAMOSYSA-N 1 0 423.041 4.440 40 0 HIABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)n1 ZINC000329004429 568972229 /nfs/dbraw/zinc/97/22/29/568972229.db2.gz KSQNBBFOZQCKHE-UHFFFAOYSA-N 1 0 402.329 4.011 40 0 HIABRO Cc1ccc(OCC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000028295330 569005069 /nfs/dbraw/zinc/00/50/69/569005069.db2.gz HRYVJCATQXBQAM-NRFANRHFSA-N 1 0 422.491 4.274 40 0 HIABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000033889648 569027764 /nfs/dbraw/zinc/02/77/64/569027764.db2.gz XYHSURUPEXRGRV-TUUKDFBESA-N 1 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CCC[N@@H+]1CCC[C@](O)(c2nc(C)c(CCOc3ccc(F)c(F)c3)s2)CC1 ZINC000019705441 569348004 /nfs/dbraw/zinc/34/80/04/569348004.db2.gz UCJSGSZMQOBXSV-OAQYLSRUSA-N 1 0 410.530 4.435 40 0 HIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cnn4c3nc(C)cc4C)cc2)C1 ZINC000019711820 569348133 /nfs/dbraw/zinc/34/81/33/569348133.db2.gz ULZXMKNFOLZJKK-IRLDBZIGSA-N 1 0 421.545 4.160 40 0 HIABRO COc1ccc(OCCc2sc([C@]3(O)CCC[N@H+](CC4CC4)CC3)nc2C)cc1 ZINC000019738678 569348549 /nfs/dbraw/zinc/34/85/49/569348549.db2.gz JCZXOHUKIGSKCC-QHCPKHFHSA-N 1 0 416.587 4.165 40 0 HIABRO COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000033661684 569350872 /nfs/dbraw/zinc/35/08/72/569350872.db2.gz WYVQJEXWTHQOGP-BQYQJAHWSA-N 1 0 420.340 4.406 40 0 HIABRO CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000106377183 569352630 /nfs/dbraw/zinc/35/26/30/569352630.db2.gz KSNXBYMLWXWFIK-JLHYYAGUSA-N 1 0 422.598 4.088 40 0 HIABRO CNc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709873 569428869 /nfs/dbraw/zinc/42/88/69/569428869.db2.gz OBMWMZVMVHRDSV-QFIPXVFZSA-N 1 0 415.541 4.272 40 0 HIABRO Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328970366 571306573 /nfs/dbraw/zinc/30/65/73/571306573.db2.gz DKECKOXFJKYUEY-UHFFFAOYSA-N 1 0 414.431 4.858 40 0 HIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC2CC2)Cc2cn(Cc3cccnc3)c3cccc1c23 ZINC000049171571 291261739 /nfs/dbraw/zinc/26/17/39/291261739.db2.gz BOEZBANSXMYOIR-GOTSBHOMSA-N 1 0 416.569 4.212 40 0 biogenic,in-vitro HIABRO CC1(C)[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C[C@@H]1[NH2+]C1CCC1 ZINC000067890174 291262119 /nfs/dbraw/zinc/26/21/19/291262119.db2.gz JHEMOFPTIMMLPA-DVECYGJZSA-N 1 0 408.590 4.096 40 0 biogenic,in-vitro HIABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccccc5F)c43)C2)cc1 ZINC000008300314 291266328 /nfs/dbraw/zinc/26/63/28/291266328.db2.gz PSQJECJVHQOCRO-RBUKOAKNSA-N 1 0 404.485 4.282 40 0 biogenic,in-vitro HIABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CC2CCCCC2)C1)C1CCCCC1 ZINC000004236216 291269667 /nfs/dbraw/zinc/26/96/67/291269667.db2.gz UWYARILCNRFTDU-PZJWPPBQSA-N 1 0 411.590 4.367 40 0 biogenic,in-vitro HIABRO CC[NH+]1CCN(c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)CC1 ZINC000006517635 132311437 /nfs/dbraw/zinc/31/14/37/132311437.db2.gz OISVSZUZRGZKFD-UHFFFAOYSA-N 1 0 401.938 4.116 40 0 HIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000044856823 522365803 /nfs/dbraw/zinc/36/58/03/522365803.db2.gz HUGAJFRWLZHJHO-QFIPXVFZSA-N 1 0 410.558 4.492 40 0 HIABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856809 522496932 /nfs/dbraw/zinc/49/69/32/522496932.db2.gz RFTBGQRLBRTJPD-CTNGQTDRSA-N 1 0 414.521 4.322 40 0 HIABRO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1OC ZINC000044845943 524066222 /nfs/dbraw/zinc/06/62/22/524066222.db2.gz JQYQBTYACCMMQE-UHFFFAOYSA-N 1 0 416.521 4.192 40 0 HIABRO COc1ccc(-c2cc3nc(C)c(C)c(NCC(C)(C)C[NH+](C)C)n3n2)cc1OC ZINC000004980210 557620017 /nfs/dbraw/zinc/62/00/17/557620017.db2.gz OUMMMMIDPXIZRJ-UHFFFAOYSA-N 1 0 411.550 4.030 40 0 HIABRO Cn1nnnc1SCCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000007541445 557746306 /nfs/dbraw/zinc/74/63/06/557746306.db2.gz ODFALJYHXSKNLB-UHFFFAOYSA-N 1 0 419.554 4.214 40 0 HIABRO Nc1ncnc2nc([C@@H]3CCC[N@H+](CCCc4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000019743259 558263823 /nfs/dbraw/zinc/26/38/23/558263823.db2.gz WNQTVFCSSCSBNS-MRXNPFEDSA-N 1 0 415.463 4.438 40 0 HIABRO Cc1nc([C@H]2CCC[N@@H+](C3CCCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019744501 558264925 /nfs/dbraw/zinc/26/49/25/558264925.db2.gz QQGUKIXWPNTMNC-NRFANRHFSA-N 1 0 418.585 4.429 40 0 HIABRO COc1cc(C)ccc1C[NH+]1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 ZINC000019744682 558265251 /nfs/dbraw/zinc/26/52/51/558265251.db2.gz UZXQWZGTYIYADL-UHFFFAOYSA-N 1 0 419.451 4.256 40 0 HIABRO Cc1nn(C)cc1[C@@H](C)NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748249 558267722 /nfs/dbraw/zinc/26/77/22/558267722.db2.gz OBSRGKNQGZKFDZ-OAHLLOKOSA-N 1 0 422.495 4.227 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](CC3CCCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019753116 558272219 /nfs/dbraw/zinc/27/22/19/558272219.db2.gz BNPHORCMKFPLJF-QFIPXVFZSA-N 1 0 406.574 4.475 40 0 HIABRO CCOc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ncccc1C)CCC2 ZINC000012089091 558323536 /nfs/dbraw/zinc/32/35/36/558323536.db2.gz ZBNJQEGLWJJURY-XZQOPNAISA-N 1 0 406.570 4.397 40 0 HIABRO Cc1nc2cc(C3CCOCC3)nn2c(NC[C@@H](c2ccccc2F)[NH+](C)C)c1C ZINC000012154607 558339834 /nfs/dbraw/zinc/33/98/34/558339834.db2.gz GDMZJTJOTXGXPJ-NRFANRHFSA-N 1 0 411.525 4.094 40 0 HIABRO O=C(Cc1csc(-c2ccccc2F)n1)N1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000012238131 558358895 /nfs/dbraw/zinc/35/88/95/558358895.db2.gz OAECBZPHBAHICE-SFHVURJKSA-N 1 0 401.551 4.359 40 0 HIABRO COc1cccc(C2([NH2+]Cc3cn(CC(=O)NC4CC4)c4ccccc34)CCCC2)c1 ZINC000012292792 558365929 /nfs/dbraw/zinc/36/59/29/558365929.db2.gz AFGLYBATYMXSSU-UHFFFAOYSA-N 1 0 417.553 4.488 40 0 HIABRO COc1ccc2[nH]c(C[NH+]3CCC(NC(C)=O)(c4ccccc4F)CC3)c(C)c2c1 ZINC000012292932 558366055 /nfs/dbraw/zinc/36/60/55/558366055.db2.gz LXMPJBQCHZAJPQ-UHFFFAOYSA-N 1 0 409.505 4.251 40 0 HIABRO COc1ccc2[nH]c(C)c(C[NH+]3CCC(NC(C)=O)(c4ccccc4F)CC3)c2c1 ZINC000012328475 558383704 /nfs/dbraw/zinc/38/37/04/558383704.db2.gz RUPFWOSFNSLWMM-UHFFFAOYSA-N 1 0 409.505 4.251 40 0 HIABRO COc1ccc2c(c1)C=C(C[NH+]1CCC(O)(c3ccc(C(F)(F)F)cc3)CC1)CO2 ZINC000012328398 558383744 /nfs/dbraw/zinc/38/37/44/558383744.db2.gz RLEDPXLNBQWCAC-UHFFFAOYSA-N 1 0 419.443 4.473 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc(Cl)cc1 ZINC000012329789 558384899 /nfs/dbraw/zinc/38/48/99/558384899.db2.gz OATZSZXAZZJPSJ-RBUKOAKNSA-N 1 0 408.325 4.378 40 0 HIABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)c1 ZINC000012330114 558385123 /nfs/dbraw/zinc/38/51/23/558385123.db2.gz KBPODRPHQQLCPU-RTWAWAEBSA-N 1 0 417.933 4.041 40 0 HIABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC(C)(C)C1 ZINC000022467489 558491139 /nfs/dbraw/zinc/49/11/39/558491139.db2.gz XXQPFLGJWKRVOP-VLCRHTCISA-N 1 0 409.014 4.050 40 0 HIABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)no2)cn1 ZINC000013227838 558527177 /nfs/dbraw/zinc/52/71/77/558527177.db2.gz VADFOJOIKPEUHB-UHFFFAOYSA-N 1 0 403.408 4.233 40 0 HIABRO O=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000013983163 558610666 /nfs/dbraw/zinc/61/06/66/558610666.db2.gz ANCFKYJMXNMYNZ-UHFFFAOYSA-N 1 0 408.473 4.030 40 0 in-vitro HIABRO O=C(NCc1ccco1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039752451 558687041 /nfs/dbraw/zinc/68/70/41/558687041.db2.gz VJZVCQCDWBRJFI-UHFFFAOYSA-N 1 0 417.509 4.060 40 0 HIABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039755713 558687470 /nfs/dbraw/zinc/68/74/70/558687470.db2.gz NNOJHIQQGLLXOI-QGZVFWFLSA-N 1 0 411.521 4.205 40 0 HIABRO Cc1ccc(Cl)cc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000039757888 558689427 /nfs/dbraw/zinc/68/94/27/558689427.db2.gz ALVNOCNUPINQHZ-UHFFFAOYSA-N 1 0 411.977 4.209 40 0 HIABRO Cc1cc2oc(=O)cc(C)c2cc1OC[C@H](O)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000016284593 558783810 /nfs/dbraw/zinc/78/38/10/558783810.db2.gz FEIZKKUCBKCPBG-MRXNPFEDSA-N 1 0 422.308 4.246 40 0 HIABRO Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](C)C[NH+](C(C)C)C(C)C)c12 ZINC000013642132 558831045 /nfs/dbraw/zinc/83/10/45/558831045.db2.gz QXXNLYGKGBVYCT-AWEZNQCLSA-N 1 0 400.548 4.497 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(F)c1 ZINC000019081883 558839987 /nfs/dbraw/zinc/83/99/87/558839987.db2.gz XLJLBMJSIJCIHN-XMSQKQJNSA-N 1 0 413.537 4.345 40 0 HIABRO CSc1ncc(C[N@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cn1 ZINC000019120498 558842896 /nfs/dbraw/zinc/84/28/96/558842896.db2.gz HCUJQACLZKXZJP-PZJWPPBQSA-N 1 0 409.559 4.304 40 0 HIABRO COc1cc(C[NH2+][C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)cc(OC)c1 ZINC000019217348 558850641 /nfs/dbraw/zinc/85/06/41/558850641.db2.gz BFOUNPIJALPSLI-IFMALSPDSA-N 1 0 414.571 4.306 40 0 HIABRO Cc1ncc(C[NH+]2CCC(c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)CC2)cn1 ZINC000019287212 558860845 /nfs/dbraw/zinc/86/08/45/558860845.db2.gz OPVXJHSKGSYFCF-UHFFFAOYSA-N 1 0 418.467 4.350 40 0 HIABRO Cn1ncc(Cl)c1C(=O)NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000019288560 558861459 /nfs/dbraw/zinc/86/14/59/558861459.db2.gz BLITXXJQFHMVCV-FQEVSTJZSA-N 1 0 414.981 4.242 40 0 HIABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(-c3cccc(F)c3)c1)C2 ZINC000019291405 558863746 /nfs/dbraw/zinc/86/37/46/558863746.db2.gz MACXQOXSMUFQQI-OFFJZUQKSA-N 1 0 405.517 4.346 40 0 HIABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000019400572 558883216 /nfs/dbraw/zinc/88/32/16/558883216.db2.gz AZGMSVIINPKKRZ-FDDCHVKYSA-N 1 0 422.479 4.138 40 0 HIABRO CC(C)[C@H](CC(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1c[nH]c2ccccc21 ZINC000019445321 558885545 /nfs/dbraw/zinc/88/55/45/558885545.db2.gz SQFVXFQYNDLHLJ-QFIPXVFZSA-N 1 0 404.558 4.473 40 0 HIABRO C[C@H](NC(=O)C1CC[NH+](C2CCN(C)CC2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000019458512 558892615 /nfs/dbraw/zinc/89/26/15/558892615.db2.gz QQNDVAGKVIJBJJ-HNNXBMFYSA-N 1 0 403.954 4.070 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503346 558900663 /nfs/dbraw/zinc/90/06/63/558900663.db2.gz YMTPBNDIYPESME-HSZRJFAPSA-N 1 0 414.553 4.057 40 0 HIABRO CCCOc1c(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cccc1OC ZINC000019503800 558900809 /nfs/dbraw/zinc/90/08/09/558900809.db2.gz QPCFYWQBYTZYCI-UHFFFAOYSA-N 1 0 423.517 4.012 40 0 HIABRO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019528744 558909944 /nfs/dbraw/zinc/90/99/44/558909944.db2.gz JEDDUQREYXKXEI-AREMUKBSSA-N 1 0 414.553 4.105 40 0 HIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](CCc2ccccc2)C1 ZINC000019529122 558910879 /nfs/dbraw/zinc/91/08/79/558910879.db2.gz AHDQQUVTOGMZHN-HHHXNRCGSA-N 1 0 413.565 4.362 40 0 HIABRO CCOc1ccc(C[NH+]2CCC(c3cc(NC)nc(-c4cccnc4)n3)CC2)cc1 ZINC000019533206 558913006 /nfs/dbraw/zinc/91/30/06/558913006.db2.gz BSRCKRYITLZQME-UHFFFAOYSA-N 1 0 403.530 4.359 40 0 HIABRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1ccc(OCCO)cc1)CC2 ZINC000019550689 558915171 /nfs/dbraw/zinc/91/51/71/558915171.db2.gz NDDLWNJPGNWCAB-SANMLTNESA-N 1 0 419.521 4.223 40 0 HIABRO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4ccncc4)C[C@@H]32)cc1 ZINC000019557785 558919754 /nfs/dbraw/zinc/91/97/54/558919754.db2.gz HAKVDULPCFQNEA-UBFVSLLYSA-N 1 0 419.569 4.097 40 0 HIABRO COc1ccc2nc(C[NH+]3CCC(c4nnc(-c5cccnc5)o4)CC3)ccc2c1 ZINC000019563683 558923724 /nfs/dbraw/zinc/92/37/24/558923724.db2.gz SNSJMDFDUOPICP-UHFFFAOYSA-N 1 0 401.470 4.068 40 0 HIABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)C3CCCC3)c3ccccn3)CC2)c1 ZINC000019564835 558924897 /nfs/dbraw/zinc/92/48/97/558924897.db2.gz BPNUBKAVRSQEKF-DEOSSOPVSA-N 1 0 407.558 4.350 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccccc2)C1 ZINC000019579546 558935121 /nfs/dbraw/zinc/93/51/21/558935121.db2.gz VWCJWCITUNUEAV-VWLOTQADSA-N 1 0 403.526 4.255 40 0 HIABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072344786 558941117 /nfs/dbraw/zinc/94/11/17/558941117.db2.gz ISVOKWBJQRYLAA-FQEVSTJZSA-N 1 0 406.505 4.201 40 0 HIABRO COc1cccc(CC[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000072351296 558947707 /nfs/dbraw/zinc/94/77/07/558947707.db2.gz WMHJNFNJQGRZOZ-LJQANCHMSA-N 1 0 411.546 4.168 40 0 HIABRO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC000072352330 558948595 /nfs/dbraw/zinc/94/85/95/558948595.db2.gz FUDVQSORWZVBFH-HNNXBMFYSA-N 1 0 415.584 4.032 40 0 HIABRO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000072353756 558950912 /nfs/dbraw/zinc/95/09/12/558950912.db2.gz GIJDPOOHJHUNMM-GOSISDBHSA-N 1 0 412.541 4.301 40 0 HIABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000072354235 558951642 /nfs/dbraw/zinc/95/16/42/558951642.db2.gz WQKRPTWKIUUXGT-DEOSSOPVSA-N 1 0 416.569 4.339 40 0 HIABRO COc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4cccc(OC)c4)C3)[nH]n2)cc1 ZINC000072371256 558957913 /nfs/dbraw/zinc/95/79/13/558957913.db2.gz RKWIUFLVNBDPDD-IBGZPJMESA-N 1 0 407.514 4.038 40 0 HIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C1)CO2 ZINC000019688706 558958071 /nfs/dbraw/zinc/95/80/71/558958071.db2.gz VNNVJIKMUVUHCS-HXUWFJFHSA-N 1 0 416.525 4.146 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019689529 558959036 /nfs/dbraw/zinc/95/90/36/558959036.db2.gz NGKMMALLHYMWMI-HXUWFJFHSA-N 1 0 410.953 4.242 40 0 HIABRO CC[C@H](C(=O)N1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1)[NH+]1CCCC1 ZINC000072374354 558961993 /nfs/dbraw/zinc/96/19/93/558961993.db2.gz QXZKMUCJUCUBQP-JOCHJYFZSA-N 1 0 407.562 4.109 40 0 HIABRO COc1ccc2c(C[N@@H+]3CCC[C@H]3c3cncc(Nc4ccccn4)n3)cn(C)c2c1 ZINC000072376408 558965660 /nfs/dbraw/zinc/96/56/60/558965660.db2.gz CTSPLHJDSMGYGF-NRFANRHFSA-N 1 0 414.513 4.453 40 0 HIABRO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ccccn1 ZINC000072380080 558968062 /nfs/dbraw/zinc/96/80/62/558968062.db2.gz GFBGYQDRVFJYRE-LJQANCHMSA-N 1 0 423.582 4.006 40 0 HIABRO COc1cccc(C[N@@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1OC ZINC000072397156 558975642 /nfs/dbraw/zinc/97/56/42/558975642.db2.gz UBWBJGYYHRDTTP-AWEZNQCLSA-N 1 0 420.435 4.063 40 0 HIABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1 ZINC000072398566 558975899 /nfs/dbraw/zinc/97/58/99/558975899.db2.gz BJRBZQWKHCRGEZ-URXFXBBRSA-N 1 0 407.558 4.348 40 0 HIABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1 ZINC000072398567 558975964 /nfs/dbraw/zinc/97/59/64/558975964.db2.gz BJRBZQWKHCRGEZ-QPPBQGQZSA-N 1 0 407.558 4.348 40 0 HIABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000585099884 559024560 /nfs/dbraw/zinc/02/45/60/559024560.db2.gz QFLDCSZPPBJGCV-QFIPXVFZSA-N 1 0 403.473 4.117 40 0 HIABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CCN3C)s1 ZINC000096036965 559090742 /nfs/dbraw/zinc/09/07/42/559090742.db2.gz XFDNISMZJMDXPD-UHFFFAOYSA-N 1 0 410.562 4.496 40 0 HIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053393 559093327 /nfs/dbraw/zinc/09/33/27/559093327.db2.gz ILWTZNSYZQYDKY-LJQANCHMSA-N 1 0 405.542 4.041 40 0 HIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053428 559093402 /nfs/dbraw/zinc/09/34/02/559093402.db2.gz ANYBVPKSBOQGHK-LJQANCHMSA-N 1 0 408.517 4.395 40 0 HIABRO O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000585261331 559108807 /nfs/dbraw/zinc/10/88/07/559108807.db2.gz NWZQTNMDFMMOIP-ZONZVBGPSA-N 1 0 400.566 4.413 40 0 HIABRO C[C@@H]([NH3+])C(=O)N1CCC(c2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1 ZINC000585263150 559111851 /nfs/dbraw/zinc/11/18/51/559111851.db2.gz OUCRJNSYPJHVQC-OAHLLOKOSA-N 1 0 407.543 4.002 40 0 HIABRO CC(=O)Nc1ccc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1 ZINC000585270533 559116305 /nfs/dbraw/zinc/11/63/05/559116305.db2.gz LWSOUWCJJDLGPK-UHFFFAOYSA-N 1 0 402.922 4.013 40 0 HIABRO O[C@]1(COc2ccc(F)c(F)c2)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585282629 559120166 /nfs/dbraw/zinc/12/01/66/559120166.db2.gz LVYOJHIVUAEVFS-SKPFHBQLSA-N 1 0 417.496 4.133 40 0 HIABRO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113971091 559185213 /nfs/dbraw/zinc/18/52/13/559185213.db2.gz MAZHKQBKUYBFKO-NRFANRHFSA-N 1 0 401.938 4.196 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3cccc(NC(C)=O)c3)C2)cc1 ZINC000072358405 559186010 /nfs/dbraw/zinc/18/60/10/559186010.db2.gz GBSOHUSGUFPATI-NRFANRHFSA-N 1 0 416.525 4.490 40 0 HIABRO O=C(NCCC[NH+]1CCCC1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257268580 559284998 /nfs/dbraw/zinc/28/49/98/559284998.db2.gz MMHJGRCOBVLMBP-UHFFFAOYSA-N 1 0 424.560 4.434 40 0 HIABRO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2OC)C1 ZINC000257288172 559285526 /nfs/dbraw/zinc/28/55/26/559285526.db2.gz PTEKYIBBFATKLI-AREMUKBSSA-N 1 0 415.537 4.037 40 0 HIABRO COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006297134 560741539 /nfs/dbraw/zinc/74/15/39/560741539.db2.gz CCPYFSMNFTXQBY-UHFFFAOYSA-N 1 0 403.935 4.071 40 0 HIABRO COc1ccc(-c2c[n+](CC(=O)O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)c3n2CCC3)cc1 ZINC000011582364 560772337 /nfs/dbraw/zinc/77/23/37/560772337.db2.gz OCSYXDGHNWBLSC-ZEYPLWLESA-N 1 0 411.566 4.401 40 0 HIABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(I)c1 ZINC000017083310 560862372 /nfs/dbraw/zinc/86/23/72/560862372.db2.gz FWHHJYIUVONIIB-UHFFFAOYSA-N 1 0 406.267 4.139 40 0 HIABRO Cc1ccc(F)cc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022587107 568487194 /nfs/dbraw/zinc/48/71/94/568487194.db2.gz GMZPDSQSMKGXKN-UHFFFAOYSA-N 1 0 417.528 4.480 40 0 HIABRO Cc1ccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)n2)cc1 ZINC000219240077 568488382 /nfs/dbraw/zinc/48/83/82/568488382.db2.gz KJXWRDQIIYUXGK-GOSISDBHSA-N 1 0 404.514 4.207 40 0 HIABRO Cc1ccc(C)c(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)c1 ZINC000057671598 568495280 /nfs/dbraw/zinc/49/52/80/568495280.db2.gz PWTXQUFIUUUVMI-QFIPXVFZSA-N 1 0 424.618 4.309 40 0 HIABRO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773451 568497725 /nfs/dbraw/zinc/49/77/25/568497725.db2.gz HKGRMKDWBQAIJM-UWJYYQICSA-N 1 0 417.575 4.030 40 0 HIABRO COc1cccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)n2)c1 ZINC000219964189 568500444 /nfs/dbraw/zinc/50/04/44/568500444.db2.gz GLWKKVCLLCPOQN-UHFFFAOYSA-N 1 0 420.513 4.051 40 0 HIABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccccc1 ZINC000223373811 568546809 /nfs/dbraw/zinc/54/68/09/568546809.db2.gz BRSGVWRBOVSGEM-XZOQPEGZSA-N 1 0 411.534 4.440 40 0 HIABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000223948584 568564128 /nfs/dbraw/zinc/56/41/28/568564128.db2.gz XQHWMWPWOIXCBC-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000224027910 568566857 /nfs/dbraw/zinc/56/68/57/568566857.db2.gz ALAHBHDMHKNBII-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000224594494 568586909 /nfs/dbraw/zinc/58/69/09/568586909.db2.gz ZTSMMBSIAYSOQE-YADHBBJMSA-N 1 0 413.506 4.150 40 0 HIABRO COc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(OC)c1OC ZINC000224807917 568597868 /nfs/dbraw/zinc/59/78/68/568597868.db2.gz LKSULEGKNJAVHB-WYMLVPIESA-N 1 0 424.541 4.028 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3nnc(SCC(C)C)s3)CC2)c1 ZINC000225714836 568667043 /nfs/dbraw/zinc/66/70/43/568667043.db2.gz NZBSWHICROAYOR-UHFFFAOYSA-N 1 0 404.605 4.445 40 0 HIABRO CCOc1ccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408702 568767543 /nfs/dbraw/zinc/76/75/43/568767543.db2.gz VLVIQBXEMWFLFX-HSZRJFAPSA-N 1 0 417.476 4.337 40 0 HIABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc(Cc2cccc(F)c2)nc1 ZINC000257206279 568777833 /nfs/dbraw/zinc/77/78/33/568777833.db2.gz BCRNDMWPXKHXMO-ONTNHIFESA-N 1 0 407.533 4.289 40 0 HIABRO CNc1cc(C(=O)N2CCC(c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)CC2)ccn1 ZINC000257211965 568779614 /nfs/dbraw/zinc/77/96/14/568779614.db2.gz CBHOXGGVJRCIAH-UHFFFAOYSA-N 1 0 420.492 4.124 40 0 HIABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCC(C)(C)C[NH+](C)C)c1O)OC2(C)C ZINC000257216179 568780900 /nfs/dbraw/zinc/78/09/00/568780900.db2.gz CTLULRFJZVBINC-KBAYOESNSA-N 1 0 402.579 4.401 40 0 HIABRO Cc1cccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@@H]2Cc1ccccc1 ZINC000257235860 568786436 /nfs/dbraw/zinc/78/64/36/568786436.db2.gz GZWCHEFTWSTWEN-KDHQNNTKSA-N 1 0 403.570 4.479 40 0 HIABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257238766 568787342 /nfs/dbraw/zinc/78/73/42/568787342.db2.gz HMLBLIRFFZEDLE-QFIPXVFZSA-N 1 0 420.601 4.383 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCC(C)CC4)on3)C2)c1 ZINC000257256781 568792000 /nfs/dbraw/zinc/79/20/00/568792000.db2.gz KMWMKWHADDSCOM-SKINQDTJSA-N 1 0 411.546 4.371 40 0 HIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)[nH+]1 ZINC000257285917 568800172 /nfs/dbraw/zinc/80/01/72/568800172.db2.gz PJKWRUHWEUIYRR-QGZVFWFLSA-N 1 0 405.477 4.270 40 0 HIABRO COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)C[NH+]3CCCCCC3)o2)c1 ZINC000257294987 568803013 /nfs/dbraw/zinc/80/30/13/568803013.db2.gz QWNJBPQFOAIVMU-JOCHJYFZSA-N 1 0 411.546 4.204 40 0 HIABRO Cc1nc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4cnc(C)nc4C)C3)c2)sc1C ZINC000257315418 568808944 /nfs/dbraw/zinc/80/89/44/568808944.db2.gz VBFVWAXYFFWDAQ-KRWDZBQOSA-N 1 0 422.558 4.244 40 0 HIABRO COc1ncc(C[NH+]2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cn1 ZINC000257329576 568812995 /nfs/dbraw/zinc/81/29/95/568812995.db2.gz XKNNDWYWCQEERI-PZJWPPBQSA-N 1 0 409.530 4.016 40 0 HIABRO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCC[C@]12C[N@H+](CC(C)C)CCO2 ZINC000306134275 568896316 /nfs/dbraw/zinc/89/63/16/568896316.db2.gz NHMXAHPZZVWBPZ-YKSBVNFPSA-N 1 0 411.546 4.049 40 0 HIABRO Cc1ccc(C[N@H+]2CCN(C)[C@@H](c3ncn4cc(-c5cccnc5)ccc34)C2)s1 ZINC000306134356 568896402 /nfs/dbraw/zinc/89/64/02/568896402.db2.gz NKTSNOOEQYKYLU-JOCHJYFZSA-N 1 0 403.555 4.255 40 0 HIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccco5)C4)nn3c2)c1OC ZINC000306141533 568903027 /nfs/dbraw/zinc/90/30/27/568903027.db2.gz VZIFZKSAAHMDEO-GOSISDBHSA-N 1 0 418.497 4.386 40 0 HIABRO Cc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144385 568905830 /nfs/dbraw/zinc/90/58/30/568905830.db2.gz ZDSRTJYVWFOHFL-WIOPSUGQSA-N 1 0 406.574 4.001 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000306144626 568906134 /nfs/dbraw/zinc/90/61/34/568906134.db2.gz ZKJFJXVTUWJDOA-RDGATRHJSA-N 1 0 424.589 4.089 40 0 HIABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000328981758 568971176 /nfs/dbraw/zinc/97/11/76/568971176.db2.gz GVWMUNXIJDAKQU-UHFFFAOYSA-N 1 0 402.329 4.011 40 0 HIABRO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C)c(C)sc2NC(=O)c2ccccc2)C1 ZINC000005644590 569255943 /nfs/dbraw/zinc/25/59/43/569255943.db2.gz RKUCZMWRYMFALR-SFHVURJKSA-N 1 0 400.544 4.392 40 0 HIABRO Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc43)CC1)[C@@H](C)CCC2 ZINC000067665353 569283243 /nfs/dbraw/zinc/28/32/43/569283243.db2.gz OGYZXUJCZWNPPY-HNNXBMFYSA-N 1 0 424.520 4.151 40 0 in-vitro HIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@@H](NC(=O)[C@H]2CCCO2)c2ccccn2)C1 ZINC000248166473 569316606 /nfs/dbraw/zinc/31/66/06/569316606.db2.gz ONUZYKQENOTARR-CAJNAZHISA-N 1 0 419.569 4.233 40 0 HIABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)OCO2 ZINC000019125549 569345283 /nfs/dbraw/zinc/34/52/83/569345283.db2.gz RYMUHRDIRPYMPK-WZONZLPQSA-N 1 0 423.557 4.234 40 0 HIABRO CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+]1Cc1ccncc1 ZINC000019696551 569346805 /nfs/dbraw/zinc/34/68/05/569346805.db2.gz HDESBDZBYBNQFA-RUZDIDTESA-N 1 0 418.541 4.182 40 0 HIABRO COc1ccc(OCc2sc([C@@]3(O)CCC[N@H+](CC4CC4)CC3)nc2C)cc1 ZINC000019705166 569347830 /nfs/dbraw/zinc/34/78/30/569347830.db2.gz VZLQLXPZTJUNFU-JOCHJYFZSA-N 1 0 402.560 4.123 40 0 HIABRO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3[N@@H+]2Cc2ccc3[nH]ccc3c2)cc1 ZINC000019711733 569348215 /nfs/dbraw/zinc/34/82/15/569348215.db2.gz XJCONVHSHAHQJR-IEZKXTBUSA-N 1 0 417.553 4.421 40 0 HIABRO Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044852457 569351963 /nfs/dbraw/zinc/35/19/63/569351963.db2.gz CPXDLIPEINJTDC-QUCCMNQESA-N 1 0 400.950 4.444 40 0 HIABRO COc1ccc(C[NH+]2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)cc1 ZINC000019700335 569428721 /nfs/dbraw/zinc/42/87/21/569428721.db2.gz ZSAAVMOKUBWROP-UHFFFAOYSA-N 1 0 415.537 4.067 40 0 HIABRO Cc1cnc(Nc2cncc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2)s1 ZINC000585262652 571309511 /nfs/dbraw/zinc/30/95/11/571309511.db2.gz OVQOKDDVQMJZRL-UHFFFAOYSA-N 1 0 416.554 4.913 40 0 HIABRO O=C(Nc1cccc2ccccc21)O[C@@H]1CO[C@@H]2[C@@H]([NH2+]CC3CCCCC3)CO[C@H]12 ZINC000004236483 291269815 /nfs/dbraw/zinc/26/98/15/291269815.db2.gz ITFBKGGPBUAYKP-WBADGQHESA-N 1 0 410.514 4.093 40 0 biogenic,in-vitro HIABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373138 520288729 /nfs/dbraw/zinc/28/87/29/520288729.db2.gz VNSBGHPPIMJHIE-QHCPKHFHSA-N 1 0 411.586 4.210 40 0 HIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000044856843 522364489 /nfs/dbraw/zinc/36/44/89/522364489.db2.gz NUCMROAKSFOTEG-NRFANRHFSA-N 1 0 414.521 4.322 40 0 HIABRO COc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044906991 523936524 /nfs/dbraw/zinc/93/65/24/523936524.db2.gz NWTGZNPIHOBRFE-HXUWFJFHSA-N 1 0 400.950 4.310 40 0 HIABRO COc1ccccc1OCC[NH2+]C[C@@H](O)CCOc1cccc2[nH]c3ccccc3c21 ZINC000072318307 524677278 /nfs/dbraw/zinc/67/72/78/524677278.db2.gz OHYHNEODRHJYSS-SFHVURJKSA-N 1 0 420.509 4.128 40 0 HIABRO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044852871 525427801 /nfs/dbraw/zinc/42/78/01/525427801.db2.gz VPAKCTPQDZBXSR-GOSISDBHSA-N 1 0 400.950 4.444 40 0 HIABRO O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044938242 527223587 /nfs/dbraw/zinc/22/35/87/527223587.db2.gz OMIWIMKFPXGALM-GOSISDBHSA-N 1 0 411.933 4.318 40 0 HIABRO O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044938239 527224117 /nfs/dbraw/zinc/22/41/17/527224117.db2.gz OMIWIMKFPXGALM-SFHVURJKSA-N 1 0 411.933 4.318 40 0 HIABRO Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C[N@@H+](C)C3CCCCC3)cc2c1 ZINC000000891971 557112312 /nfs/dbraw/zinc/11/23/12/557112312.db2.gz PDYFZOSNDDAYQO-UHFFFAOYSA-N 1 0 421.541 4.223 40 0 HIABRO CC1(C)[C@]2(C)CC[C@@]1(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1nc3ccccc3nc12 ZINC000004165099 557522920 /nfs/dbraw/zinc/52/29/20/557522920.db2.gz BBWOWTAOZSYKDB-FTJBHMTQSA-N 1 0 420.601 4.384 40 0 HIABRO CC[NH+](CC)CCOC(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000004832268 557604039 /nfs/dbraw/zinc/60/40/39/557604039.db2.gz ZFDCJPYUWLOPGQ-UHFFFAOYSA-N 1 0 403.548 4.314 40 0 HIABRO COC(=O)[C@@H]1C([NH2+]Cc2ccccc2)=CC(C)(C)[C@@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC000005495844 557657800 /nfs/dbraw/zinc/65/78/00/557657800.db2.gz FQYUUTFBJUKCNY-YPAWHYETSA-N 1 0 407.510 4.062 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000006458281 557703606 /nfs/dbraw/zinc/70/36/06/557703606.db2.gz ZTMSRWLYQRFLAO-DEOSSOPVSA-N 1 0 406.570 4.389 40 0 HIABRO COC1(C[S@](=O)c2ccccc2)CC[NH+](CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000007999076 557769445 /nfs/dbraw/zinc/76/94/45/557769445.db2.gz BANYJBHWTOJQDU-GDLZYMKVSA-N 1 0 414.546 4.138 40 0 in-vitro HIABRO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1 ZINC000008470305 557791671 /nfs/dbraw/zinc/79/16/71/557791671.db2.gz APHSOOIBXNUGID-KRWDZBQOSA-N 1 0 406.320 4.305 40 0 HIABRO CCCn1ncc2ccc([C@H]3CCC[N@H+](Cc4c(C)nc5cc(C)ccn54)C3)nc21 ZINC000019742502 558262979 /nfs/dbraw/zinc/26/29/79/558262979.db2.gz LHSUSQIYFLWZBI-FQEVSTJZSA-N 1 0 402.546 4.485 40 0 HIABRO CC(C)(C)Nc1c(C2CCN(C(=O)CCc3ccno3)CC2)[nH+]c2ccc(F)cn21 ZINC000012087505 558322359 /nfs/dbraw/zinc/32/23/59/558322359.db2.gz RVDGSTFDEYNYLS-UHFFFAOYSA-N 1 0 413.497 4.011 40 0 HIABRO CCn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)c2ccccc21 ZINC000012293270 558366525 /nfs/dbraw/zinc/36/65/25/558366525.db2.gz LLNNRNHIOAMFEN-RPWUZVMVSA-N 1 0 420.553 4.354 40 0 HIABRO COc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc1Cn1nc(C)cc1C ZINC000012328309 558383430 /nfs/dbraw/zinc/38/34/30/558383430.db2.gz RQQUBOKBVMBHAU-UHFFFAOYSA-N 1 0 419.569 4.349 40 0 HIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cc(Cl)c(C)c(C)c2N)CC1 ZINC000012328907 558383696 /nfs/dbraw/zinc/38/36/96/558383696.db2.gz XGVWIKWOVLXZMD-UHFFFAOYSA-N 1 0 403.929 4.306 40 0 HIABRO Cc1cc2c(cc1Cl)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012329636 558384264 /nfs/dbraw/zinc/38/42/64/558384264.db2.gz FQKAESZAVQLTOE-WOJBJXKFSA-N 1 0 405.897 4.172 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)c1 ZINC000012329752 558384539 /nfs/dbraw/zinc/38/45/39/558384539.db2.gz MBEYJADLCDYADA-NQIIRXRSSA-N 1 0 418.459 4.451 40 0 HIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000022913717 558520542 /nfs/dbraw/zinc/52/05/42/558520542.db2.gz LDOKFAAHBCIWKS-JOCHJYFZSA-N 1 0 403.530 4.150 40 0 HIABRO CC[C@H](NCCC[NH+](C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 ZINC000026522292 558662174 /nfs/dbraw/zinc/66/21/74/558662174.db2.gz VQTVKAGNCMNFBX-FQEVSTJZSA-N 1 0 412.965 4.091 40 0 HIABRO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030941973 558745534 /nfs/dbraw/zinc/74/55/34/558745534.db2.gz VCGRPHOXRDRAGR-UHFFFAOYSA-N 1 0 423.557 4.081 40 0 HIABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000038834462 558817623 /nfs/dbraw/zinc/81/76/23/558817623.db2.gz XVGUOUVSDDEGDR-GOSISDBHSA-N 1 0 400.906 4.367 40 0 HIABRO Cc1ccc2[nH]cc([C@H](O)C[NH+]3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)c2c1 ZINC000019220533 558851623 /nfs/dbraw/zinc/85/16/23/558851623.db2.gz SBFPZZMTQJTCHC-HSZRJFAPSA-N 1 0 404.510 4.318 40 0 HIABRO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]32)c1 ZINC000019235243 558854343 /nfs/dbraw/zinc/85/43/43/558854343.db2.gz UDUGSONFTAEPSX-UBFVSLLYSA-N 1 0 403.570 4.397 40 0 HIABRO COc1c(C)cccc1C[N@@H+]1CC[C@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 ZINC000019235913 558854971 /nfs/dbraw/zinc/85/49/71/558854971.db2.gz XZSQHAVFXHEFDN-HNNXBMFYSA-N 1 0 404.436 4.363 40 0 HIABRO COc1c(C)cccc1C[N@@H+]1CC[C@@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 ZINC000019235912 558854980 /nfs/dbraw/zinc/85/49/80/558854980.db2.gz XZSQHAVFXHEFDN-OAHLLOKOSA-N 1 0 404.436 4.363 40 0 HIABRO c1[nH]nc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371074 558879034 /nfs/dbraw/zinc/87/90/34/558879034.db2.gz KDOCGIQKKTYYDL-OAQYLSRUSA-N 1 0 416.573 4.279 40 0 HIABRO O=C(NCc1ccccn1)c1cc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)no1 ZINC000019401938 558883747 /nfs/dbraw/zinc/88/37/47/558883747.db2.gz YPRMGOBQFJLGMZ-UHFFFAOYSA-N 1 0 410.905 4.033 40 0 HIABRO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)ccc2O1 ZINC000019498011 558896741 /nfs/dbraw/zinc/89/67/41/558896741.db2.gz LPJCWKWWKSWTOG-QRWLVFNGSA-N 1 0 421.459 4.046 40 0 HIABRO CCc1ncc(C[N@@H+]2CCC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523364 558904746 /nfs/dbraw/zinc/90/47/46/558904746.db2.gz YPVUQEGZTVVTEJ-AREMUKBSSA-N 1 0 414.553 4.016 40 0 HIABRO CCN(CC)c1cc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)nc(-c2cnccn2)n1 ZINC000019526487 558907648 /nfs/dbraw/zinc/90/76/48/558907648.db2.gz PAIAJKRYUUNCFQ-LJQANCHMSA-N 1 0 406.578 4.316 40 0 HIABRO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019528747 558909988 /nfs/dbraw/zinc/90/99/88/558909988.db2.gz ZMIJDFOIXHNISD-VWLOTQADSA-N 1 0 418.541 4.006 40 0 HIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019529160 558910841 /nfs/dbraw/zinc/91/08/41/558910841.db2.gz QGFRUGZDCMMAFN-XMMPIXPASA-N 1 0 405.567 4.381 40 0 HIABRO Cc1nc2ccccn2c1C[NH2+][C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019555029 558917892 /nfs/dbraw/zinc/91/78/92/558917892.db2.gz HTOMSEUXKYNWFU-LJQANCHMSA-N 1 0 407.905 4.174 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)Nc4ccccc4OC)on3)C2)cc1 ZINC000019555186 558918349 /nfs/dbraw/zinc/91/83/49/558918349.db2.gz FAKFWUYJRUDOOT-SFHVURJKSA-N 1 0 421.497 4.324 40 0 HIABRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000019560982 558921898 /nfs/dbraw/zinc/92/18/98/558921898.db2.gz XSRHKVJSMSRPDN-UHFFFAOYSA-N 1 0 410.518 4.047 40 0 HIABRO Cc1sc2ncn(CCC(=O)Nc3ccccc3C[NH+]3CCCCC3)c(=O)c2c1C ZINC000019561590 558922362 /nfs/dbraw/zinc/92/23/62/558922362.db2.gz CORPHGUIYJPXHP-UHFFFAOYSA-N 1 0 424.570 4.090 40 0 HIABRO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+](CC4CCCCC4)C3)no2)c1 ZINC000019565571 558925455 /nfs/dbraw/zinc/92/54/55/558925455.db2.gz LMYPENSFIBVOEW-FQEVSTJZSA-N 1 0 411.546 4.373 40 0 HIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C2CCC2)c2ccccn2)C1 ZINC000072330570 558934973 /nfs/dbraw/zinc/93/49/73/558934973.db2.gz DFYFKYDNKVXCGW-RDPSFJRHSA-N 1 0 407.558 4.268 40 0 HIABRO Cc1noc(C)c1Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000019581062 558936684 /nfs/dbraw/zinc/93/66/84/558936684.db2.gz YPSHUNQUGQCWOV-UHFFFAOYSA-N 1 0 407.514 4.391 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c(F)c1 ZINC000019584578 558938635 /nfs/dbraw/zinc/93/86/35/558938635.db2.gz AHIWRZPWKNYFIJ-IBGZPJMESA-N 1 0 421.520 4.132 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345547 558942006 /nfs/dbraw/zinc/94/20/06/558942006.db2.gz AABPBTGUUAQFAZ-OAQYLSRUSA-N 1 0 418.516 4.234 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352537 558948961 /nfs/dbraw/zinc/94/89/61/558948961.db2.gz RXCNTQHRWDWSPC-HNNXBMFYSA-N 1 0 404.539 4.137 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000072359065 558954697 /nfs/dbraw/zinc/95/46/97/558954697.db2.gz SVYQFQNTLKRGIJ-KRWDZBQOSA-N 1 0 401.436 4.276 40 0 HIABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1cccnc1N(C)C ZINC000072370492 558956975 /nfs/dbraw/zinc/95/69/75/558956975.db2.gz JYWXEGMVOJQALV-GOSISDBHSA-N 1 0 422.598 4.319 40 0 HIABRO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000072370670 558957228 /nfs/dbraw/zinc/95/72/28/558957228.db2.gz ILQUHHNTPKQDAB-GOSISDBHSA-N 1 0 400.588 4.475 40 0 HIABRO COc1ccc(NC(=O)CN2CCC[C@H]2c2cc(Nc3ccccn3)cc(C)[nH+]2)cc1 ZINC000072372480 558959934 /nfs/dbraw/zinc/95/99/34/558959934.db2.gz RZZWDCAGPFKTHD-QFIPXVFZSA-N 1 0 417.513 4.313 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000072376674 558966191 /nfs/dbraw/zinc/96/61/91/558966191.db2.gz SJFQZDRYIPGKCN-GOSISDBHSA-N 1 0 420.536 4.165 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072394044 558973267 /nfs/dbraw/zinc/97/32/67/558973267.db2.gz VSOIJYRAHTZYTN-VWLOTQADSA-N 1 0 419.525 4.433 40 0 HIABRO COc1cccc(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c1OC1CCCC1 ZINC000072395310 558974091 /nfs/dbraw/zinc/97/40/91/558974091.db2.gz RBWSMNWIWNEKIG-BORKOYIJSA-N 1 0 422.569 4.450 40 0 HIABRO C[C@H](C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000072398643 558976268 /nfs/dbraw/zinc/97/62/68/558976268.db2.gz AOUGWCHXBKCHMN-KJWPAHLWSA-N 1 0 414.553 4.463 40 0 HIABRO Cc1cc(C)n(Cc2cc(C(=O)NC(C)(C)C[NH+]3CCCCC3)c3ccccc3n2)n1 ZINC000019716456 558978273 /nfs/dbraw/zinc/97/82/73/558978273.db2.gz IMAHZZFCIOVMQO-UHFFFAOYSA-N 1 0 419.573 4.091 40 0 HIABRO CCn1cnc2sc(C(=O)Nc3cccc(C[NH+]4CCC(C)CC4)c3)c(C)c2c1=O ZINC000019717376 558980074 /nfs/dbraw/zinc/98/00/74/558980074.db2.gz KVZQPSRIWBMJHP-UHFFFAOYSA-N 1 0 424.570 4.271 40 0 HIABRO CCn1ncc(-c2cc(C(=O)Nc3cccc(C[NH+]4CCC(C)CC4)c3)on2)c1C ZINC000019719077 558982962 /nfs/dbraw/zinc/98/29/62/558982962.db2.gz MPTUSDKPWDLIPJ-UHFFFAOYSA-N 1 0 407.518 4.351 40 0 HIABRO O=C(Cc1cccc(O)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100293 559023886 /nfs/dbraw/zinc/02/38/86/559023886.db2.gz AMVTVFBEEUSDEH-XMMPIXPASA-N 1 0 414.496 4.260 40 0 HIABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](Cc2ccc(F)cc2F)CC3)cs1 ZINC000585100585 559024206 /nfs/dbraw/zinc/02/42/06/559024206.db2.gz ORJUDPVWHYZPIK-OAQYLSRUSA-N 1 0 405.514 4.277 40 0 HIABRO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccccc3)CC2)nc2ccccn12 ZINC000585099962 559024530 /nfs/dbraw/zinc/02/45/30/559024530.db2.gz BJGIWFGGJXOPCC-RUZDIDTESA-N 1 0 402.542 4.190 40 0 HIABRO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@@H+]4C[C@@H]4CCCO4)CC3)oc21 ZINC000585100854 559025531 /nfs/dbraw/zinc/02/55/31/559025531.db2.gz ZAXHYZFIEGOQGA-CYFREDJKSA-N 1 0 412.530 4.081 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000585165366 559066400 /nfs/dbraw/zinc/06/64/00/559066400.db2.gz IFXMMDTXWUIWGZ-OAQYLSRUSA-N 1 0 418.541 4.070 40 0 HIABRO NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CC[NH+](Cc2ccncc2)CC1 ZINC000585166466 559066910 /nfs/dbraw/zinc/06/69/10/559066910.db2.gz MZGBUNRGPAEABO-UHFFFAOYSA-N 1 0 403.501 4.198 40 0 HIABRO COc1cccc(-c2cccc(CC3(C(=O)NCCCC[NH+](C)C)CCOCC3)c2)c1 ZINC000585169163 559067860 /nfs/dbraw/zinc/06/78/60/559067860.db2.gz CRVDEDUIKSRKMN-UHFFFAOYSA-N 1 0 424.585 4.160 40 0 HIABRO CC(C)(C)OC(=O)N1CC[C@@](O)(/C=C/c2ccccc2)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000095951398 559089387 /nfs/dbraw/zinc/08/93/87/559089387.db2.gz IHDCXJQPIBTLQZ-XTCZTEAPSA-N 1 0 408.542 4.230 40 0 HIABRO COc1ccc(-c2nc(C3CC[NH+](Cc4ccccn4)CC3)cc3c2ncn3C)cc1 ZINC000096155612 559099709 /nfs/dbraw/zinc/09/97/09/559099709.db2.gz ISGRGCMUFQLVNP-UHFFFAOYSA-N 1 0 413.525 4.419 40 0 HIABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccncc3)CC1)nc2NCc1ccccc1 ZINC000096155580 559099747 /nfs/dbraw/zinc/09/97/47/559099747.db2.gz QYCZCQMLFGGULO-UHFFFAOYSA-N 1 0 412.541 4.355 40 0 HIABRO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000585261972 559109638 /nfs/dbraw/zinc/10/96/38/559109638.db2.gz XAXHMZXDCSSXRH-VWLOTQADSA-N 1 0 403.501 4.168 40 0 HIABRO Fc1ccc(-c2cnc(Nc3cc(C[C@H]4C[NH2+]CCOC4)ccn3)s2)cc1F ZINC000585262986 559111618 /nfs/dbraw/zinc/11/16/18/559111618.db2.gz SOFDEYOBHYSHJB-AWEZNQCLSA-N 1 0 402.470 4.005 40 0 HIABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)c(C)c1 ZINC000257278816 559285228 /nfs/dbraw/zinc/28/52/28/559285228.db2.gz ODTYTOSCYMLFIT-HSZRJFAPSA-N 1 0 406.526 4.149 40 0 HIABRO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](CC4CCCC4)C[C@H]2N(C)C3=O)c1 ZINC000514289308 560032989 /nfs/dbraw/zinc/03/29/89/560032989.db2.gz HTMFWSHKBCBWIA-VWNXMTODSA-N 1 0 406.526 4.070 40 0 biogenic,in-vitro HIABRO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002427278 560559994 /nfs/dbraw/zinc/55/99/94/560559994.db2.gz CUOHIKCCHYWTHC-MCMMXHMISA-N 1 0 417.937 4.447 40 0 HIABRO Cc1cc2cc(CN(CC[NH+]3CCCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1C ZINC000004231220 560602997 /nfs/dbraw/zinc/60/29/97/560602997.db2.gz VXUNKIBEMGMZTG-UHFFFAOYSA-N 1 0 418.541 4.275 40 0 HIABRO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408991258 560662254 /nfs/dbraw/zinc/66/22/54/560662254.db2.gz PYAXGPYCVDDLEV-NRFANRHFSA-N 1 0 423.538 4.204 40 0 HIABRO COc1ccccc1NC(=[NH2+])Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000009938420 560760695 /nfs/dbraw/zinc/76/06/95/560760695.db2.gz GFQQTNBEVQCAGE-UHFFFAOYSA-N 1 0 415.906 4.183 40 0 HIABRO Cc1nc(NC(=[NH2+])Nc2cccc(C(F)(F)F)c2)[nH]c(=O)c1Cc1ccccc1 ZINC000017082155 560862051 /nfs/dbraw/zinc/86/20/51/560862051.db2.gz DFCUBBFBCWSUER-UHFFFAOYSA-N 1 0 401.392 4.147 40 0 HIABRO CC(C)CCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019446984 560873107 /nfs/dbraw/zinc/87/31/07/560873107.db2.gz UMHZRXDCIOEYTF-OAQYLSRUSA-N 1 0 417.001 4.022 40 0 HIABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1c2cc(C)cnc2[nH]c1C(C)C ZINC000057773802 568497302 /nfs/dbraw/zinc/49/73/02/568497302.db2.gz IAWCCBDOCIWOIM-GOSISDBHSA-N 1 0 411.546 4.265 40 0 HIABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)OCCO2 ZINC000222732621 568525052 /nfs/dbraw/zinc/52/50/52/568525052.db2.gz GWRWFYIAYFQKHY-VQIMIIECSA-N 1 0 414.933 4.201 40 0 HIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223283103 568544123 /nfs/dbraw/zinc/54/41/23/568544123.db2.gz UPQSLZJURPDHBY-SFTDATJTSA-N 1 0 410.518 4.015 40 0 HIABRO CC(C)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000224287088 568576592 /nfs/dbraw/zinc/57/65/92/568576592.db2.gz XQCJJRGCGDRWCS-UHFFFAOYSA-N 1 0 408.568 4.276 40 0 HIABRO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224536082 568583986 /nfs/dbraw/zinc/58/39/86/568583986.db2.gz RXTQJVOHYWMTOM-UHFFFAOYSA-N 1 0 407.341 4.401 40 0 HIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C)c1 ZINC000224535061 568584016 /nfs/dbraw/zinc/58/40/16/568584016.db2.gz GGCYBJFUAWWGJK-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C ZINC000224537212 568584115 /nfs/dbraw/zinc/58/41/15/568584115.db2.gz VTIATAQXFKZAHA-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1Br ZINC000224617663 568588276 /nfs/dbraw/zinc/58/82/76/568588276.db2.gz WOYPRUTXKMEWIZ-UHFFFAOYSA-N 1 0 417.347 4.049 40 0 HIABRO COc1cc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C(C)C ZINC000224639389 568589986 /nfs/dbraw/zinc/58/99/86/568589986.db2.gz DGILDZPITNVIOJ-UHFFFAOYSA-N 1 0 416.587 4.201 40 0 HIABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 ZINC000225571203 568652465 /nfs/dbraw/zinc/65/24/65/568652465.db2.gz NCRHTLSARRILPL-UHFFFAOYSA-N 1 0 414.521 4.233 40 0 HIABRO CCOC(=O)c1cc(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)ccc1Cl ZINC000225583140 568654355 /nfs/dbraw/zinc/65/43/55/568654355.db2.gz YOGVCRAMJSOSEI-INIZCTEOSA-N 1 0 411.999 4.458 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCC3(c4ccccc4)CCOCC3)CC2)c1 ZINC000225855190 568680954 /nfs/dbraw/zinc/68/09/54/568680954.db2.gz QPRJGIPDJRXXGQ-UHFFFAOYSA-N 1 0 406.570 4.072 40 0 HIABRO CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904520 568684859 /nfs/dbraw/zinc/68/48/59/568684859.db2.gz CURIGRZCAHNOFQ-IBGZPJMESA-N 1 0 414.933 4.296 40 0 HIABRO CCc1ncc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)cn1 ZINC000257205786 568777742 /nfs/dbraw/zinc/77/77/42/568777742.db2.gz BANRMQIQVZJSRC-QGZVFWFLSA-N 1 0 408.571 4.381 40 0 HIABRO CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(C[NH+](C)C)c4)OCC[C@@]31C2 ZINC000257219904 568782001 /nfs/dbraw/zinc/78/20/01/568782001.db2.gz DITCVHIWYHKRQQ-MVXHCJBISA-N 1 0 414.590 4.165 40 0 HIABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cccnc4N)C3)c2)cc1 ZINC000257230622 568785075 /nfs/dbraw/zinc/78/50/75/568785075.db2.gz GDCWXPWAYWJIOK-SFHVURJKSA-N 1 0 401.514 4.439 40 0 HIABRO CC[C@@H](C(=O)N1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1)[NH+]1CCCC1 ZINC000257263574 568793920 /nfs/dbraw/zinc/79/39/20/568793920.db2.gz LQPXVJIRAPKBBW-DEOSSOPVSA-N 1 0 409.549 4.392 40 0 HIABRO Cc1nc(C)c(CC(=O)N2[C@@H]3CCCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)s1 ZINC000257268825 568795429 /nfs/dbraw/zinc/79/54/29/568795429.db2.gz MNJLWFRKWUSVDR-AUNLMLFCSA-N 1 0 423.626 4.435 40 0 HIABRO CNc1cc(C)nc([C@@]2(C)CCC[N@H+](Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257291650 568802033 /nfs/dbraw/zinc/80/20/33/568802033.db2.gz QHZRSQHWFCTBLP-VWLOTQADSA-N 1 0 417.557 4.354 40 0 HIABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257308674 568807163 /nfs/dbraw/zinc/80/71/63/568807163.db2.gz TXRFFXANAYVACA-FQEVSTJZSA-N 1 0 424.564 4.213 40 0 HIABRO CC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccn(-c3ccccc3)n2)[C@H](c2cccc(F)c2)[NH2+]1 ZINC000257310433 568807629 /nfs/dbraw/zinc/80/76/29/568807629.db2.gz UFBDBROTSWUDFO-HJNYFJLDSA-N 1 0 406.505 4.113 40 0 HIABRO COc1cccc(OC)c1C[NH+]1CCC(c2cccc(Nc3ncccn3)n2)CC1 ZINC000257338017 568815439 /nfs/dbraw/zinc/81/54/39/568815439.db2.gz YVLWXUAXLMRVFJ-UHFFFAOYSA-N 1 0 405.502 4.012 40 0 HIABRO CC(=O)c1ccccc1OC[C@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000027228788 568866289 /nfs/dbraw/zinc/86/62/89/568866289.db2.gz OHPSWRGGGLYOPS-XMMPIXPASA-N 1 0 403.522 4.374 40 0 HIABRO Cc1ccc(-c2cnc3n2C2(CC[NH+](Cc4ccc5c(c4)OCO5)CC2)COC3)cc1 ZINC000306131202 568893485 /nfs/dbraw/zinc/89/34/85/568893485.db2.gz JYNPTEOUVHXNTA-UHFFFAOYSA-N 1 0 417.509 4.109 40 0 HIABRO CCc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306137426 568899326 /nfs/dbraw/zinc/89/93/26/568899326.db2.gz QVZMBQOTZORGJX-JYFHCDHNSA-N 1 0 420.601 4.255 40 0 HIABRO Cc1cc(C)cc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144594 568906050 /nfs/dbraw/zinc/90/60/50/568906050.db2.gz ZJUOGLCXDSJIQH-BVAGGSTKSA-N 1 0 420.601 4.309 40 0 HIABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cccc3c2C(=O)N(C)C3)cc1 ZINC000253602361 569318376 /nfs/dbraw/zinc/31/83/76/569318376.db2.gz NVTVUXPLEMAGKC-IEBWSBKVSA-N 1 0 405.542 4.045 40 0 HIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)C1 ZINC000019014383 569345172 /nfs/dbraw/zinc/34/51/72/569345172.db2.gz ONUZYKQENOTARR-PNYDRXLNSA-N 1 0 419.569 4.233 40 0 HIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C2CCC2)c2ccccn2)C1 ZINC000019133390 569345298 /nfs/dbraw/zinc/34/52/98/569345298.db2.gz DFYFKYDNKVXCGW-HYBUGGRVSA-N 1 0 407.558 4.268 40 0 HIABRO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 ZINC000019704348 569347586 /nfs/dbraw/zinc/34/75/86/569347586.db2.gz QAQRNSUBMOVCRW-INIZCTEOSA-N 1 0 411.937 4.093 40 0 HIABRO CNc1ncccc1C[N@@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(OC)cc1 ZINC000019713408 569348397 /nfs/dbraw/zinc/34/83/97/569348397.db2.gz GHRCRVUMQIQONW-RCZVLFRGSA-N 1 0 422.573 4.068 40 0 HIABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713832 569348519 /nfs/dbraw/zinc/34/85/19/569348519.db2.gz SSSBCENXCNEIIA-PKTZIBPZSA-N 1 0 416.569 4.497 40 0 HIABRO COc1ccccc1[C@@H](CNC(=O)c1cc2cc(C)ccc2n1C)[NH+]1CCCCC1 ZINC000141575819 569354987 /nfs/dbraw/zinc/35/49/87/569354987.db2.gz JXKJOFJGIUTNSY-HSZRJFAPSA-N 1 0 405.542 4.452 40 0 HIABRO OCC[NH+]1CCC(c2ccnc(Nc3ncc(-c4ccc(F)c(F)c4)s3)c2)CC1 ZINC000143380658 571272570 /nfs/dbraw/zinc/27/25/70/571272570.db2.gz BMWCSPWSYDIMCM-UHFFFAOYSA-N 1 0 416.497 4.399 40 0 HIABRO COC(=O)c1ccc2c(c1)CCN(c1cc(C(C)C)[nH+]c(NC3CCCCC3)n1)C2 ZINC000328964930 571306953 /nfs/dbraw/zinc/30/69/53/571306953.db2.gz BYPIHIIWHIOCRO-UHFFFAOYSA-N 1 0 408.546 4.694 40 0 HIABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cc6ccccc6s5)ccc43)C2)CC1 ZINC000020503205 575369204 /nfs/dbraw/zinc/36/92/04/575369204.db2.gz DFOMWIQWSKQHHH-PKOBYXMFSA-N 1 0 419.594 4.243 40 0 biogenic,in-vitro HIABRO Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)[NH2+][C@H](C(=O)NC2CCC2)C3)no1 ZINC000049171899 291267816 /nfs/dbraw/zinc/26/78/16/291267816.db2.gz GZNFQZZAINNEDB-VXKWHMMOSA-N 1 0 420.557 4.256 40 0 biogenic,in-vitro HIABRO Fc1ccc(OCc2nnc([C@H]3CC[N@H+](Cc4cnc5ccccc5c4)C3)o2)cc1 ZINC000049170375 291269032 /nfs/dbraw/zinc/26/90/32/291269032.db2.gz CSYAYHCHKGPCOE-SFHVURJKSA-N 1 0 404.445 4.325 40 0 biogenic,in-vitro HIABRO O=C1c2cccc3c(N4CC[NH2+]CC4)ccc(c32)C(=O)N1c1cccc2ccccc21 ZINC000005605003 132307136 /nfs/dbraw/zinc/30/71/36/132307136.db2.gz FWHFXZWFSWAQFH-UHFFFAOYSA-N 1 0 407.473 4.203 40 0 HIABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856810 522761146 /nfs/dbraw/zinc/76/11/46/522761146.db2.gz RFTBGQRLBRTJPD-TZIWHRDSSA-N 1 0 414.521 4.322 40 0 HIABRO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1OC ZINC000044873437 523391659 /nfs/dbraw/zinc/39/16/59/523391659.db2.gz YKJIHKMBUUQEEY-WYMLVPIESA-N 1 0 424.541 4.028 40 0 HIABRO COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908463 524969956 /nfs/dbraw/zinc/96/99/56/524969956.db2.gz LCTBWTLRTGOEFU-PKOBYXMFSA-N 1 0 416.949 4.144 40 0 HIABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044908949 525422930 /nfs/dbraw/zinc/42/29/30/525422930.db2.gz RDURONQGKPHQTB-UHFFFAOYSA-N 1 0 400.522 4.362 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c2ccccc21 ZINC000072330566 527201778 /nfs/dbraw/zinc/20/17/78/527201778.db2.gz ZAWCIFMIKYXEES-CPJSRVTESA-N 1 0 416.569 4.443 40 0 HIABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000001766373 557285663 /nfs/dbraw/zinc/28/56/63/557285663.db2.gz KMEWLNDTGQRJKW-UHFFFAOYSA-N 1 0 420.509 4.356 40 0 HIABRO O=C([C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000002735041 557373916 /nfs/dbraw/zinc/37/39/16/557373916.db2.gz LRPAONHLJBPZIP-HSZRJFAPSA-N 1 0 420.553 4.109 40 0 HIABRO CCn1cc(-c2cc(C(=O)NC(C)(C)C[NH+]3CCCCC3)c3ccccc3n2)cn1 ZINC000035316600 557691474 /nfs/dbraw/zinc/69/14/74/557691474.db2.gz AOVNAVGDDNGFCM-UHFFFAOYSA-N 1 0 405.546 4.113 40 0 HIABRO O=C(COc1ccc(Br)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447887 557741859 /nfs/dbraw/zinc/74/18/59/557741859.db2.gz BVCMORXSANQHSZ-UHFFFAOYSA-N 1 0 417.347 4.130 40 0 HIABRO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008327017 557782032 /nfs/dbraw/zinc/78/20/32/557782032.db2.gz MYEDERFUBRHBFD-OAHLLOKOSA-N 1 0 412.299 4.036 40 0 HIABRO COc1ccccc1CN1C(=O)Cc2c1nc([C@@H]1CCC[N@@H+](C3CCCC3)C1)nc2C ZINC000019744144 558264756 /nfs/dbraw/zinc/26/47/56/558264756.db2.gz VBTUBGVBBPGFBT-LJQANCHMSA-N 1 0 420.557 4.005 40 0 HIABRO COc1ccccc1NC(=O)c1ccc(C2CC[NH+](C3CCCCC3)CC2)nc1N ZINC000019766287 558278544 /nfs/dbraw/zinc/27/85/44/558278544.db2.gz CMEDPAIWZLUBMC-UHFFFAOYSA-N 1 0 408.546 4.437 40 0 HIABRO COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]2CCCO2)cc1OC ZINC000012116788 558328792 /nfs/dbraw/zinc/32/87/92/558328792.db2.gz NVDAFFYXVFSCKY-SFHVURJKSA-N 1 0 413.543 4.337 40 0 HIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000020111791 558336093 /nfs/dbraw/zinc/33/60/93/558336093.db2.gz QTWHTBUHERHJJK-RTBURBONSA-N 1 0 402.560 4.125 40 0 HIABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]Cc3ccc(C(F)(F)F)cc3)cc12 ZINC000012186427 558345515 /nfs/dbraw/zinc/34/55/15/558345515.db2.gz VYYHUDGLIASWFO-UHFFFAOYSA-N 1 0 412.415 4.331 40 0 HIABRO COc1ccc(OC)c([C@H](O)C[NH+]2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)c1 ZINC000012188000 558346822 /nfs/dbraw/zinc/34/68/22/558346822.db2.gz RUJALDFWNDWKFQ-JOCHJYFZSA-N 1 0 409.526 4.294 40 0 HIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)C[C@@H]2O ZINC000012293586 558366737 /nfs/dbraw/zinc/36/67/37/558366737.db2.gz BZQFXPSOOKKVMX-ZEQRLZLVSA-N 1 0 419.521 4.233 40 0 HIABRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012325591 558383192 /nfs/dbraw/zinc/38/31/92/558383192.db2.gz UFGDQUXBOCTKFB-UHFFFAOYSA-N 1 0 415.509 4.221 40 0 HIABRO Cc1c([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)c2ccccc2n1C ZINC000012329225 558384003 /nfs/dbraw/zinc/38/40/03/558384003.db2.gz HZMSOUMGONCFGV-XZOQPEGZSA-N 1 0 420.553 4.179 40 0 HIABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329571 558384369 /nfs/dbraw/zinc/38/43/69/558384369.db2.gz FEMTVXDWWBMSAV-XZOQPEGZSA-N 1 0 411.542 4.086 40 0 HIABRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189498 558591464 /nfs/dbraw/zinc/59/14/64/558591464.db2.gz NWELWMXXXUAGKL-INIZCTEOSA-N 1 0 417.347 4.129 40 0 HIABRO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039760858 558685356 /nfs/dbraw/zinc/68/53/56/558685356.db2.gz CTLHWANTUMNVFI-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000039761258 558685645 /nfs/dbraw/zinc/68/56/45/558685645.db2.gz LVYKGKACDWWDRK-UHFFFAOYSA-N 1 0 424.585 4.363 40 0 HIABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1C ZINC000039763070 558685783 /nfs/dbraw/zinc/68/57/83/558685783.db2.gz CHQPFWRKPYZWMK-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039763516 558685942 /nfs/dbraw/zinc/68/59/42/558685942.db2.gz ZCPZAUHZKTYRKT-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039772602 558686316 /nfs/dbraw/zinc/68/63/16/558686316.db2.gz CAWRWZFVOULBSE-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000039747998 558686850 /nfs/dbraw/zinc/68/68/50/558686850.db2.gz WHQOWHPBXINNNK-UHFFFAOYSA-N 1 0 424.585 4.363 40 0 HIABRO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039752476 558687053 /nfs/dbraw/zinc/68/70/53/558687053.db2.gz OQJUZMFVYBACSA-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO Cc1cccc(CSCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000039751165 558687147 /nfs/dbraw/zinc/68/71/47/558687147.db2.gz IHLIAOMZIAEBFK-UHFFFAOYSA-N 1 0 400.563 4.396 40 0 HIABRO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000028220431 558693142 /nfs/dbraw/zinc/69/31/42/558693142.db2.gz VZYVJRQXNDGHKN-LJQANCHMSA-N 1 0 415.940 4.040 40 0 HIABRO CC(=O)c1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000035306953 558789688 /nfs/dbraw/zinc/78/96/88/558789688.db2.gz KEECMEYAPMBZSF-KKSHJYNMSA-N 1 0 409.599 4.481 40 0 HIABRO O=C(C1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019014686 558836764 /nfs/dbraw/zinc/83/67/64/558836764.db2.gz LKPXNJAJTBWRRF-NRFANRHFSA-N 1 0 412.578 4.117 40 0 HIABRO Cc1cc2c(cc1C[NH+]1CCC([C@@H](NC(=O)CC(C)C)c3ccccn3)CC1)OCO2 ZINC000019125537 558844613 /nfs/dbraw/zinc/84/46/13/558844613.db2.gz WFMUKNUEZXFZQS-RUZDIDTESA-N 1 0 423.557 4.234 40 0 HIABRO CNc1cc(C2CC[NH+](Cc3ccc(C)cc3OC)CC2)nc(-c2cccnc2)n1 ZINC000019133901 558845954 /nfs/dbraw/zinc/84/59/54/558845954.db2.gz HUFPZHJKDFWWTO-UHFFFAOYSA-N 1 0 403.530 4.277 40 0 HIABRO CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236186 558855350 /nfs/dbraw/zinc/85/53/50/558855350.db2.gz AJYORQFQAUDJRH-AREMUKBSSA-N 1 0 414.553 4.023 40 0 HIABRO O=C(c1ccncc1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019343546 558872491 /nfs/dbraw/zinc/87/24/91/558872491.db2.gz AGUKYIRUWYUFAR-NJDAHSKKSA-N 1 0 409.580 4.335 40 0 HIABRO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1OC(F)F ZINC000019348740 558874644 /nfs/dbraw/zinc/87/46/44/558874644.db2.gz MRAIZRPJNDLUOF-NHJWOMDBSA-N 1 0 413.468 4.196 40 0 HIABRO CC(C)c1ccc(C[NH+]2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cc1 ZINC000019453188 558890835 /nfs/dbraw/zinc/89/08/35/558890835.db2.gz OZXNWJUVHFFHTF-OAQYLSRUSA-N 1 0 411.546 4.086 40 0 HIABRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1)c1cc2cc(Cl)ccc2o1 ZINC000019458504 558892588 /nfs/dbraw/zinc/89/25/88/558892588.db2.gz ZSTLIDHLKKPAHT-HZPDHXFCSA-N 1 0 403.954 4.070 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503283 558900604 /nfs/dbraw/zinc/90/06/04/558900604.db2.gz MOJZLJGHVABVFP-DEOSSOPVSA-N 1 0 414.553 4.057 40 0 HIABRO CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019528757 558910189 /nfs/dbraw/zinc/91/01/89/558910189.db2.gz MUWSPICDBWVKFS-DEOSSOPVSA-N 1 0 422.598 4.110 40 0 HIABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019529161 558910847 /nfs/dbraw/zinc/91/08/47/558910847.db2.gz QGFRUGZDCMMAFN-DEOSSOPVSA-N 1 0 405.567 4.381 40 0 HIABRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)c1 ZINC000019565417 558925424 /nfs/dbraw/zinc/92/54/24/558925424.db2.gz RYKNHOBVEGGWTO-VABKMULXSA-N 1 0 410.583 4.373 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c(F)c1 ZINC000072330388 558934565 /nfs/dbraw/zinc/93/45/65/558934565.db2.gz MOXYPZMOOYKHIW-CYFREDJKSA-N 1 0 413.537 4.345 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)n1 ZINC000072330493 558934862 /nfs/dbraw/zinc/93/48/62/558934862.db2.gz KGXLHKJEJKZVDI-OFVILXPXSA-N 1 0 414.553 4.477 40 0 HIABRO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019581462 558936931 /nfs/dbraw/zinc/93/69/31/558936931.db2.gz DUZWFXJIFBIHIG-GBXCKJPGSA-N 1 0 406.505 4.039 40 0 HIABRO Cc1nc(C2=CC[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC2)nc(N2CCCC2)c1C ZINC000072339575 558938659 /nfs/dbraw/zinc/93/86/59/558938659.db2.gz GAYYZDIMSZNWCS-NRFANRHFSA-N 1 0 412.965 4.170 40 0 HIABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072344792 558941101 /nfs/dbraw/zinc/94/11/01/558941101.db2.gz OFMIXZMOKCSQLV-QFIPXVFZSA-N 1 0 402.542 4.104 40 0 HIABRO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cccc(Cl)c1 ZINC000019654869 558948239 /nfs/dbraw/zinc/94/82/39/558948239.db2.gz BSALWZOZQCPGQT-HXUWFJFHSA-N 1 0 421.368 4.461 40 0 HIABRO O=C(c1sc2ccccc2c1[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000072352337 558948562 /nfs/dbraw/zinc/94/85/62/558948562.db2.gz ADVBVTOXURPZMH-HXUWFJFHSA-N 1 0 420.578 4.406 40 0 HIABRO COc1ccccc1OCCN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](C)C1 ZINC000072352581 558949255 /nfs/dbraw/zinc/94/92/55/558949255.db2.gz VSGPTYYCWGDIOP-QGZVFWFLSA-N 1 0 424.566 4.480 40 0 HIABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2c(C)n(C)nc2-c2ccccc2)CC1 ZINC000019658574 558950356 /nfs/dbraw/zinc/95/03/56/558950356.db2.gz PGTZVCWXHRCELF-UHFFFAOYSA-N 1 0 402.542 4.023 40 0 HIABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)c1C ZINC000019693961 558961948 /nfs/dbraw/zinc/96/19/48/558961948.db2.gz VGIGGUUOYVMOPT-LJQANCHMSA-N 1 0 422.552 4.253 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 ZINC000019694070 558962304 /nfs/dbraw/zinc/96/23/04/558962304.db2.gz SVQAVONDFYBCSF-SFHVURJKSA-N 1 0 424.980 4.285 40 0 HIABRO Cc1cnc(NC(=O)CN2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)s1 ZINC000072374875 558963129 /nfs/dbraw/zinc/96/31/29/558963129.db2.gz GPYIJEHMAUGIND-QGZVFWFLSA-N 1 0 422.558 4.112 40 0 HIABRO NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019700438 558966920 /nfs/dbraw/zinc/96/69/20/558966920.db2.gz AOJNRGLWXQNSHP-UHFFFAOYSA-N 1 0 403.501 4.198 40 0 HIABRO Cc1nc(C2CC[NH+](Cc3ccc(F)cc3)CC2)nc2c1CCC(=O)N2CC(C)C ZINC000019703735 558967673 /nfs/dbraw/zinc/96/76/73/558967673.db2.gz FWAZLCZXAKOCKR-UHFFFAOYSA-N 1 0 410.537 4.239 40 0 HIABRO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ccncc1 ZINC000072380042 558968116 /nfs/dbraw/zinc/96/81/16/558968116.db2.gz LQFSZDFAJRZIJO-LJQANCHMSA-N 1 0 423.582 4.006 40 0 HIABRO CCc1ncc(C[N@@H+]2CCC[C@@H](Cc3cc(Nc4ncc(C)s4)nc(C)n3)C2)cn1 ZINC000072383465 558969094 /nfs/dbraw/zinc/96/90/94/558969094.db2.gz GSOOVZVBWJUDTL-KRWDZBQOSA-N 1 0 423.590 4.101 40 0 HIABRO C[C@H](C[N@@H+]1CCN(C)C(=O)[C@H](Cc2ccccc2-c2ccncc2)C1)c1ccccc1 ZINC000072388968 558969406 /nfs/dbraw/zinc/96/94/06/558969406.db2.gz XYROXZOIPUUQIU-PXDATVDWSA-N 1 0 413.565 4.485 40 0 HIABRO Cc1ccc2c(c1)C(=O)NCC1(CCC([N@H+](C)Cc3c(F)cccc3F)CC1)O2 ZINC000072391777 558971550 /nfs/dbraw/zinc/97/15/50/558971550.db2.gz OVKIOIWWCQDTAC-UHFFFAOYSA-N 1 0 400.469 4.209 40 0 HIABRO COc1ccc(-c2cccc(C[N@H+]3C[C@H]4[C@H](CC[C@]4(O)c4ccccn4)C3)c2)cc1 ZINC000072392554 558972201 /nfs/dbraw/zinc/97/22/01/558972201.db2.gz CGNLKURPQQTXJC-KTIWRFAQSA-N 1 0 400.522 4.487 40 0 HIABRO COCc1ccc(C(=O)NC2CC[NH+](CC3(c4ccc(Cl)cc4)CCC3)CC2)o1 ZINC000072393391 558972666 /nfs/dbraw/zinc/97/26/66/558972666.db2.gz UDFMSMFYWQOLGU-UHFFFAOYSA-N 1 0 416.949 4.396 40 0 HIABRO CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@H+](C)CCOc2ccc(C)cc2)C1 ZINC000072395268 558974122 /nfs/dbraw/zinc/97/41/22/558974122.db2.gz LXHHXDUNLKMQAL-HXUWFJFHSA-N 1 0 420.557 4.108 40 0 HIABRO Cc1ccc(OCCC[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000072395710 558974753 /nfs/dbraw/zinc/97/47/53/558974753.db2.gz KPYZVKFHVRLTBO-RBUKOAKNSA-N 1 0 423.483 4.055 40 0 HIABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000072398650 558976171 /nfs/dbraw/zinc/97/61/71/558976171.db2.gz AZGMSVIINPKKRZ-JPYJTQIMSA-N 1 0 422.479 4.138 40 0 HIABRO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)nc2ccccn12 ZINC000585100062 559023713 /nfs/dbraw/zinc/02/37/13/559023713.db2.gz DPXFPWPZYLCVEA-AREMUKBSSA-N 1 0 416.569 4.498 40 0 HIABRO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](Cc2sc(C)nc2C)CC3)cs1 ZINC000585100251 559023863 /nfs/dbraw/zinc/02/38/63/559023863.db2.gz IXRHDHAEKKHSJA-FQEVSTJZSA-N 1 0 404.605 4.072 40 0 HIABRO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)s1 ZINC000585100612 559024183 /nfs/dbraw/zinc/02/41/83/559024183.db2.gz QAQYJPZPQIYXCL-JOCHJYFZSA-N 1 0 401.551 4.446 40 0 HIABRO 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 559029752 /nfs/dbraw/zinc/02/97/52/559029752.db2.gz HJZQZXWJSWBFPO-MTFMMBMASA-N 1 0 415.990 4.250 40 0 HIABRO Cc1cc(C)cc(C(=O)N2CCC3(C[N@H+](Cc4ccccc4)C[C@]34CCOC4)CC2)c1 ZINC000585113487 559031368 /nfs/dbraw/zinc/03/13/68/559031368.db2.gz PXIRWQSEVPCEHK-MHZLTWQESA-N 1 0 418.581 4.448 40 0 HIABRO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCC[N@@H+]2CCc2ccccc2)n1 ZINC000585166782 559067360 /nfs/dbraw/zinc/06/73/60/559067360.db2.gz YIEQKMNZZOGYBG-XMMPIXPASA-N 1 0 414.553 4.485 40 0 HIABRO C[NH+](C)CCCNC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 ZINC000096037903 559091660 /nfs/dbraw/zinc/09/16/60/559091660.db2.gz UIMPQFUZRXYPAX-UHFFFAOYSA-N 1 0 406.511 4.300 40 0 HIABRO COc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)N(C)C)c2ccccc2O3)cc1 ZINC000096053160 559093075 /nfs/dbraw/zinc/09/30/75/559093075.db2.gz UAYOOWIPJJWMOM-FQEVSTJZSA-N 1 0 408.542 4.074 40 0 HIABRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)C1 ZINC000096155522 559099782 /nfs/dbraw/zinc/09/97/82/559099782.db2.gz JYGITZGKGHRELO-HXUWFJFHSA-N 1 0 400.482 4.037 40 0 HIABRO OCC[NH+]1CCC(c2ccnc(Nc3ncc(-c4ccc(F)cc4F)s3)c2)CC1 ZINC000585262741 559111064 /nfs/dbraw/zinc/11/10/64/559111064.db2.gz BLGPTWQCMRRAIN-UHFFFAOYSA-N 1 0 416.497 4.399 40 0 HIABRO OCC[NH+]1CCC(Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)CC1 ZINC000585263066 559111578 /nfs/dbraw/zinc/11/15/78/559111578.db2.gz ZRBNEWOUEDSNBC-UHFFFAOYSA-N 1 0 412.534 4.335 40 0 HIABRO COc1ccc(-c2cccc(C(=O)N3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2C)cc1 ZINC000585294080 559126903 /nfs/dbraw/zinc/12/69/03/559126903.db2.gz MIAQGBZHEZKCGG-KDURUIRLSA-N 1 0 422.569 4.384 40 0 HIABRO c1cn2cc(C[C@@H]3COCC[N@H+](Cc4ccccc4Oc4ccccc4)C3)ncc2n1 ZINC000257204626 559282379 /nfs/dbraw/zinc/28/23/79/559282379.db2.gz AVOQZMPONWEHGW-FQEVSTJZSA-N 1 0 414.509 4.213 40 0 HIABRO C[C@H](C[NH+]1CCCC1)NC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257255351 559284572 /nfs/dbraw/zinc/28/45/72/559284572.db2.gz KHCXDGJUILPPQK-HXUWFJFHSA-N 1 0 424.560 4.433 40 0 HIABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000257259479 559284737 /nfs/dbraw/zinc/28/47/37/559284737.db2.gz KYPFUPKLWUOEKT-HSZRJFAPSA-N 1 0 400.494 4.234 40 0 HIABRO O=C(NCC[NH+]1CCCC1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257277791 559285140 /nfs/dbraw/zinc/28/51/40/559285140.db2.gz NZJJIFHNCCUYJB-UHFFFAOYSA-N 1 0 410.533 4.044 40 0 HIABRO O=C(NCC[NH+]1CCCCC1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257274116 559285204 /nfs/dbraw/zinc/28/52/04/559285204.db2.gz NJQCMWRVXYICQO-UHFFFAOYSA-N 1 0 424.560 4.434 40 0 HIABRO CC(C)(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000514289738 560031762 /nfs/dbraw/zinc/03/17/62/560031762.db2.gz CZCBTJPCNKFBMD-SXWKCWPCSA-N 1 0 400.588 4.481 40 0 biogenic,in-vitro HIABRO CC(C)CC[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289592 560032187 /nfs/dbraw/zinc/03/21/87/560032187.db2.gz LWIILFNMJOJTKR-IRLDBZIGSA-N 1 0 400.469 4.195 40 0 biogenic,in-vitro HIABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3cccs3)n2)cc1 ZINC000004169389 560602426 /nfs/dbraw/zinc/60/24/26/560602426.db2.gz PBSQZIRUKNBOCE-UHFFFAOYSA-N 1 0 401.557 4.479 40 0 HIABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3F)cc12 ZINC000004231256 560602957 /nfs/dbraw/zinc/60/29/57/560602957.db2.gz HFKIYMYYYYATJT-UHFFFAOYSA-N 1 0 424.520 4.270 40 0 HIABRO O=C(Nc1ccccc1F)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408860845 560648006 /nfs/dbraw/zinc/64/80/06/560648006.db2.gz GNVRCOYHEUSDHA-UHFFFAOYSA-N 1 0 403.501 4.396 40 0 HIABRO C=C1[NH+]=C(SCC(=O)Nc2cccc(C)c2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408991031 560662334 /nfs/dbraw/zinc/66/23/34/560662334.db2.gz PLKUBKLMDIHQGY-NRFANRHFSA-N 1 0 423.538 4.204 40 0 HIABRO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])c(C[NH+]3CCc4ccccc4C3)coc1=O)C2 ZINC000100796366 560726620 /nfs/dbraw/zinc/72/66/20/560726620.db2.gz XXDKRXKNQDZGPO-LVXARBLLSA-N 1 0 422.569 4.304 40 0 HIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000006629878 560744580 /nfs/dbraw/zinc/74/45/80/560744580.db2.gz GBXAQPYGLMCJFC-UHFFFAOYSA-N 1 0 405.951 4.317 40 0 HIABRO C[C@@H]1C[C@H](C)C[N@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000013563122 560816186 /nfs/dbraw/zinc/81/61/86/560816186.db2.gz IIPMXTZHHFWNLN-CALCHBBNSA-N 1 0 419.525 4.394 40 0 HIABRO c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020121584 560880742 /nfs/dbraw/zinc/88/07/42/560880742.db2.gz LMJDEWCEFNATGG-QHCPKHFHSA-N 1 0 408.594 4.218 40 0 HIABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000004231209 560893966 /nfs/dbraw/zinc/89/39/66/560893966.db2.gz MHKNAIKOIFXWJX-UHFFFAOYSA-N 1 0 424.520 4.270 40 0 HIABRO CO[C@@]1(Cn2cnc3ccccc32)CCC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000057774472 568497471 /nfs/dbraw/zinc/49/74/71/568497471.db2.gz IINSXWHKRAMMLI-VWLOTQADSA-N 1 0 416.525 4.190 40 0 HIABRO Cc1ccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)n2)cc1 ZINC000219964128 568500437 /nfs/dbraw/zinc/50/04/37/568500437.db2.gz YCWGGBRSAZVHID-UHFFFAOYSA-N 1 0 404.514 4.351 40 0 HIABRO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222596580 568519796 /nfs/dbraw/zinc/51/97/96/568519796.db2.gz PIULKOQIJVMCAY-LJQANCHMSA-N 1 0 424.932 4.261 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223241627 568542343 /nfs/dbraw/zinc/54/23/43/568542343.db2.gz LZLYMVLMWRJDBM-YADHBBJMSA-N 1 0 424.545 4.405 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000223325833 568545259 /nfs/dbraw/zinc/54/52/59/568545259.db2.gz NEAKACGGICEWLD-UHFFFAOYSA-N 1 0 406.570 4.072 40 0 HIABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCc3ccccc3)cc12 ZINC000026440742 568547216 /nfs/dbraw/zinc/54/72/16/568547216.db2.gz PPHWPANSTLDQHE-UHFFFAOYSA-N 1 0 400.526 4.344 40 0 HIABRO Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223847761 568560836 /nfs/dbraw/zinc/56/08/36/568560836.db2.gz TUTMVCLZLCCRPY-FGZHOGPDSA-N 1 0 413.506 4.150 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccc(C)c(Cl)c3)CC2)c1 ZINC000224167582 568572145 /nfs/dbraw/zinc/57/21/45/568572145.db2.gz ZPWJMETVAZNLHI-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000224526579 568583614 /nfs/dbraw/zinc/58/36/14/568583614.db2.gz HLZVGJSBTKFLKH-SFHVURJKSA-N 1 0 408.542 4.444 40 0 HIABRO Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000224594451 568586861 /nfs/dbraw/zinc/58/68/61/568586861.db2.gz ZTSMMBSIAYSOQE-VXKWHMMOSA-N 1 0 413.506 4.150 40 0 HIABRO O=C(COc1ccc(Br)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224674677 568591819 /nfs/dbraw/zinc/59/18/19/568591819.db2.gz WWOYTDCUWUQVFB-UHFFFAOYSA-N 1 0 417.347 4.130 40 0 HIABRO CCn1c2ccc(NC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)cc2sc1=O ZINC000225110655 568614984 /nfs/dbraw/zinc/61/49/84/568614984.db2.gz FLCIDZCPOWNSBV-UHFFFAOYSA-N 1 0 409.555 4.242 40 0 HIABRO CC(C)n1c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2sc1=O ZINC000225165913 568619838 /nfs/dbraw/zinc/61/98/38/568619838.db2.gz HTPCYTAAUZKEID-UHFFFAOYSA-N 1 0 409.555 4.495 40 0 HIABRO FC(F)(F)c1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000225212246 568623513 /nfs/dbraw/zinc/62/35/13/568623513.db2.gz RIVPFDLBKHXILA-UHFFFAOYSA-N 1 0 405.489 4.187 40 0 HIABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225561258 568651274 /nfs/dbraw/zinc/65/12/74/568651274.db2.gz JBIGALPDCSDMJQ-NRFANRHFSA-N 1 0 422.569 4.484 40 0 HIABRO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccccc4C)CC3)s2)cc1 ZINC000225665428 568661909 /nfs/dbraw/zinc/66/19/09/568661909.db2.gz SPLTVBKHXGJOJJ-UHFFFAOYSA-N 1 0 422.554 4.373 40 0 HIABRO CCOC(=O)C1(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000225901826 568684796 /nfs/dbraw/zinc/68/47/96/568684796.db2.gz GEOCPDZEXWCOHC-HXUWFJFHSA-N 1 0 406.526 4.132 40 0 HIABRO 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 568778178 /nfs/dbraw/zinc/77/81/78/568778178.db2.gz BGZZDRZGJYYWKS-XPICPDFBSA-N 1 0 420.601 4.451 40 0 HIABRO O=C(NCC[C@@H]1CCCC[N@@H+]1Cc1cccc(Oc2ncccn2)c1)c1ccccc1 ZINC000257228845 568784566 /nfs/dbraw/zinc/78/45/66/568784566.db2.gz FVNSILRLXDLARV-QFIPXVFZSA-N 1 0 416.525 4.444 40 0 HIABRO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc(-c3ccccc3OC)c2)C1 ZINC000257243569 568788415 /nfs/dbraw/zinc/78/84/15/568788415.db2.gz IHOXRTGBSXANKZ-SANMLTNESA-N 1 0 415.537 4.037 40 0 HIABRO O=C(N1CC[NH2+]C[C@@H](COCc2ccccc2)C1)C1(c2ccccc2)CCCCC1 ZINC000257251718 568790669 /nfs/dbraw/zinc/79/06/69/568790669.db2.gz JRXAPKVBYBOEJZ-HSZRJFAPSA-N 1 0 406.570 4.153 40 0 HIABRO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cnc(C)nc4C)C3)c2)n1 ZINC000257259608 568792677 /nfs/dbraw/zinc/79/26/77/568792677.db2.gz KZCBTSXICVUXRU-KRWDZBQOSA-N 1 0 422.558 4.325 40 0 HIABRO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257260285 568792848 /nfs/dbraw/zinc/79/28/48/568792848.db2.gz LCEIUMZDALXHMD-KRWDZBQOSA-N 1 0 424.574 4.269 40 0 HIABRO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257301371 568804879 /nfs/dbraw/zinc/80/48/79/568804879.db2.gz RYFHLMJNVZPTPN-FQEVSTJZSA-N 1 0 424.564 4.213 40 0 HIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3N3CCCC3)C[C@H]2c2ccccc2)N1 ZINC000257341841 568816689 /nfs/dbraw/zinc/81/66/89/568816689.db2.gz ZMDRDXIOFRXGMJ-JYFHCDHNSA-N 1 0 403.570 4.315 40 0 HIABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)CCn4nccc4C)C3)c2)cc1 ZINC000257342244 568816758 /nfs/dbraw/zinc/81/67/58/568816758.db2.gz ZNTFGRPSWICRJY-LJQANCHMSA-N 1 0 419.529 4.053 40 0 HIABRO Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000026780605 568831355 /nfs/dbraw/zinc/83/13/55/568831355.db2.gz FINWJXUZMCCZPH-OAQYLSRUSA-N 1 0 422.491 4.193 40 0 HIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccc(OC)c5)cn4n3)C2)cn1 ZINC000306130436 568893001 /nfs/dbraw/zinc/89/30/01/568893001.db2.gz JGISMFRNEUTRQJ-NRFANRHFSA-N 1 0 416.529 4.001 40 0 HIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000005939539 569051930 /nfs/dbraw/zinc/05/19/30/569051930.db2.gz NBSRJFBKIXNCDI-JOCHJYFZSA-N 1 0 424.589 4.165 40 0 HIABRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1 ZINC000007268609 569336929 /nfs/dbraw/zinc/33/69/29/569336929.db2.gz HCCIACMTUZAORX-UHFFFAOYSA-N 1 0 401.938 4.278 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSCc3ccccc3F)CC2)cc1 ZINC000009062610 569342138 /nfs/dbraw/zinc/34/21/38/569342138.db2.gz VQAYMRIEPLIEFH-UHFFFAOYSA-N 1 0 400.563 4.396 40 0 HIABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009062623 569342150 /nfs/dbraw/zinc/34/21/50/569342150.db2.gz XJCWSJFOCOSHOA-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063595 569342414 /nfs/dbraw/zinc/34/24/14/569342414.db2.gz SKDQMJOHHHOBTC-KRWDZBQOSA-N 1 0 411.521 4.205 40 0 HIABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)c3cccc4c3C(=O)N(C)C4)cc2)[C@@H](C)C1 ZINC000012144910 569344706 /nfs/dbraw/zinc/34/47/06/569344706.db2.gz HSFUCFDYZBHSEG-ICSRJNTNSA-N 1 0 419.569 4.435 40 0 HIABRO C[C@@H]1CCCC[N@@H+]1[C@@H](C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000019496322 569345570 /nfs/dbraw/zinc/34/55/70/569345570.db2.gz WOSNLWWKJPNUKB-YFXJRYMSSA-N 1 0 420.532 4.381 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C2CCCC2)c2ccccn2)C1 ZINC000019570212 569345788 /nfs/dbraw/zinc/34/57/88/569345788.db2.gz MPHKBFGYGUEKOQ-ZJSXRUAMSA-N 1 0 407.558 4.350 40 0 HIABRO Cc1nc([C@@]2(O)CCC[N@H+](CC3CC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705198 569347844 /nfs/dbraw/zinc/34/78/44/569347844.db2.gz SBDXKVRDZAKSCU-OAQYLSRUSA-N 1 0 408.514 4.392 40 0 HIABRO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3[N@@H+]2Cc2ccc(C)cc2OC)cc1 ZINC000019712126 569348282 /nfs/dbraw/zinc/34/82/82/569348282.db2.gz JXDVVWNRXSNTTC-YFNKSVMNSA-N 1 0 422.569 4.257 40 0 HIABRO CN1CC[NH+](CCCN2c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@@H]32)CC1 ZINC000095869817 569352552 /nfs/dbraw/zinc/35/25/52/569352552.db2.gz RQVPJKVPRLTSPS-AZUAARDMSA-N 1 0 409.521 4.032 40 0 HIABRO CNC(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](CCc2ccccc2)CC1 ZINC000019700198 569428565 /nfs/dbraw/zinc/42/85/65/569428565.db2.gz VQURLSZQSAALHI-UHFFFAOYSA-N 1 0 413.565 4.362 40 0 HIABRO NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019700344 569428715 /nfs/dbraw/zinc/42/87/15/569428715.db2.gz UZTYZNAPFAMTTH-UHFFFAOYSA-N 1 0 403.501 4.198 40 0 HIABRO O=C1CS[C@@H](c2ccc3c(c2)OCO3)N1CCCCCC[NH2+]C1CCCCC1 ZINC000095870562 852547632 /nfs/dbraw/zinc/54/76/32/852547632.db2.gz CNDNKSZTIFNYOP-QFIPXVFZSA-N 1 0 404.576 4.472 40 0 HIABRO c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4c[nH]c5ccccc45)n3)cn2)cn1 ZINC000035425752 291271078 /nfs/dbraw/zinc/27/10/78/291271078.db2.gz XIDXAXSJQGTOID-FQEVSTJZSA-N 1 0 411.469 4.136 40 0 biogenic,in-vitro HIABRO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](CC2CCCCC2)C1 ZINC000015674242 291271096 /nfs/dbraw/zinc/27/10/96/291271096.db2.gz JJKRWDYUJPRWAY-WBVHZDCISA-N 1 0 411.424 4.323 40 0 biogenic,in-vitro HIABRO COc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@@H]2CC[N@H+](C)C2)cc1 ZINC000072352583 524951396 /nfs/dbraw/zinc/95/13/96/524951396.db2.gz NPNLMABFZIBAHB-QGZVFWFLSA-N 1 0 424.566 4.480 40 0 HIABRO Cc1c(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3cccc(Cl)c3)CC2)cnn1C ZINC000072376678 525705971 /nfs/dbraw/zinc/70/59/71/525705971.db2.gz YGFXXUCWJWWACE-UHFFFAOYSA-N 1 0 424.980 4.285 40 0 HIABRO COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000009043698 557017444 /nfs/dbraw/zinc/01/74/44/557017444.db2.gz CLFJDEZIXUJXCH-NXQMDHLFSA-N 1 0 421.541 4.122 40 0 HIABRO O=C(OCC[NH+]1CCCCC1)c1ccc(COc2ccccc2Br)o1 ZINC000002752431 557379332 /nfs/dbraw/zinc/37/93/32/557379332.db2.gz KYWVLZMKDOORFP-UHFFFAOYSA-N 1 0 408.292 4.264 40 0 HIABRO O=C(Nc1ccc(F)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000035853310 557829011 /nfs/dbraw/zinc/82/90/11/557829011.db2.gz VLKAZUNKRJSUKX-UHFFFAOYSA-N 1 0 403.501 4.396 40 0 HIABRO Cc1cc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c(C)n1-c1cccnc1 ZINC000012089319 558323657 /nfs/dbraw/zinc/32/36/57/558323657.db2.gz DQHJNLUYGKDVPA-OAQYLSRUSA-N 1 0 402.498 4.234 40 0 HIABRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000020111797 558336062 /nfs/dbraw/zinc/33/60/62/558336062.db2.gz QTWHTBUHERHJJK-OALUTQOASA-N 1 0 402.560 4.125 40 0 HIABRO COc1ccccc1C[NH+]1CCC(O)(Cn2c(C(F)(F)F)cc3cccnc32)CC1 ZINC000012233770 558358288 /nfs/dbraw/zinc/35/82/88/558358288.db2.gz WEPLTXLHDOHPAF-UHFFFAOYSA-N 1 0 419.447 4.091 40 0 HIABRO CCOc1cc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)ccc1OC ZINC000012234359 558358570 /nfs/dbraw/zinc/35/85/70/558358570.db2.gz HIRMRRLZHKBWCS-UHFFFAOYSA-N 1 0 420.513 4.031 40 0 HIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC000012292896 558365960 /nfs/dbraw/zinc/36/59/60/558365960.db2.gz BGLYUPBNFQPRME-UHFFFAOYSA-N 1 0 420.488 4.035 40 0 HIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC000012292897 558365970 /nfs/dbraw/zinc/36/59/70/558365970.db2.gz OTXPOFUSWLRDDS-UHFFFAOYSA-N 1 0 420.488 4.035 40 0 HIABRO CCn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c2ccccc21 ZINC000012293262 558366160 /nfs/dbraw/zinc/36/61/60/558366160.db2.gz VNPLEWQRMDTNRK-DHIUTWEWSA-N 1 0 406.526 4.045 40 0 HIABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293678 558366999 /nfs/dbraw/zinc/36/69/99/558366999.db2.gz WQPNMAUEGIQXDG-SFTDATJTSA-N 1 0 417.933 4.123 40 0 HIABRO Cc1cc2c(cc1Cl)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012329645 558384325 /nfs/dbraw/zinc/38/43/25/558384325.db2.gz FQKAESZAVQLTOE-PMACEKPBSA-N 1 0 405.897 4.172 40 0 HIABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012329982 558384893 /nfs/dbraw/zinc/38/48/93/558384893.db2.gz LDJGKPOLXLCUJU-BJKOFHAPSA-N 1 0 419.521 4.233 40 0 HIABRO COc1nc2cc(C)ccc2cc1C[NH+]1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 ZINC000012330649 558385414 /nfs/dbraw/zinc/38/54/14/558385414.db2.gz PIOBIEQPEQOQNI-UHFFFAOYSA-N 1 0 421.516 4.318 40 0 HIABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330291 558385460 /nfs/dbraw/zinc/38/54/60/558385460.db2.gz JGCDKFNYNJWGSR-ZEQRLZLVSA-N 1 0 407.554 4.258 40 0 HIABRO COc1cc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)ccc1OC(C)C ZINC000012344357 558386638 /nfs/dbraw/zinc/38/66/38/558386638.db2.gz SZARIBANCCZRGQ-UHFFFAOYSA-N 1 0 414.521 4.249 40 0 HIABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000012362956 558387427 /nfs/dbraw/zinc/38/74/27/558387427.db2.gz WPBQZWVVKXBPAI-SFHVURJKSA-N 1 0 401.576 4.050 40 0 HIABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022467454 558491110 /nfs/dbraw/zinc/49/11/10/558491110.db2.gz ANIOZVGTOILZGI-GDKQOWJMSA-N 1 0 423.041 4.296 40 0 HIABRO Cc1cccc(CSCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039761927 558685549 /nfs/dbraw/zinc/68/55/49/558685549.db2.gz PUKSJXDZBCZTLG-UHFFFAOYSA-N 1 0 400.563 4.396 40 0 HIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000035317020 558789975 /nfs/dbraw/zinc/78/99/75/558789975.db2.gz LKDITOSKVHBGAI-UHFFFAOYSA-N 1 0 406.917 4.323 40 0 HIABRO COC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1C ZINC000038858128 558819584 /nfs/dbraw/zinc/81/95/84/558819584.db2.gz NCBABXBIJLNIHQ-KRWDZBQOSA-N 1 0 400.906 4.286 40 0 HIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019081864 558839984 /nfs/dbraw/zinc/83/99/84/558839984.db2.gz QEPXLMUAVBMRPA-LAUBAEHRSA-N 1 0 401.501 4.475 40 0 HIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019081935 558840012 /nfs/dbraw/zinc/84/00/12/558840012.db2.gz GLEYODWIWYUORN-LAUBAEHRSA-N 1 0 401.501 4.475 40 0 HIABRO COc1cc(C[NH+]2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)cc(OC)c1 ZINC000019118653 558842546 /nfs/dbraw/zinc/84/25/46/558842546.db2.gz KIWSSAFWIHGKTQ-UHFFFAOYSA-N 1 0 410.543 4.305 40 0 HIABRO CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Oc3ncccn3)c2)[C@@H]1c1ccc(C)s1 ZINC000019217339 558850649 /nfs/dbraw/zinc/85/06/49/558850649.db2.gz JSRTXYJVGBUBKP-IFMALSPDSA-N 1 0 422.554 4.481 40 0 HIABRO Cc1cccc(OCCC[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019235175 558854314 /nfs/dbraw/zinc/85/43/14/558854314.db2.gz JCBZIGYWKUFGGP-NZSAHSFTSA-N 1 0 423.483 4.055 40 0 HIABRO COc1ccc(CN(C(=O)[C@@H](C)n2c(C)nc3ccccc32)C2CC[NH+](C)CC2)cc1 ZINC000019286638 558860577 /nfs/dbraw/zinc/86/05/77/558860577.db2.gz FQVHERRCAXZDFI-GOSISDBHSA-N 1 0 420.557 4.037 40 0 HIABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CC[N@@H+](C4CCOCC4)C3)nn21 ZINC000019344228 558872751 /nfs/dbraw/zinc/87/27/51/558872751.db2.gz YJICQAHONGZMOX-ZDUSSCGKSA-N 1 0 422.476 4.445 40 0 HIABRO OC1(c2nccn2Cc2ccccc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019372909 558880037 /nfs/dbraw/zinc/88/00/37/558880037.db2.gz KRBSCMXKDAZHCG-OFFJZUQKSA-N 1 0 405.517 4.190 40 0 HIABRO CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019521360 558902656 /nfs/dbraw/zinc/90/26/56/558902656.db2.gz SZDUQLMWOWDVHE-SQJMNOBHSA-N 1 0 403.526 4.419 40 0 HIABRO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019528752 558910185 /nfs/dbraw/zinc/91/01/85/558910185.db2.gz XBQRHRNHLSZMEG-AREMUKBSSA-N 1 0 414.553 4.105 40 0 HIABRO CCOc1cc2c(cc1C[NH+]1CCC([C@@H](NC(C)=O)c3ccccn3)CC1)CCC2 ZINC000019532449 558912624 /nfs/dbraw/zinc/91/26/24/558912624.db2.gz NTGWOGGNNDRQOH-RUZDIDTESA-N 1 0 407.558 4.058 40 0 HIABRO C[NH+]1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2N)CC1 ZINC000072229428 558932034 /nfs/dbraw/zinc/93/20/34/558932034.db2.gz UBLHUJXRGIJXLV-UHFFFAOYSA-N 1 0 413.736 4.233 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019580444 558935983 /nfs/dbraw/zinc/93/59/83/558935983.db2.gz GBWRPYYAFQUIMU-DEOSSOPVSA-N 1 0 405.567 4.333 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c(F)c1 ZINC000019584576 558938642 /nfs/dbraw/zinc/93/86/42/558938642.db2.gz AHIWRZPWKNYFIJ-LJQANCHMSA-N 1 0 421.520 4.132 40 0 HIABRO CCCc1ncc(C[NH+]2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)cn1 ZINC000072340802 558939361 /nfs/dbraw/zinc/93/93/61/558939361.db2.gz IANMJIWRTSWBCF-UHFFFAOYSA-N 1 0 418.467 4.179 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345548 558942045 /nfs/dbraw/zinc/94/20/45/558942045.db2.gz AABPBTGUUAQFAZ-NRFANRHFSA-N 1 0 418.516 4.234 40 0 HIABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](CCCc2ccccc2)C1 ZINC000019591657 558942406 /nfs/dbraw/zinc/94/24/06/558942406.db2.gz XBBFWXPPYWAGCK-MHZLTWQESA-N 1 0 413.565 4.362 40 0 HIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](CCCc2ccccc2)C1 ZINC000019591656 558942458 /nfs/dbraw/zinc/94/24/58/558942458.db2.gz XBBFWXPPYWAGCK-HHHXNRCGSA-N 1 0 413.565 4.362 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(OC)c3)n2)C1 ZINC000072350268 558947240 /nfs/dbraw/zinc/94/72/40/558947240.db2.gz OSIXGGKJARODOX-HXUWFJFHSA-N 1 0 402.542 4.497 40 0 HIABRO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cccnc2N(C)C)C1 ZINC000072352307 558948569 /nfs/dbraw/zinc/94/85/69/558948569.db2.gz RRJUZMWCJYYYOA-KRWDZBQOSA-N 1 0 422.598 4.490 40 0 HIABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352539 558949001 /nfs/dbraw/zinc/94/90/01/558949001.db2.gz LRMLMXLUVIWHOU-MRXNPFEDSA-N 1 0 418.566 4.479 40 0 HIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](c2cc(-c3cnc(N)nc3)cc(C)n2)C1 ZINC000072353743 558950870 /nfs/dbraw/zinc/95/08/70/558950870.db2.gz HMFVVGKTISXDCI-GOSISDBHSA-N 1 0 403.530 4.126 40 0 HIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H](c2cc(-c3cnc(N)nc3)cc(C)n2)C1 ZINC000072353742 558950894 /nfs/dbraw/zinc/95/08/94/558950894.db2.gz HMFVVGKTISXDCI-SFHVURJKSA-N 1 0 403.530 4.126 40 0 HIABRO CCN(CC)C(=O)C[NH+]1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359384 558955014 /nfs/dbraw/zinc/95/50/14/558955014.db2.gz DFPLBRSSYNFNGX-UHFFFAOYSA-N 1 0 420.479 4.210 40 0 HIABRO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3CC(=O)N3CCC(C)CC3)c2)s1 ZINC000072372496 558959946 /nfs/dbraw/zinc/95/99/46/558959946.db2.gz JGMLFDXQTGEGSZ-FQEVSTJZSA-N 1 0 413.591 4.294 40 0 HIABRO Cc1ccn(CCC(=O)N2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)n1 ZINC000072374943 558963242 /nfs/dbraw/zinc/96/32/42/558963242.db2.gz WTUSCHRAFGOXRY-HXUWFJFHSA-N 1 0 418.545 4.138 40 0 HIABRO CN(C)c1ncc(-c2cncnc2)c(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000019694844 558963545 /nfs/dbraw/zinc/96/35/45/558963545.db2.gz OFHCONNKWAONQS-UHFFFAOYSA-N 1 0 408.937 4.033 40 0 HIABRO CCn1nc(C)c(C[NH+]2CCC([C@H]3CC=CCN(Cc4ccccc4)C3=O)CC2)c1C ZINC000019698457 558966002 /nfs/dbraw/zinc/96/60/02/558966002.db2.gz XWDFJMNYHJPEKT-XMMPIXPASA-N 1 0 420.601 4.337 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072394030 558973305 /nfs/dbraw/zinc/97/33/05/558973305.db2.gz CJDHMNRHOPEJQC-DEOSSOPVSA-N 1 0 423.488 4.264 40 0 HIABRO COc1cccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1OC ZINC000072397155 558975704 /nfs/dbraw/zinc/97/57/04/558975704.db2.gz UBWBJGYYHRDTTP-CQSZACIVSA-N 1 0 420.435 4.063 40 0 HIABRO COc1cccc([C@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000072399265 558976908 /nfs/dbraw/zinc/97/69/08/558976908.db2.gz NUFVWRDGQUSDGS-HSZRJFAPSA-N 1 0 408.542 4.280 40 0 HIABRO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1 ZINC000019717156 558979497 /nfs/dbraw/zinc/97/94/97/558979497.db2.gz BWUUTEXDEPWFGH-IBGZPJMESA-N 1 0 405.542 4.436 40 0 HIABRO COc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CC[C@@H]32)c1 ZINC000585108015 559029789 /nfs/dbraw/zinc/02/97/89/559029789.db2.gz VQXUBBLJQLLBSV-MKWLTTDUSA-N 1 0 410.945 4.185 40 0 HIABRO CC[NH+](CC)CCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1CCOC ZINC000096037331 559091048 /nfs/dbraw/zinc/09/10/48/559091048.db2.gz GCPMEIBVSGPJLY-UHFFFAOYSA-N 1 0 412.578 4.285 40 0 HIABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3ccco3)CC1)nc2-c1cnn(C)c1 ZINC000096100043 559095387 /nfs/dbraw/zinc/09/53/87/559095387.db2.gz GLASVEZRCHKEHS-UHFFFAOYSA-N 1 0 404.518 4.385 40 0 HIABRO O=S1(=O)c2ccccc2[C@@]2(CC[N@H+](Cc3ccccc3)C2)N1Cc1ccc(F)cc1 ZINC000096261955 559106219 /nfs/dbraw/zinc/10/62/19/559106219.db2.gz IGDDEWAEVXYVHD-DEOSSOPVSA-N 1 0 422.525 4.131 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)cc1 ZINC000585274257 559118732 /nfs/dbraw/zinc/11/87/32/559118732.db2.gz USXMUYVVPYCLHY-QHCPKHFHSA-N 1 0 416.949 4.403 40 0 HIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000257234722 559284121 /nfs/dbraw/zinc/28/41/21/559284121.db2.gz GUVYIVUVAAOYPV-QHCPKHFHSA-N 1 0 420.553 4.125 40 0 HIABRO CN1C(=O)CCC[C@]12C[N@H+](Cc1ccccc1N1CCCC1)C[C@H]2c1ccc(F)cc1 ZINC000257234938 559284145 /nfs/dbraw/zinc/28/41/45/559284145.db2.gz GVRJBBBOMDWYEA-JYFHCDHNSA-N 1 0 421.560 4.406 40 0 HIABRO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000000880641 560539655 /nfs/dbraw/zinc/53/96/55/560539655.db2.gz VDAJAGXTTMONJC-UHFFFAOYSA-N 1 0 422.598 4.214 40 0 HIABRO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000880621 560539672 /nfs/dbraw/zinc/53/96/72/560539672.db2.gz YRPDNQDDLGYCPQ-UHFFFAOYSA-N 1 0 422.598 4.214 40 0 HIABRO COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2oc3ccccc3c21 ZINC000094992743 560556086 /nfs/dbraw/zinc/55/60/86/560556086.db2.gz FGBPJNVKIGLYAU-QGZVFWFLSA-N 1 0 407.466 4.003 40 0 HIABRO Cc1cccc2cc(CN(CC[NH+]3CCCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c12 ZINC000004231195 560602966 /nfs/dbraw/zinc/60/29/66/560602966.db2.gz KENDMLFVDPNIRT-UHFFFAOYSA-N 1 0 422.504 4.106 40 0 HIABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000004231334 560603094 /nfs/dbraw/zinc/60/30/94/560603094.db2.gz DOBABZWCWRIMRZ-UHFFFAOYSA-N 1 0 412.921 4.086 40 0 HIABRO C=C1[NH+]=C(SCC(=O)Nc2cccc(C)c2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408991036 560662265 /nfs/dbraw/zinc/66/22/65/560662265.db2.gz PLKUBKLMDIHQGY-OAQYLSRUSA-N 1 0 423.538 4.204 40 0 HIABRO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(OC)c1OC ZINC000012481442 560780610 /nfs/dbraw/zinc/78/06/10/560780610.db2.gz QYUQTSDHYDROTL-SEJPIABJSA-N 1 0 424.541 4.028 40 0 HIABRO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1CC(C)(C)C2 ZINC000004981199 568430291 /nfs/dbraw/zinc/43/02/91/568430291.db2.gz AQEBUGFWZCHVIQ-HIFRSBDPSA-N 1 0 417.937 4.447 40 0 HIABRO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000006591216 568456209 /nfs/dbraw/zinc/45/62/09/568456209.db2.gz LECWXRCCRNHFDU-FPTDNZKUSA-N 1 0 417.937 4.447 40 0 HIABRO CC[NH+](CC)CCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022075134 568473918 /nfs/dbraw/zinc/47/39/18/568473918.db2.gz VAHNAHRECDTITA-UHFFFAOYSA-N 1 0 421.379 4.468 40 0 HIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCCN3CCCc4ccccc43)cc2)CC1 ZINC000219237326 568488388 /nfs/dbraw/zinc/48/83/88/568488388.db2.gz FNMDMKAQDDCKIB-UHFFFAOYSA-N 1 0 405.586 4.491 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCN3CCCc4ccccc43)CC2)cc1 ZINC000219409795 568491358 /nfs/dbraw/zinc/49/13/58/568491358.db2.gz MKCGZBXPTIRGBD-UHFFFAOYSA-N 1 0 405.586 4.166 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000219407220 568491388 /nfs/dbraw/zinc/49/13/88/568491388.db2.gz BWICMYWXWHHEHL-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCCN3CCCc4ccccc43)CC2)c1 ZINC000219408012 568491427 /nfs/dbraw/zinc/49/14/27/568491427.db2.gz QYBQYWMSOAALCX-UHFFFAOYSA-N 1 0 405.586 4.166 40 0 HIABRO Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223235230 568541922 /nfs/dbraw/zinc/54/19/22/568541922.db2.gz RQZBFGQZPZBQLB-PKTZIBPZSA-N 1 0 419.598 4.105 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223241293 568542260 /nfs/dbraw/zinc/54/22/60/568542260.db2.gz RSCJKIGNNIPBSD-VXKWHMMOSA-N 1 0 406.555 4.266 40 0 HIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000223282515 568544094 /nfs/dbraw/zinc/54/40/94/568544094.db2.gz INROMTFINLPFDC-LEWJYISDSA-N 1 0 424.595 4.360 40 0 HIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000223282399 568544109 /nfs/dbraw/zinc/54/41/09/568544109.db2.gz INROMTFINLPFDC-SFTDATJTSA-N 1 0 424.595 4.360 40 0 HIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223283275 568544134 /nfs/dbraw/zinc/54/41/34/568544134.db2.gz UPQSLZJURPDHBY-NHCUHLMSSA-N 1 0 410.518 4.015 40 0 HIABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C ZINC000223948504 568564120 /nfs/dbraw/zinc/56/41/20/568564120.db2.gz SMULFVHXXVSEEY-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224536008 568584009 /nfs/dbraw/zinc/58/40/09/568584009.db2.gz YVXTULXGGCYKNK-UHFFFAOYSA-N 1 0 407.341 4.401 40 0 HIABRO COc1cc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C(C)C ZINC000224803516 568597546 /nfs/dbraw/zinc/59/75/46/568597546.db2.gz RKMKGMGYLINTBI-UHFFFAOYSA-N 1 0 416.587 4.201 40 0 HIABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000225580069 568653758 /nfs/dbraw/zinc/65/37/58/568653758.db2.gz WCSIWYCIQAIGKT-UHFFFAOYSA-N 1 0 416.949 4.357 40 0 HIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225586151 568654904 /nfs/dbraw/zinc/65/49/04/568654904.db2.gz WPSYYBMFLNTWOA-OAQYLSRUSA-N 1 0 424.004 4.462 40 0 HIABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 ZINC000225745650 568670756 /nfs/dbraw/zinc/67/07/56/568670756.db2.gz NGHUABJZEUYKCW-QHCPKHFHSA-N 1 0 406.567 4.102 40 0 HIABRO CC(C)[NH+](CCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1)C(C)C ZINC000257202328 568776708 /nfs/dbraw/zinc/77/67/08/568776708.db2.gz ALHRQEJNHBCBSL-UHFFFAOYSA-N 1 0 423.601 4.323 40 0 HIABRO COCC(=O)N1CCC2(C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2c2ccccc2)CC1 ZINC000257203136 568776899 /nfs/dbraw/zinc/77/68/99/568776899.db2.gz AOVGBRUEMGRSHE-JOCHJYFZSA-N 1 0 412.961 4.195 40 0 HIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C3CCCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257225320 568783565 /nfs/dbraw/zinc/78/35/65/568783565.db2.gz FFSIXCPCCYCXKL-HSZRJFAPSA-N 1 0 423.605 4.417 40 0 HIABRO O=C(NCC[C@H]1CCCC[N@@H+]1Cc1cccc(Oc2ncccn2)c1)c1ccccc1 ZINC000257228844 568784508 /nfs/dbraw/zinc/78/45/08/568784508.db2.gz FVNSILRLXDLARV-JOCHJYFZSA-N 1 0 416.525 4.444 40 0 HIABRO CNC(=O)c1cnn([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccc4OC)c3)CC2)c1 ZINC000257232311 568785369 /nfs/dbraw/zinc/78/53/69/568785369.db2.gz GKHZIFZOEPLSNB-JOCHJYFZSA-N 1 0 418.541 4.146 40 0 HIABRO 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 568788121 /nfs/dbraw/zinc/78/81/21/568788121.db2.gz ICJYKICLZRPTDJ-VABKMULXSA-N 1 0 422.569 4.025 40 0 HIABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnc(Cc2ccc(F)cc2)c1 ZINC000257267169 568794740 /nfs/dbraw/zinc/79/47/40/568794740.db2.gz MGFDFKHVXPGOBR-ONTNHIFESA-N 1 0 407.533 4.289 40 0 HIABRO COc1cccc(C[NH+]2CCC(c3cncc(Nc4nc(C)cc(C)n4)n3)CC2)c1 ZINC000257268665 568795169 /nfs/dbraw/zinc/79/51/69/568795169.db2.gz MMQBZAQHNKNILC-UHFFFAOYSA-N 1 0 404.518 4.015 40 0 HIABRO COc1ccccc1OCCc1cc([C@@H]2C[N@H+](CC3CCCCC3)CCO2)nn1C ZINC000257286640 568800425 /nfs/dbraw/zinc/80/04/25/568800425.db2.gz PMIMFPWSBQFQED-DEOSSOPVSA-N 1 0 413.562 4.004 40 0 HIABRO COc1ccc(CC[NH+]2CCC(c3cc(Nc4ncccn4)cc(C)n3)CC2)cc1 ZINC000257290750 568801685 /nfs/dbraw/zinc/80/16/85/568801685.db2.gz QEDWDBZSOPWPSY-UHFFFAOYSA-N 1 0 403.530 4.354 40 0 HIABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257301372 568804914 /nfs/dbraw/zinc/80/49/14/568804914.db2.gz RYFHLMJNVZPTPN-HXUWFJFHSA-N 1 0 424.564 4.213 40 0 HIABRO CCOc1ccc(C[NH+](C)C)cc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O ZINC000257304975 568805919 /nfs/dbraw/zinc/80/59/19/568805919.db2.gz SNXRYIQZPGRKDU-GNCQFOQZSA-N 1 0 414.590 4.165 40 0 HIABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4ccc(N)nc4)C3)c2)cc1 ZINC000257307110 568806622 /nfs/dbraw/zinc/80/66/22/568806622.db2.gz SXGYJTGIHRJLOZ-GOSISDBHSA-N 1 0 417.513 4.139 40 0 HIABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4cnc(C)nc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257335172 568814626 /nfs/dbraw/zinc/81/46/26/568814626.db2.gz YIYFJCRXSQLVIS-JTHBVZDNSA-N 1 0 423.557 4.325 40 0 HIABRO COc1cccc(C[N@@H+]2CC[C@]3(C2)CCc2nc(-c4ccccc4)cc(=O)n2CC3)c1 ZINC000306127836 568890816 /nfs/dbraw/zinc/89/08/16/568890816.db2.gz GISYRDOTWKTODJ-AREMUKBSSA-N 1 0 415.537 4.148 40 0 HIABRO O=C1N(Cc2cccs2)CC[C@]12C[N@H+](Cc1ccccc1)C[C@@H]2c1nccs1 ZINC000306128662 568891458 /nfs/dbraw/zinc/89/14/58/568891458.db2.gz HHTRHXBPXRUMCB-DENIHFKCSA-N 1 0 409.580 4.223 40 0 HIABRO COCCn1cnc2c1C1(CC[NH+](Cc3ccccc3F)CC1)Oc1ccccc1-2 ZINC000306138728 568900676 /nfs/dbraw/zinc/90/06/76/568900676.db2.gz SFUJJWQPPTVRTC-UHFFFAOYSA-N 1 0 407.489 4.219 40 0 HIABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)nn2c1 ZINC000306138964 568900815 /nfs/dbraw/zinc/90/08/15/568900815.db2.gz SLUOEQDXZUHXFW-LJQANCHMSA-N 1 0 417.488 4.319 40 0 HIABRO c1csc(C[N@H+]2CC[C@@]3(C2)CO[C@H](c2ccccc2)CN3Cc2ccccn2)c1 ZINC000306140614 568902390 /nfs/dbraw/zinc/90/23/90/568902390.db2.gz UYYUSEUTXQTNPQ-BJKOFHAPSA-N 1 0 405.567 4.361 40 0 HIABRO c1csc(C[N@H+]2CC[C@]3(C2)CO[C@@H](c2ccccc2)CN3Cc2ccccn2)c1 ZINC000306140616 568902405 /nfs/dbraw/zinc/90/24/05/568902405.db2.gz UYYUSEUTXQTNPQ-RPWUZVMVSA-N 1 0 405.567 4.361 40 0 HIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccco5)C4)nn3c2)c1OC ZINC000306141534 568902981 /nfs/dbraw/zinc/90/29/81/568902981.db2.gz VZIFZKSAAHMDEO-SFHVURJKSA-N 1 0 418.497 4.386 40 0 HIABRO Cc1ccc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306142865 568904495 /nfs/dbraw/zinc/90/44/95/568904495.db2.gz XMVHQCGBCQGBTQ-QFIPXVFZSA-N 1 0 403.555 4.255 40 0 HIABRO Cc1cc(C)cc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144597 568906081 /nfs/dbraw/zinc/90/60/81/568906081.db2.gz ZJUOGLCXDSJIQH-ZEQKJWHPSA-N 1 0 420.601 4.309 40 0 HIABRO C[NH+](C)CCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccc2)n1 ZINC000328957002 568969475 /nfs/dbraw/zinc/96/94/75/568969475.db2.gz AINBCLIKYQCNNH-UHFFFAOYSA-N 1 0 402.329 4.011 40 0 HIABRO C[NH+](C)CCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)n1 ZINC000328962480 568969950 /nfs/dbraw/zinc/96/99/50/568969950.db2.gz BIDLFZDQEMKBBE-UHFFFAOYSA-N 1 0 402.329 4.011 40 0 HIABRO C[C@H](C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000248137623 569316402 /nfs/dbraw/zinc/31/64/02/569316402.db2.gz AOUGWCHXBKCHMN-LFAGZIFBSA-N 1 0 414.553 4.463 40 0 HIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@H](NC(=O)[C@H]2CCCO2)c2ccccn2)C1 ZINC000248166474 569316475 /nfs/dbraw/zinc/31/64/75/569316475.db2.gz ONUZYKQENOTARR-JBPNDBFZSA-N 1 0 419.569 4.233 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2)cc1 ZINC000009063178 569342318 /nfs/dbraw/zinc/34/23/18/569342318.db2.gz AKCCGWMSSUWUPO-UHFFFAOYSA-N 1 0 407.558 4.374 40 0 HIABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063142 569342360 /nfs/dbraw/zinc/34/23/60/569342360.db2.gz DHXGGASSWFJNTF-IBGZPJMESA-N 1 0 407.558 4.374 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)cc1 ZINC000012408196 569344829 /nfs/dbraw/zinc/34/48/29/569344829.db2.gz KKFFWSRPMWWKBY-PZJWPPBQSA-N 1 0 413.587 4.411 40 0 HIABRO COc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OCc1ccccn1 ZINC000019662982 569345825 /nfs/dbraw/zinc/34/58/25/569345825.db2.gz VOPWUBMBBOMTSN-HSZRJFAPSA-N 1 0 403.526 4.158 40 0 HIABRO Cc1nc([C@@]2(O)CCC[N@H+](CC3CC3)CC2)sc1CCOc1ccccc1F ZINC000019738675 569348491 /nfs/dbraw/zinc/34/84/91/569348491.db2.gz NILUFVWLXXJQPL-JOCHJYFZSA-N 1 0 404.551 4.296 40 0 HIABRO COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908472 569352069 /nfs/dbraw/zinc/35/20/69/569352069.db2.gz LCTBWTLRTGOEFU-MJGOQNOKSA-N 1 0 416.949 4.144 40 0 HIABRO COc1ccc(C[NH+]2CCC(Cc3cccc(-c4ccncc4)c3)(C(N)=O)CC2)cc1 ZINC000019700475 569428754 /nfs/dbraw/zinc/42/87/54/569428754.db2.gz BBQUIMJYALYXSP-UHFFFAOYSA-N 1 0 415.537 4.067 40 0 HIABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(Cc1ccc(-c3cccc(F)c3)cc1)C2 ZINC000019707455 569428944 /nfs/dbraw/zinc/42/89/44/569428944.db2.gz ILZIYAOTVKYNEL-JOCHJYFZSA-N 1 0 417.532 4.307 40 0 HIABRO Cc1cnc(Nc2nc(C3CC[NH+](Cc4cccnc4)CC3)cn3cccc23)s1 ZINC000585263127 571309539 /nfs/dbraw/zinc/30/95/39/571309539.db2.gz NNNJIQITJONZSO-UHFFFAOYSA-N 1 0 404.543 4.617 40 0 HIABRO Cc1nc(-c2cccs2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)n1 ZINC000015672548 291268562 /nfs/dbraw/zinc/26/85/62/291268562.db2.gz UPDCEOHKRCPDKM-ZCNNSNEGSA-N 1 0 418.566 4.121 40 0 biogenic,in-vitro HIABRO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000005411071 291270680 /nfs/dbraw/zinc/27/06/80/291270680.db2.gz FZOPDMKRYRAVNW-FUHWJXTLSA-N 1 0 406.551 4.328 40 0 biogenic,in-vitro HIABRO CC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CC=C(c4ccc(Cl)cc4)CC3)ccc21 ZINC000012291274 132357980 /nfs/dbraw/zinc/35/79/80/132357980.db2.gz YRIMDMHDNXVETN-DEOSSOPVSA-N 1 0 410.945 4.462 40 0 HIABRO O=C(C1CCCC1)N1CCCc2cc([C@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291642 132358022 /nfs/dbraw/zinc/35/80/22/132358022.db2.gz VNTASUSXQLMGDN-OAQYLSRUSA-N 1 0 424.507 4.464 40 0 HIABRO COc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ccc1OC(C)C ZINC000044905278 522425781 /nfs/dbraw/zinc/42/57/81/522425781.db2.gz WAHONZFSQLQZGQ-HXUWFJFHSA-N 1 0 414.521 4.150 40 0 HIABRO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044852563 525304876 /nfs/dbraw/zinc/30/48/76/525304876.db2.gz DCNNNEGZDHAMAZ-GOSISDBHSA-N 1 0 400.950 4.444 40 0 HIABRO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)[nH+]1 ZINC000072372487 525307873 /nfs/dbraw/zinc/30/78/73/525307873.db2.gz AVGHZFPIMVHBMT-OAQYLSRUSA-N 1 0 405.477 4.443 40 0 HIABRO NC(=O)c1cc([C@H]2CC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)nc2ccccc21 ZINC000019761077 527033897 /nfs/dbraw/zinc/03/38/97/527033897.db2.gz RTEWEUPDGCFUGQ-FQEVSTJZSA-N 1 0 408.505 4.385 40 0 HIABRO O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408608971 557532224 /nfs/dbraw/zinc/53/22/24/557532224.db2.gz NGTGAVOJVIUJOO-UHFFFAOYSA-N 1 0 418.990 4.407 40 0 HIABRO COC(=O)[C@H](N)CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005084774 557634587 /nfs/dbraw/zinc/63/45/87/557634587.db2.gz ISIRXSKPVUCIGF-XMMPIXPASA-N 1 0 402.538 4.239 40 0 HIABRO Clc1ccc(OCc2nnc(SCC[NH+]3CCCC3)n2Cc2ccco2)cc1 ZINC000035291598 557679399 /nfs/dbraw/zinc/67/93/99/557679399.db2.gz UIQRIPAMVVYWJN-UHFFFAOYSA-N 1 0 418.950 4.340 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000006458283 557703544 /nfs/dbraw/zinc/70/35/44/557703544.db2.gz ZTMSRWLYQRFLAO-XMMPIXPASA-N 1 0 406.570 4.389 40 0 HIABRO Cc1ncccc1C(=O)N1CCC(c2[nH+]c3ccc(F)cn3c2NC(C)(C)C)CC1 ZINC000012087482 558322283 /nfs/dbraw/zinc/32/22/83/558322283.db2.gz URTUZHDIGAYPGK-UHFFFAOYSA-N 1 0 409.509 4.407 40 0 HIABRO COc1ccccc1[C@@H](CNc1c(C)c(C)nc2cc(-c3cc(C)on3)nn21)[NH+](C)C ZINC000012251566 558362183 /nfs/dbraw/zinc/36/21/83/558362183.db2.gz ZGDPJRWJKHKXAH-HXUWFJFHSA-N 1 0 420.517 4.033 40 0 HIABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3cn(C)c4ccccc34)CC1)O2 ZINC000012293231 558366181 /nfs/dbraw/zinc/36/61/81/558366181.db2.gz PNNVNLRAGDFVGI-BJKOFHAPSA-N 1 0 420.553 4.179 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2ccccc2c1 ZINC000012293610 558366726 /nfs/dbraw/zinc/36/67/26/558366726.db2.gz QMYBZWVMAPMUMF-GOTSBHOMSA-N 1 0 407.485 4.363 40 0 HIABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293595 558366835 /nfs/dbraw/zinc/36/68/35/558366835.db2.gz HPGDXKTYZHAPDB-BJKOFHAPSA-N 1 0 419.521 4.233 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc(F)cc1 ZINC000012293767 558367067 /nfs/dbraw/zinc/36/70/67/558367067.db2.gz VRURWJBJLQCDKA-DHIUTWEWSA-N 1 0 407.485 4.363 40 0 HIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)C1 ZINC000020492797 558378699 /nfs/dbraw/zinc/37/86/99/558378699.db2.gz SUCALXGJYSUDKI-NHCUHLMSSA-N 1 0 405.586 4.347 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330275 558385380 /nfs/dbraw/zinc/38/53/80/558385380.db2.gz JCDLAXWECMEKAP-GOTSBHOMSA-N 1 0 411.517 4.089 40 0 HIABRO CCOc1nc2ccc(N[C@H](C)CN3CC[NH+](CCc4ccccc4)CC3)cc2s1 ZINC000022859002 558517608 /nfs/dbraw/zinc/51/76/08/558517608.db2.gz FRGQJVICSVLKGH-LJQANCHMSA-N 1 0 424.614 4.356 40 0 HIABRO CC(C)(C)Cc1cnc(Nc2cccc(C3CCN(C(=O)C(C)(C)[NH3+])CC3)n2)s1 ZINC000143122877 558673660 /nfs/dbraw/zinc/67/36/60/558673660.db2.gz CVVNOVWTRVQECM-UHFFFAOYSA-N 1 0 415.607 4.314 40 0 HIABRO COc1cc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)ccc1OC(C)C ZINC000039771984 558686278 /nfs/dbraw/zinc/68/62/78/558686278.db2.gz YFMMEOIDRSKDOQ-UHFFFAOYSA-N 1 0 414.521 4.150 40 0 HIABRO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039755046 558687479 /nfs/dbraw/zinc/68/74/79/558687479.db2.gz SUESQLWXLNKZLD-UHFFFAOYSA-N 1 0 413.949 4.329 40 0 HIABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000028614972 558702359 /nfs/dbraw/zinc/70/23/59/558702359.db2.gz VTFVFBJMJCVOSM-LJQANCHMSA-N 1 0 423.384 4.481 40 0 HIABRO CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030939459 558745357 /nfs/dbraw/zinc/74/53/57/558745357.db2.gz UENNTNCLBQYKOA-GOSISDBHSA-N 1 0 413.949 4.331 40 0 HIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000035316918 558790043 /nfs/dbraw/zinc/79/00/43/558790043.db2.gz JZYGNAKAVWWKPC-UHFFFAOYSA-N 1 0 402.420 4.108 40 0 HIABRO Cc1cc2c(cc1Cl)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125639 558844641 /nfs/dbraw/zinc/84/46/41/558844641.db2.gz XHOOPBOIMCWNOQ-PMACEKPBSA-N 1 0 423.887 4.311 40 0 HIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3ccc(C)s3)C1)O2 ZINC000019217192 558850654 /nfs/dbraw/zinc/85/06/54/558850654.db2.gz MXSHNTGVESUWCV-MBSDFSHPSA-N 1 0 414.571 4.087 40 0 HIABRO Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)c1 ZINC000019234413 558853769 /nfs/dbraw/zinc/85/37/69/558853769.db2.gz OTEIEXNIOOWHHK-QFIPXVFZSA-N 1 0 420.557 4.159 40 0 HIABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cccc(C)c3OC)C2)nc(-c2cccnc2)n1 ZINC000019235972 558855168 /nfs/dbraw/zinc/85/51/68/558855168.db2.gz IZJIVIQCEJQDMO-LJQANCHMSA-N 1 0 403.530 4.277 40 0 HIABRO Cn1cc(Cl)c(C(=O)NC2CC[NH+](CC3(c4ccc(Cl)cc4)CCC3)CC2)n1 ZINC000019290014 558862465 /nfs/dbraw/zinc/86/24/65/558862465.db2.gz POIIXAXRWCFFLR-UHFFFAOYSA-N 1 0 421.372 4.043 40 0 HIABRO OC1(c2nccn2Cc2ccccc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000019372911 558880161 /nfs/dbraw/zinc/88/01/61/558880161.db2.gz CLBXMWXQPOAYHM-OFFJZUQKSA-N 1 0 405.517 4.190 40 0 HIABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449613 558888250 /nfs/dbraw/zinc/88/82/50/558888250.db2.gz YOYOYNMDUAMRBR-SANMLTNESA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449643 558888288 /nfs/dbraw/zinc/88/82/88/558888288.db2.gz XQIYDXYRDGZGHX-AREMUKBSSA-N 1 0 414.553 4.103 40 0 HIABRO CCC[NH+]1CCC(N2CCC[C@@H]2c2cc3nc(CC)cc(C(F)(F)F)n3n2)CC1 ZINC000019502625 558900048 /nfs/dbraw/zinc/90/00/48/558900048.db2.gz UMLCINHOAMCOBX-GOSISDBHSA-N 1 0 409.500 4.322 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502942 558900300 /nfs/dbraw/zinc/90/03/00/558900300.db2.gz LNFLQZXLWMAIBI-DEOSSOPVSA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503348 558900653 /nfs/dbraw/zinc/90/06/53/558900653.db2.gz YMTPBNDIYPESME-QHCPKHFHSA-N 1 0 414.553 4.057 40 0 HIABRO CCOCc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)ccc1OC ZINC000019531080 558911709 /nfs/dbraw/zinc/91/17/09/558911709.db2.gz TWYYOEFREHTZBM-KEVCNVLYSA-N 1 0 411.542 4.255 40 0 HIABRO COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000019566007 558925915 /nfs/dbraw/zinc/92/59/15/558925915.db2.gz VTGFTJPFOSVDII-LQWHRVPQSA-N 1 0 413.514 4.153 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)n1 ZINC000072330474 558934752 /nfs/dbraw/zinc/93/47/52/558934752.db2.gz MWVPOERFUCQGBG-NVQXNPDNSA-N 1 0 414.553 4.097 40 0 HIABRO C[NH+](C)CCOc1ccc([C@@](O)(c2ccccc2)[C@@H](CCO)c2ccccc2)cc1 ZINC000021297958 558935080 /nfs/dbraw/zinc/93/50/80/558935080.db2.gz CILUUGLLYLAHMG-UIOOFZCWSA-N 1 0 405.538 4.029 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341423 558939762 /nfs/dbraw/zinc/93/97/62/558939762.db2.gz UQPOIYUGEBOZJL-CTNGQTDRSA-N 1 0 413.587 4.411 40 0 HIABRO Cn1cc(C[NH+]2CCC(c3cncc(-c4cccc(C(F)(F)F)c4)n3)CC2)cn1 ZINC000072359732 558955443 /nfs/dbraw/zinc/95/54/43/558955443.db2.gz UNLQONFRRKCFOS-UHFFFAOYSA-N 1 0 401.436 4.276 40 0 HIABRO CCc1ncc(C[N@@H+]2CCCC[C@@H]2Cc2c3ccccc3sc2C(=O)NC)cn1 ZINC000072370483 558956813 /nfs/dbraw/zinc/95/68/13/558956813.db2.gz CKUFPWCWFAMPQH-QGZVFWFLSA-N 1 0 408.571 4.211 40 0 HIABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000019693963 558961853 /nfs/dbraw/zinc/96/18/53/558961853.db2.gz JSUJOSYZNFARSP-LJQANCHMSA-N 1 0 422.552 4.253 40 0 HIABRO CNc1ncccc1C[NH+]1CCC(c2nc(N(C)C)ncc2-c2cccc(F)c2)CC1 ZINC000072376685 558966126 /nfs/dbraw/zinc/96/61/26/558966126.db2.gz CGPAOELNEPHKPK-UHFFFAOYSA-N 1 0 420.536 4.165 40 0 HIABRO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccncc4)C3)[nH]n2)c1 ZINC000072380046 558967995 /nfs/dbraw/zinc/96/79/95/558967995.db2.gz LLGIBKWGAKFFFF-KRWDZBQOSA-N 1 0 416.447 4.435 40 0 HIABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC1CCCC1 ZINC000072392537 558972065 /nfs/dbraw/zinc/97/20/65/558972065.db2.gz UJVHZGZVTMXVPJ-HXAGEGRHSA-N 1 0 422.569 4.450 40 0 HIABRO Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)ncn4C)sc2C[NH+](C)C)cc1 ZINC000019718417 558981873 /nfs/dbraw/zinc/98/18/73/558981873.db2.gz OIOZIIMRNMUTNJ-UHFFFAOYSA-N 1 0 405.527 4.319 40 0 HIABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](Cc2sc(C)nc2C)CC3)cs1 ZINC000585100253 559023789 /nfs/dbraw/zinc/02/37/89/559023789.db2.gz IXRHDHAEKKHSJA-HXUWFJFHSA-N 1 0 404.605 4.072 40 0 HIABRO O=C(Cc1cccc(O)c1)N1CCC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100288 559023881 /nfs/dbraw/zinc/02/38/81/559023881.db2.gz AMVTVFBEEUSDEH-DEOSSOPVSA-N 1 0 414.496 4.260 40 0 HIABRO NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH+](Cc2ccncc2)CC1 ZINC000585166507 559067016 /nfs/dbraw/zinc/06/70/16/559067016.db2.gz VSVAOYONDZQQLT-UHFFFAOYSA-N 1 0 403.501 4.198 40 0 HIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052812 559092461 /nfs/dbraw/zinc/09/24/61/559092461.db2.gz BOQRHKCRMDILER-NRFANRHFSA-N 1 0 422.544 4.096 40 0 HIABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3cccnc3)CC1)nc2N1CCCC1 ZINC000096155630 559099721 /nfs/dbraw/zinc/09/97/21/559099721.db2.gz WAWXOKQRDHNNMW-UHFFFAOYSA-N 1 0 404.562 4.387 40 0 HIABRO C[C@H]1CCCCN1C(=O)c1ncn2c1nccc2C1CC[NH+](Cc2ccccc2)CC1 ZINC000096155697 559099884 /nfs/dbraw/zinc/09/98/84/559099884.db2.gz FKPKTIBJBAZISO-IBGZPJMESA-N 1 0 417.557 4.124 40 0 HIABRO O=C1CO[C@]2(CN1c1ccc(F)cc1)CCC[N@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000585261771 559109344 /nfs/dbraw/zinc/10/93/44/559109344.db2.gz IRLXEEJBOKLNAX-XMMPIXPASA-N 1 0 407.489 4.095 40 0 HIABRO O[C@@]1(COc2cc(F)cc(F)c2)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585283609 559120785 /nfs/dbraw/zinc/12/07/85/559120785.db2.gz SLIAYDACDQZXCX-ZFJSRUIDSA-N 1 0 417.496 4.133 40 0 HIABRO CC(C)C(=[NH2+])N[C@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003109674 559160385 /nfs/dbraw/zinc/16/03/85/559160385.db2.gz YRKVRPKFZPXUKV-GFCCVEGCSA-N 1 0 415.546 4.098 40 0 HIABRO Cc1noc(C)c1COc1ccc(C[N@H+](C)C[C@H](O)COC2CCCCC2)cc1 ZINC000257221151 559283570 /nfs/dbraw/zinc/28/35/70/559283570.db2.gz DNSIIBSDMPUXCP-FQEVSTJZSA-N 1 0 402.535 4.012 40 0 HIABRO COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000514290057 560030872 /nfs/dbraw/zinc/03/08/72/560030872.db2.gz WHGBPTYIJJBQPQ-KYPHJKQUSA-N 1 0 422.569 4.068 40 0 biogenic,in-vitro HIABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccccc1 ZINC000004127876 560599256 /nfs/dbraw/zinc/59/92/56/560599256.db2.gz UUULVXFOSPOAGP-UHFFFAOYSA-N 1 0 422.598 4.377 40 0 HIABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000004231333 560603102 /nfs/dbraw/zinc/60/31/02/560603102.db2.gz XEFBBHDDKYNEOJ-UHFFFAOYSA-N 1 0 412.921 4.086 40 0 HIABRO CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCC[NH+](CC)CC ZINC000004980384 560622899 /nfs/dbraw/zinc/62/28/99/560622899.db2.gz LFLMWPOVQFJGOQ-UHFFFAOYSA-N 1 0 411.550 4.038 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N[C@@H]4CCCC[C@H]4C)on3)C2)c1 ZINC000409412751 560722969 /nfs/dbraw/zinc/72/29/69/560722969.db2.gz JPEBFZYLMGIAJL-SLYNCCJLSA-N 1 0 411.546 4.371 40 0 HIABRO COc1ccc(-c2c[n+](CC(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)c3n2CCC3)cc1 ZINC000011582365 560772374 /nfs/dbraw/zinc/77/23/74/560772374.db2.gz OCSYXDGHNWBLSC-AAIMPIBUSA-N 1 0 411.566 4.401 40 0 HIABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@@H]21 ZINC000013992533 560831629 /nfs/dbraw/zinc/83/16/29/560831629.db2.gz UPSVTWZBYSGRDW-YYDVJCTNSA-N 1 0 424.932 4.437 40 0 HIABRO CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219964629 568500497 /nfs/dbraw/zinc/50/04/97/568500497.db2.gz JOJOPRIKSWERDI-UHFFFAOYSA-N 1 0 404.514 4.385 40 0 HIABRO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1C ZINC000223281246 568543993 /nfs/dbraw/zinc/54/39/93/568543993.db2.gz DSVINOHLVLXAFT-PKTZIBPZSA-N 1 0 419.598 4.023 40 0 HIABRO CC1CC[NH+](Cc2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)CC1 ZINC000224163568 568572062 /nfs/dbraw/zinc/57/20/62/568572062.db2.gz SJILCCPRJCHDHK-UHFFFAOYSA-N 1 0 406.570 4.397 40 0 HIABRO CCn1c(=O)sc2cc(NC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000225120073 568615560 /nfs/dbraw/zinc/61/55/60/568615560.db2.gz LPZDUSFRLYBMNV-INIZCTEOSA-N 1 0 413.518 4.073 40 0 HIABRO O=C(NCCNc1ccnc2cc(Cl)ccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225902171 568684773 /nfs/dbraw/zinc/68/47/73/568684773.db2.gz MHFXNEGLOUUYSD-IBGZPJMESA-N 1 0 422.960 4.329 40 0 HIABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc(Cc2ccc(F)cc2)nc1 ZINC000257208765 568778747 /nfs/dbraw/zinc/77/87/47/568778747.db2.gz BNNJFCCIUQKCEK-ONTNHIFESA-N 1 0 407.533 4.289 40 0 HIABRO O=C1CO[C@]2(CN1c1ccc(F)cc1)CCC[N@H+](Cc1ccnc3ccccc13)CC2 ZINC000257226885 568783875 /nfs/dbraw/zinc/78/38/75/568783875.db2.gz FMPOMBVBNVEVQM-RUZDIDTESA-N 1 0 419.500 4.162 40 0 HIABRO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257235800 568786377 /nfs/dbraw/zinc/78/63/77/568786377.db2.gz GZNGCFIXWQEVSA-VWLOTQADSA-N 1 0 407.558 4.025 40 0 HIABRO 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 568790511 /nfs/dbraw/zinc/79/05/11/568790511.db2.gz JOKBXZOXJBDCAA-UCKMRUJXSA-N 1 0 407.533 4.289 40 0 HIABRO Cc1nc(N)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257261709 568793259 /nfs/dbraw/zinc/79/32/59/568793259.db2.gz LIMUVJDEBWWEEN-BPJSAFFHSA-N 1 0 424.614 4.122 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257298943 568804238 /nfs/dbraw/zinc/80/42/38/568804238.db2.gz RNZSLYXAQLMHEA-NRFANRHFSA-N 1 0 424.564 4.167 40 0 HIABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)CC1 ZINC000257334434 568814452 /nfs/dbraw/zinc/81/44/52/568814452.db2.gz YFWBDKRYXRFRMP-IBGZPJMESA-N 1 0 410.537 4.463 40 0 HIABRO Cc1nc2c(n1C(C)C)CN(Cc1nccs1)CC21CC[NH+](CC(C)C)CC1 ZINC000306135842 568897825 /nfs/dbraw/zinc/89/78/25/568897825.db2.gz PCMGSTIASKPJFF-UHFFFAOYSA-N 1 0 401.624 4.234 40 0 HIABRO Cc1ccc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306142864 568904447 /nfs/dbraw/zinc/90/44/47/568904447.db2.gz XMVHQCGBCQGBTQ-JOCHJYFZSA-N 1 0 403.555 4.255 40 0 HIABRO Cc1ccsc1C[N@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306144785 568906318 /nfs/dbraw/zinc/90/63/18/568906318.db2.gz ZOKVUXPNVHPKFQ-CVDCTZTESA-N 1 0 412.603 4.062 40 0 HIABRO CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](c1ccc(C(F)(F)F)cc1)[NH2+]2 ZINC000306145332 568906463 /nfs/dbraw/zinc/90/64/63/568906463.db2.gz BPQFVOXIUDDJPT-MRXNPFEDSA-N 1 0 400.441 4.136 40 0 HIABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000027533991 568916648 /nfs/dbraw/zinc/91/66/48/568916648.db2.gz BHSZPOUQRCMKOD-GPUVRGFBSA-N 1 0 419.009 4.117 40 0 HIABRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023224610 569024584 /nfs/dbraw/zinc/02/45/84/569024584.db2.gz XPZYNXNJVXSWRE-MSYGRNIXSA-N 1 0 409.014 4.300 40 0 HIABRO 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 569058980 /nfs/dbraw/zinc/05/89/80/569058980.db2.gz JATBDXCMEJWEEG-XHIHJMKYSA-N 1 0 408.571 4.173 40 0 HIABRO COc1ccc(CCN(C(=O)c2ccc(F)cc2)C2=C[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1OC ZINC000005452546 569071935 /nfs/dbraw/zinc/07/19/35/569071935.db2.gz XQNYCULHMXKFNJ-LEWJYISDSA-N 1 0 424.516 4.278 40 0 HIABRO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2O1 ZINC000253594293 569318338 /nfs/dbraw/zinc/31/83/38/569318338.db2.gz WSBUQQOHDOYUOG-DHTSOJEISA-N 1 0 419.569 4.275 40 0 HIABRO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009063302 569342348 /nfs/dbraw/zinc/34/23/48/569342348.db2.gz PPZNMHLWPFEBQP-UHFFFAOYSA-N 1 0 415.940 4.040 40 0 HIABRO CCN(CC)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+]1Cc1ccccn1 ZINC000019696554 569346814 /nfs/dbraw/zinc/34/68/14/569346814.db2.gz ZRKMRHXMQOASFH-VWLOTQADSA-N 1 0 418.541 4.182 40 0 HIABRO COc1ccccc1C[NH+]1CCC(Cc2ccc(-c3cccnc3)cc2)(C(N)=O)CC1 ZINC000019700311 569347192 /nfs/dbraw/zinc/34/71/92/569347192.db2.gz UODMYDHQWXTUPT-UHFFFAOYSA-N 1 0 415.537 4.067 40 0 HIABRO CCc1ccc2[nH]c(C)c(C[N@@H+]3CC[C@@](Cc4cc(C(C)C)no4)(C(=O)NC)C3)c2c1 ZINC000019739237 569348703 /nfs/dbraw/zinc/34/87/03/569348703.db2.gz MMLHYGCILPAXEG-VWLOTQADSA-N 1 0 422.573 4.331 40 0 HIABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019700101 569428578 /nfs/dbraw/zinc/42/85/78/569428578.db2.gz MFOOGWVMCZUZDW-UHFFFAOYSA-N 1 0 417.528 4.459 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2)CC1 ZINC000019756647 569429416 /nfs/dbraw/zinc/42/94/16/569429416.db2.gz PPEIPOPPLAWGKX-UHFFFAOYSA-N 1 0 416.569 4.113 40 0 HIABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3C)c4=O)C2)cc1 ZINC000020503210 575369784 /nfs/dbraw/zinc/36/97/84/575369784.db2.gz WGRGYCCNWINPSM-LEWJYISDSA-N 1 0 400.522 4.452 40 0 biogenic,in-vitro HIABRO CC[NH+](CC)CCOc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000004932084 845073019 /nfs/dbraw/zinc/07/30/19/845073019.db2.gz ZQTCCGDAJVFLMQ-UHFFFAOYSA-N 1 0 400.548 4.120 40 0 HIABRO Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)[NH2+][C@H](C(=O)NC(C)C)C3)no1 ZINC000049171913 291267799 /nfs/dbraw/zinc/26/77/99/291267799.db2.gz ZDHMIDPRWCDAJU-SFTDATJTSA-N 1 0 408.546 4.112 40 0 biogenic,in-vitro HIABRO Cc1cc(OCC[NH+](C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NCc1ccccc1)C2 ZINC000004222643 291267829 /nfs/dbraw/zinc/26/78/29/291267829.db2.gz YUWAOONVIPCTBV-SIKLNZKXSA-N 1 0 408.586 4.301 40 0 biogenic,in-vitro HIABRO Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccccc3)nn2C)cc1 ZINC000008635322 291267928 /nfs/dbraw/zinc/26/79/28/291267928.db2.gz CUIRVFRVDKEKFY-ZRBLBEILSA-N 1 0 414.553 4.003 40 0 biogenic,in-vitro HIABRO Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044852453 525305255 /nfs/dbraw/zinc/30/52/55/525305255.db2.gz CPXDLIPEINJTDC-UYAOXDASSA-N 1 0 400.950 4.444 40 0 HIABRO O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874822 527188880 /nfs/dbraw/zinc/18/88/80/527188880.db2.gz UDIRQKASJBTLPV-UHFFFAOYSA-N 1 0 410.942 4.085 40 0 HIABRO O[C@@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000040373096 527656883 /nfs/dbraw/zinc/65/68/83/527656883.db2.gz VQKBWYZFCOPZDG-AREMUKBSSA-N 1 0 416.565 4.018 40 0 HIABRO C[N@H+](CC[C@@H]1c2ccccc2COc2ccccc21)C[C@H](O)COc1ccccc1 ZINC000005699073 557669196 /nfs/dbraw/zinc/66/91/96/557669196.db2.gz SZQLTQPHXXXMNC-XUZZJYLKSA-N 1 0 403.522 4.473 40 0 in-man HIABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000035289175 557670612 /nfs/dbraw/zinc/67/06/12/557670612.db2.gz MOWSXRQIIGJEDP-UHFFFAOYSA-N 1 0 412.921 4.086 40 0 HIABRO CCn1cc(C[NH+]2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)c(C)n1 ZINC000019744076 558264441 /nfs/dbraw/zinc/26/44/41/558264441.db2.gz SQKOBUGAQPCWKB-RUZDIDTESA-N 1 0 422.617 4.295 40 0 HIABRO Cc1nn(C)c2nc(C3CC[NH+](Cc4cnc(-c5ccc(C)cc5)nc4)CC3)ccc12 ZINC000019744793 558265168 /nfs/dbraw/zinc/26/51/68/558265168.db2.gz FDXLBNTYVPISGQ-UHFFFAOYSA-N 1 0 412.541 4.422 40 0 HIABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000012293471 558366449 /nfs/dbraw/zinc/36/64/49/558366449.db2.gz HMNPXFXUPBWCOM-SFTDATJTSA-N 1 0 401.934 4.341 40 0 HIABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293597 558366799 /nfs/dbraw/zinc/36/67/99/558366799.db2.gz HPGDXKTYZHAPDB-ZEQRLZLVSA-N 1 0 419.521 4.233 40 0 HIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)C[C@H]2O ZINC000012293588 558366826 /nfs/dbraw/zinc/36/68/26/558366826.db2.gz BZQFXPSOOKKVMX-RPWUZVMVSA-N 1 0 419.521 4.233 40 0 HIABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000012293655 558367009 /nfs/dbraw/zinc/36/70/09/558367009.db2.gz KVRVFFDLTWMDDZ-RBUKOAKNSA-N 1 0 424.324 4.083 40 0 HIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)C1 ZINC000020456203 558369704 /nfs/dbraw/zinc/36/97/04/558369704.db2.gz BMNXFZDGJAETRF-LNLBBOMNSA-N 1 0 417.597 4.390 40 0 HIABRO CCOc1cc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)c(C)cc1OC ZINC000012344627 558386577 /nfs/dbraw/zinc/38/65/77/558386577.db2.gz PFCKWXKKRAQDRJ-UHFFFAOYSA-N 1 0 414.521 4.169 40 0 HIABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC(C)(C)C1 ZINC000022467478 558491075 /nfs/dbraw/zinc/49/10/75/558491075.db2.gz XXQPFLGJWKRVOP-BWAGFHJFSA-N 1 0 409.014 4.050 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1 ZINC000039766685 558686138 /nfs/dbraw/zinc/68/61/38/558686138.db2.gz JEXHGHYZFSRKBP-UHFFFAOYSA-N 1 0 419.569 4.472 40 0 HIABRO O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039772632 558686361 /nfs/dbraw/zinc/68/63/61/558686361.db2.gz HDXQSFWYQYRUEU-UHFFFAOYSA-N 1 0 423.532 4.303 40 0 HIABRO Cc1nccn1Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000038831782 558817096 /nfs/dbraw/zinc/81/70/96/558817096.db2.gz OWEKFQLRNPGHSR-UHFFFAOYSA-N 1 0 402.542 4.156 40 0 HIABRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)c(OC)c1 ZINC000019217360 558850775 /nfs/dbraw/zinc/85/07/75/558850775.db2.gz BWKZVWKIQBSDCA-DENIHFKCSA-N 1 0 414.571 4.306 40 0 HIABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]21 ZINC000019347734 558874082 /nfs/dbraw/zinc/87/40/82/558874082.db2.gz KIYUSGWPDXEEHF-MQSCRBSSSA-N 1 0 421.541 4.413 40 0 HIABRO O=C(N[C@@H]1CCCOC1)c1cc(C2CC[NH+](Cc3cccc4ccccc43)CC2)no1 ZINC000019376369 558882291 /nfs/dbraw/zinc/88/22/91/558882291.db2.gz ISTZWMKBYFRKPC-OAQYLSRUSA-N 1 0 419.525 4.116 40 0 HIABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449629 558888195 /nfs/dbraw/zinc/88/81/95/558888195.db2.gz LSPDWHKPFODYAI-SANMLTNESA-N 1 0 414.553 4.103 40 0 HIABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019529142 558910768 /nfs/dbraw/zinc/91/07/68/558910768.db2.gz BGYXEOVREAQPPC-AREMUKBSSA-N 1 0 414.553 4.023 40 0 HIABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccs2)C1 ZINC000019529176 558910895 /nfs/dbraw/zinc/91/08/95/558910895.db2.gz NBGLVYHADAYOHG-XMMPIXPASA-N 1 0 405.567 4.381 40 0 HIABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OC1CCCC1 ZINC000019550134 558914871 /nfs/dbraw/zinc/91/48/71/558914871.db2.gz PFOAOCHPTYZDGI-HWHXTQLESA-N 1 0 408.542 4.141 40 0 HIABRO COc1ccc(-c2cccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000019558369 558920145 /nfs/dbraw/zinc/92/01/45/558920145.db2.gz RSBUUOXOGUZFIQ-UHFFFAOYSA-N 1 0 417.553 4.092 40 0 HIABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)cc1OC ZINC000019567076 558926500 /nfs/dbraw/zinc/92/65/00/558926500.db2.gz UCLYMBACWAOELL-OAHLLOKOSA-N 1 0 414.531 4.207 40 0 HIABRO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)cc1OC ZINC000019567079 558926514 /nfs/dbraw/zinc/92/65/14/558926514.db2.gz UCLYMBACWAOELL-HNNXBMFYSA-N 1 0 414.531 4.207 40 0 HIABRO COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000019571650 558930086 /nfs/dbraw/zinc/93/00/86/558930086.db2.gz HMVYHJKXZWGBSQ-MHZLTWQESA-N 1 0 414.549 4.325 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019580308 558935762 /nfs/dbraw/zinc/93/57/62/558935762.db2.gz RBIYQWZBDZNERI-AREMUKBSSA-N 1 0 417.528 4.411 40 0 HIABRO Cc1noc(C)c1Cc1ccc(C(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)s1 ZINC000019581066 558936617 /nfs/dbraw/zinc/93/66/17/558936617.db2.gz WVEHNBSKOCZCKP-UHFFFAOYSA-N 1 0 424.570 4.075 40 0 HIABRO COc1ccc2c(c1)NC1(CC[NH+](Cc3ccc(OC)c(O)c3)CC1)c1cccn1-2 ZINC000072341793 558940001 /nfs/dbraw/zinc/94/00/01/558940001.db2.gz JIUDUJPFJZYKRZ-UHFFFAOYSA-N 1 0 405.498 4.117 40 0 HIABRO Fc1ccccc1C[NH+]1CCC(c2cc(N3CCCC3)nc(-c3cnccn3)n2)CC1 ZINC000072352938 558949447 /nfs/dbraw/zinc/94/94/47/558949447.db2.gz NNVWBVPGNUSMJU-UHFFFAOYSA-N 1 0 418.520 4.053 40 0 HIABRO Cc1c(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019687412 558957313 /nfs/dbraw/zinc/95/73/13/558957313.db2.gz KRZZFICQWBJQKA-HXUWFJFHSA-N 1 0 410.953 4.242 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019687420 558957396 /nfs/dbraw/zinc/95/73/96/558957396.db2.gz OXNDPIQLGJCVTQ-HXUWFJFHSA-N 1 0 410.953 4.242 40 0 HIABRO Cc1c(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000072371459 558958402 /nfs/dbraw/zinc/95/84/02/558958402.db2.gz HMJAYGUUKSCBRS-FQEVSTJZSA-N 1 0 407.562 4.186 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 ZINC000019694068 558962230 /nfs/dbraw/zinc/96/22/30/558962230.db2.gz VNZJOYDIDUYBFN-SFHVURJKSA-N 1 0 424.980 4.285 40 0 HIABRO FC(F)(F)c1cccnc1Nc1nccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072377623 558966950 /nfs/dbraw/zinc/96/69/50/558966950.db2.gz XCGZJWRACIQXDH-INIZCTEOSA-N 1 0 414.435 4.409 40 0 HIABRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)C1(c2ccccc2F)CCOCC1 ZINC000072391822 558971784 /nfs/dbraw/zinc/97/17/84/558971784.db2.gz PBQVFEFTMNDUCU-QHCPKHFHSA-N 1 0 410.533 4.217 40 0 HIABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)Cc4ccccn4)CC3)CCCCC2)cc1 ZINC000072393596 558972991 /nfs/dbraw/zinc/97/29/91/558972991.db2.gz KGGULUTXNGGMKD-UHFFFAOYSA-N 1 0 421.585 4.115 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394021 558973253 /nfs/dbraw/zinc/97/32/53/558973253.db2.gz KDQRGCOCUQFWMJ-XMMPIXPASA-N 1 0 423.488 4.264 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394013 558973310 /nfs/dbraw/zinc/97/33/10/558973310.db2.gz RRWUMRGSOATMIS-XMMPIXPASA-N 1 0 423.488 4.264 40 0 HIABRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1 ZINC000019717155 558979613 /nfs/dbraw/zinc/97/96/13/558979613.db2.gz BWUUTEXDEPWFGH-LJQANCHMSA-N 1 0 405.542 4.436 40 0 HIABRO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)nc2ccccn12 ZINC000585100063 559023723 /nfs/dbraw/zinc/02/37/23/559023723.db2.gz DPXFPWPZYLCVEA-SANMLTNESA-N 1 0 416.569 4.498 40 0 HIABRO Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100306 559023812 /nfs/dbraw/zinc/02/38/12/559023812.db2.gz AWTDGTJIKISBLZ-JOCHJYFZSA-N 1 0 403.473 4.231 40 0 HIABRO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585102303 559025938 /nfs/dbraw/zinc/02/59/38/559025938.db2.gz WSCVTLVYWMQCQY-NOZRDPDXSA-N 1 0 406.526 4.338 40 0 HIABRO CC(C)c1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccnn4C)[C@H]3C2)cc1 ZINC000585109753 559029422 /nfs/dbraw/zinc/02/94/22/559029422.db2.gz PLPUUCRTWKVEMD-SONWIMMPSA-N 1 0 414.553 4.244 40 0 HIABRO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCC[N@@H+]2CCc2ccccc2)n1 ZINC000585166781 559067365 /nfs/dbraw/zinc/06/73/65/559067365.db2.gz YIEQKMNZZOGYBG-DEOSSOPVSA-N 1 0 414.553 4.485 40 0 HIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052796 559092376 /nfs/dbraw/zinc/09/23/76/559092376.db2.gz INORMBGPPFLQSB-IBGZPJMESA-N 1 0 410.583 4.018 40 0 HIABRO O=S(=O)(c1ccccc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071298 559094330 /nfs/dbraw/zinc/09/43/30/559094330.db2.gz OBQXJZKVUBUZDM-OAQYLSRUSA-N 1 0 404.963 4.159 40 0 HIABRO COCC[NH2+][C@H]1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC(=O)N2Cc1ccc(F)cc1 ZINC000585261851 559109505 /nfs/dbraw/zinc/10/95/05/559109505.db2.gz YAEZBYGDLHROKS-QENXHYHDSA-N 1 0 410.533 4.115 40 0 HIABRO Cc1ccc(OCC2(O)CC[NH+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC2)cc1 ZINC000585286644 559122087 /nfs/dbraw/zinc/12/20/87/559122087.db2.gz HGYSPDOXLFJWQT-GUOBSTCESA-N 1 0 409.570 4.290 40 0 HIABRO COC(=O)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCOCc3ccccc3)C2)c1 ZINC000072360803 559185842 /nfs/dbraw/zinc/18/58/42/559185842.db2.gz NHPLOKCUFINGOF-JOCHJYFZSA-N 1 0 419.525 4.260 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(NC(C)=O)c3)C2)cc1 ZINC000072358404 559185996 /nfs/dbraw/zinc/18/59/96/559185996.db2.gz GBSOHUSGUFPATI-OAQYLSRUSA-N 1 0 416.525 4.490 40 0 HIABRO Fc1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccc4nccnc4c3)[nH]n2)cc1 ZINC000072378344 559186834 /nfs/dbraw/zinc/18/68/34/559186834.db2.gz HESROBBPNUOKIF-XMMPIXPASA-N 1 0 417.488 4.451 40 0 HIABRO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2OC)C1 ZINC000257288173 559285575 /nfs/dbraw/zinc/28/55/75/559285575.db2.gz PTEKYIBBFATKLI-SANMLTNESA-N 1 0 415.537 4.037 40 0 HIABRO COc1ccccc1CC(=O)N1[C@@H]2CCCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257290671 559285686 /nfs/dbraw/zinc/28/56/86/559285686.db2.gz QDWIXDUWTGPMLS-VUVIEMBPSA-N 1 0 418.581 4.371 40 0 HIABRO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000880655 560539645 /nfs/dbraw/zinc/53/96/45/560539645.db2.gz VGRWFPYBTGMPFJ-UHFFFAOYSA-N 1 0 422.598 4.214 40 0 HIABRO Cc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)COc3ccccc3)n2)cc1 ZINC000004214830 560603915 /nfs/dbraw/zinc/60/39/15/560603915.db2.gz ICYIXUZSPPVWTE-UHFFFAOYSA-N 1 0 409.555 4.482 40 0 HIABRO COc1cccc(-c2cc3nc4c(c(NCC(C)(C)C[NH+](C)C)n3n2)CCCC4)c1 ZINC000004980798 560623099 /nfs/dbraw/zinc/62/30/99/560623099.db2.gz GHONBSJAWLVFJJ-UHFFFAOYSA-N 1 0 407.562 4.283 40 0 HIABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Br)c1 ZINC000006548021 560744121 /nfs/dbraw/zinc/74/41/21/560744121.db2.gz CNKNQXYUYWVMKS-UHFFFAOYSA-N 1 0 418.360 4.172 40 0 HIABRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000106863944 560746615 /nfs/dbraw/zinc/74/66/15/560746615.db2.gz CFBVYNNDKVJNOH-KFWWJZLASA-N 1 0 406.933 4.069 40 0 HIABRO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1 ZINC000020121574 560880715 /nfs/dbraw/zinc/88/07/15/560880715.db2.gz KIGGDAAHNWHSMB-UHFFFAOYSA-N 1 0 416.573 4.086 40 0 HIABRO CC1CC[NH+](Cc2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)CC1 ZINC000219236912 568488386 /nfs/dbraw/zinc/48/83/86/568488386.db2.gz PSOBFJXAJWXINX-UHFFFAOYSA-N 1 0 410.543 4.302 40 0 HIABRO Cc1cccc(-c2noc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)n2)c1 ZINC000222595547 568519803 /nfs/dbraw/zinc/51/98/03/568519803.db2.gz TWRLVNLGLHTIBN-IBGZPJMESA-N 1 0 424.932 4.227 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223234677 568541928 /nfs/dbraw/zinc/54/19/28/568541928.db2.gz RBOOARUWPGBUFH-VXKWHMMOSA-N 1 0 411.619 4.313 40 0 HIABRO COc1ccccc1OCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223415467 568548133 /nfs/dbraw/zinc/54/81/33/568548133.db2.gz GWROJKMTAGYFRV-UHFFFAOYSA-N 1 0 416.521 4.062 40 0 HIABRO Cc1ccccc1OCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223415237 568548190 /nfs/dbraw/zinc/54/81/90/568548190.db2.gz DTSZZNBQQYKPKJ-UHFFFAOYSA-N 1 0 400.522 4.362 40 0 HIABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1C ZINC000223948424 568564080 /nfs/dbraw/zinc/56/40/80/568564080.db2.gz KWPHSMKLHNXZNJ-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3ccc(Cl)cc3F)cc2)CC1 ZINC000224141627 568571343 /nfs/dbraw/zinc/57/13/43/568571343.db2.gz LILBSZHTFFVSKA-UHFFFAOYSA-N 1 0 407.942 4.103 40 0 HIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1C ZINC000224535211 568583999 /nfs/dbraw/zinc/58/39/99/568583999.db2.gz CZFQTRLCAYYMKQ-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO O=C(Cc1cccc(Br)c1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224704910 568593098 /nfs/dbraw/zinc/59/30/98/568593098.db2.gz XKCOEKSLGKYXOW-UHFFFAOYSA-N 1 0 401.348 4.294 40 0 HIABRO O=C(Cc1cccc(Br)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224854014 568600411 /nfs/dbraw/zinc/60/04/11/568600411.db2.gz WWGZHUQFAMRJFR-UHFFFAOYSA-N 1 0 401.348 4.294 40 0 HIABRO CCn1c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4C)CC3)cc2sc1=O ZINC000225110611 568614938 /nfs/dbraw/zinc/61/49/38/568614938.db2.gz CAPLHWGIKXNXBM-UHFFFAOYSA-N 1 0 409.555 4.242 40 0 HIABRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000225514632 568645402 /nfs/dbraw/zinc/64/54/02/568645402.db2.gz MMAMOSUIQYKCSS-FUHWJXTLSA-N 1 0 416.949 4.447 40 0 HIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257212912 568779830 /nfs/dbraw/zinc/77/98/30/568779830.db2.gz CFKQTAORIQGJBB-QHCPKHFHSA-N 1 0 423.605 4.371 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257219847 568782005 /nfs/dbraw/zinc/78/20/05/568782005.db2.gz DILIDLMFIXDAOM-OAQYLSRUSA-N 1 0 424.564 4.167 40 0 HIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C3CCCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257225321 568783544 /nfs/dbraw/zinc/78/35/44/568783544.db2.gz FFSIXCPCCYCXKL-QHCPKHFHSA-N 1 0 423.605 4.417 40 0 HIABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4cnccn4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257235438 568786399 /nfs/dbraw/zinc/78/63/99/568786399.db2.gz GXVLNGWVTHOATJ-RBBKRZOGSA-N 1 0 409.530 4.016 40 0 HIABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4cc5c(cc4Cl)OCO5)C3)n2)cc1 ZINC000257241302 568787939 /nfs/dbraw/zinc/78/79/39/568787939.db2.gz HXOBVYYKNZLBOW-CQSZACIVSA-N 1 0 413.861 4.117 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257249951 568790268 /nfs/dbraw/zinc/79/02/68/568790268.db2.gz JKJOJBCUBJMFOQ-QHCPKHFHSA-N 1 0 420.601 4.336 40 0 HIABRO Cc1cnc(C(=O)N2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)cn1 ZINC000257266213 568794460 /nfs/dbraw/zinc/79/44/60/568794460.db2.gz MBZZSSWBQACJIJ-QGZVFWFLSA-N 1 0 405.477 4.391 40 0 HIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)[nH+]1 ZINC000257285916 568800154 /nfs/dbraw/zinc/80/01/54/568800154.db2.gz PJKWRUHWEUIYRR-KRWDZBQOSA-N 1 0 405.477 4.270 40 0 HIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257310510 568807494 /nfs/dbraw/zinc/80/74/94/568807494.db2.gz UFIQSIRQGUJWMV-SFHVURJKSA-N 1 0 401.938 4.111 40 0 HIABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257336177 568814969 /nfs/dbraw/zinc/81/49/69/568814969.db2.gz YNMCGMJEFWTPBF-SFHVURJKSA-N 1 0 417.513 4.260 40 0 HIABRO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@@]12C[N@H+](CC(C)C)CCO2 ZINC000306134272 568896256 /nfs/dbraw/zinc/89/62/56/568896256.db2.gz NHMXAHPZZVWBPZ-GBXCKJPGSA-N 1 0 411.546 4.049 40 0 HIABRO Cc1cc(C)cc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144596 568906146 /nfs/dbraw/zinc/90/61/46/568906146.db2.gz ZJUOGLCXDSJIQH-OZXSUGGESA-N 1 0 420.601 4.309 40 0 HIABRO Cc1ccc(OCC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000028295328 569004961 /nfs/dbraw/zinc/00/49/61/569004961.db2.gz HRYVJCATQXBQAM-OAQYLSRUSA-N 1 0 422.491 4.274 40 0 HIABRO O[C@H](COc1ccccc1Br)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002696129 569211691 /nfs/dbraw/zinc/21/16/91/569211691.db2.gz BREIVTLGRYVPOD-IBGZPJMESA-N 1 0 404.348 4.144 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 ZINC000009062921 569342240 /nfs/dbraw/zinc/34/22/40/569342240.db2.gz CIQVJPFYHAGVFN-UHFFFAOYSA-N 1 0 405.542 4.082 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000012408187 569344711 /nfs/dbraw/zinc/34/47/11/569344711.db2.gz OPTZURDZBWXKDN-PZJWPPBQSA-N 1 0 413.587 4.411 40 0 HIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3ccc(C)s3)C1)O2 ZINC000019217185 569345323 /nfs/dbraw/zinc/34/53/23/569345323.db2.gz MXSHNTGVESUWCV-WZONZLPQSA-N 1 0 414.571 4.087 40 0 HIABRO COc1ccc(OCc2sc([C@]3(O)CCC[N@H+](CC4CC4)CC3)nc2C)cc1 ZINC000019705167 569347855 /nfs/dbraw/zinc/34/78/55/569347855.db2.gz VZLQLXPZTJUNFU-QFIPXVFZSA-N 1 0 402.560 4.123 40 0 HIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cccc(-c4nc[nH]n4)c3)cc2)C1 ZINC000019711848 569348142 /nfs/dbraw/zinc/34/81/42/569348142.db2.gz SFUHEWLHRVBVFZ-YADHBBJMSA-N 1 0 419.529 4.286 40 0 HIABRO Cc1nc([C@@]2(O)CCC[N@H+](CC3CC3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019738673 569348455 /nfs/dbraw/zinc/34/84/55/569348455.db2.gz OBAYCCSTMALQPL-JOCHJYFZSA-N 1 0 404.551 4.296 40 0 HIABRO CNc1cc(C[NH2+]C)nc([C@@H]2CCCN2Cc2cccc(-c3cccc(OC)c3)c2)n1 ZINC000019760514 569429688 /nfs/dbraw/zinc/42/96/88/569429688.db2.gz XOLGIOYGXZHANL-QHCPKHFHSA-N 1 0 417.557 4.250 40 0 HIABRO C[NH+](C)CCCNc1nc(NNc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 ZINC000328971662 571304433 /nfs/dbraw/zinc/30/44/33/571304433.db2.gz DRRCUDOYQAEACX-UHFFFAOYSA-N 1 0 423.270 4.605 40 0 HIABRO O=C1OC[C@@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)Cc3ccc(F)cc3N12 ZINC000225486225 291270314 /nfs/dbraw/zinc/27/03/14/291270314.db2.gz ZRJQHQFGFKFZEP-INIZCTEOSA-N 1 0 410.367 4.455 40 0 biogenic,in-vitro HIABRO O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1C[NH2+]Cc1c[nH]c2ccccc12 ZINC000096296024 291271065 /nfs/dbraw/zinc/27/10/65/291271065.db2.gz OMJJSVBAGHRXAL-GRYUFTJMSA-N 1 0 417.509 4.064 40 0 biogenic,in-vitro HIABRO O=C(C1CC1)N1CCCc2cc([C@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291513 132358039 /nfs/dbraw/zinc/35/80/39/132358039.db2.gz MHDWISNBDOVHFY-RUZDIDTESA-N 1 0 420.528 4.338 40 0 HIABRO CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1OCC ZINC000044883002 520993881 /nfs/dbraw/zinc/99/38/81/520993881.db2.gz BCDSTHGXHGOOMD-FQEVSTJZSA-N 1 0 414.521 4.152 40 0 HIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3CC(=O)NC3CCCCC3)c2)n1 ZINC000072372492 524594185 /nfs/dbraw/zinc/59/41/85/524594185.db2.gz NVVFGWBKAWRVTQ-QFIPXVFZSA-N 1 0 422.577 4.126 40 0 HIABRO CN(C)c1ccc(C(=O)CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC000001688502 557280796 /nfs/dbraw/zinc/28/07/96/557280796.db2.gz KNIHPCIOQUKGMN-UHFFFAOYSA-N 1 0 400.950 4.353 40 0 HIABRO CC1CCN(c2ncc(-c3cncn3[C@H](CC[NH+](C)C)c3ccccc3)cn2)CC1 ZINC000019720009 558258775 /nfs/dbraw/zinc/25/87/75/558258775.db2.gz WVMUMABHVLCMID-JOCHJYFZSA-N 1 0 404.562 4.118 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](CC3CC3)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 ZINC000019741429 558262095 /nfs/dbraw/zinc/26/20/95/558262095.db2.gz GYYFWDPOUZVIJS-FQEVSTJZSA-N 1 0 422.548 4.035 40 0 HIABRO COc1ccc(NC(=O)c2cnc([C@@H]3CC[N@H+](Cc4ccc(F)cc4)C3)nc2C)cc1 ZINC000019766214 558278518 /nfs/dbraw/zinc/27/85/18/558278518.db2.gz YENZOGQKMLEJMM-GOSISDBHSA-N 1 0 420.488 4.175 40 0 HIABRO COc1ccc2c(c1)NC1(CC[NH+](Cc3ccc(OC)c(OC)c3)CC1)c1cccn1-2 ZINC000012113462 558326815 /nfs/dbraw/zinc/32/68/15/558326815.db2.gz OHYWHQIUTNUAPI-UHFFFAOYSA-N 1 0 419.525 4.420 40 0 HIABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000012119269 558330252 /nfs/dbraw/zinc/33/02/52/558330252.db2.gz QOFZDZAWONFNHJ-IBGZPJMESA-N 1 0 402.498 4.046 40 0 HIABRO CCOc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc1OC ZINC000012234356 558358589 /nfs/dbraw/zinc/35/85/89/558358589.db2.gz NXJVSHSCDPCWQZ-UHFFFAOYSA-N 1 0 420.513 4.031 40 0 HIABRO Cc1[nH]c2cc(C)ccc2c1[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000012293256 558366207 /nfs/dbraw/zinc/36/62/07/558366207.db2.gz JYXFBJJVDMRQTM-FCHUYYIVSA-N 1 0 406.526 4.169 40 0 HIABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1C ZINC000012293525 558366560 /nfs/dbraw/zinc/36/65/60/558366560.db2.gz YHKAIALJSJAFNB-NHCUHLMSSA-N 1 0 401.934 4.341 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cc1 ZINC000012328641 558383726 /nfs/dbraw/zinc/38/37/26/558383726.db2.gz VDFHRHLBBGMDMU-NQIIRXRSSA-N 1 0 418.459 4.451 40 0 HIABRO Cc1cc2c(cc1Cl)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012329639 558384208 /nfs/dbraw/zinc/38/42/08/558384208.db2.gz FQKAESZAVQLTOE-UXHICEINSA-N 1 0 405.897 4.172 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(Cl)cc1 ZINC000012329785 558384576 /nfs/dbraw/zinc/38/45/76/558384576.db2.gz OATZSZXAZZJPSJ-RTBURBONSA-N 1 0 408.325 4.378 40 0 HIABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329775 558384619 /nfs/dbraw/zinc/38/46/19/558384619.db2.gz URYTUVIRUUIYCD-LEWJYISDSA-N 1 0 401.934 4.341 40 0 HIABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039752650 558687141 /nfs/dbraw/zinc/68/71/41/558687141.db2.gz MIRDFCXDUFETOH-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)no2)cc1 ZINC000028296121 558699096 /nfs/dbraw/zinc/69/90/96/558699096.db2.gz OVADOQBFQLWZBQ-QFIPXVFZSA-N 1 0 407.514 4.409 40 0 HIABRO COc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(OC)cc1Cl ZINC000030942717 558745872 /nfs/dbraw/zinc/74/58/72/558745872.db2.gz IEPOVLZTEMFOFB-OAHLLOKOSA-N 1 0 406.885 4.347 40 0 HIABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000035590758 558793967 /nfs/dbraw/zinc/79/39/67/558793967.db2.gz BPFFYMYJLQEEOZ-UOAUAQBLSA-N 1 0 406.998 4.054 40 0 HIABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000038834463 558817680 /nfs/dbraw/zinc/81/76/80/558817680.db2.gz XVGUOUVSDDEGDR-SFHVURJKSA-N 1 0 400.906 4.367 40 0 HIABRO COc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)CCCC2 ZINC000019021072 558837881 /nfs/dbraw/zinc/83/78/81/558837881.db2.gz GAWPQCJQIYSJER-UHFFFAOYSA-N 1 0 410.533 4.341 40 0 HIABRO COc1cccc(OC)c1C[NH2+][C@@H]1CCCN(C(=O)C2CC2)[C@H]1c1ccc(C)s1 ZINC000019217346 558850704 /nfs/dbraw/zinc/85/07/04/558850704.db2.gz QNSVPJJBDYJTEU-XMSQKQJNSA-N 1 0 414.571 4.306 40 0 HIABRO COc1c(C)cccc1C[NH+]1CCC(c2cc(N(C)C)nc(-c3cccnc3)n2)CC1 ZINC000019235934 558854966 /nfs/dbraw/zinc/85/49/66/558854966.db2.gz GRNWZGZJPUYTOW-UHFFFAOYSA-N 1 0 417.557 4.301 40 0 HIABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019235970 558855134 /nfs/dbraw/zinc/85/51/34/558855134.db2.gz KGEIDOORYSNNFT-FQEVSTJZSA-N 1 0 417.557 4.301 40 0 HIABRO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019446649 558886331 /nfs/dbraw/zinc/88/63/31/558886331.db2.gz LITUWZJQYZIBIR-WZONZLPQSA-N 1 0 401.501 4.475 40 0 HIABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449596 558887953 /nfs/dbraw/zinc/88/79/53/558887953.db2.gz XWFCVBAVSUAPMF-SANMLTNESA-N 1 0 414.553 4.103 40 0 HIABRO COc1ccc2c(c1)c(C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)cn2C(C)C ZINC000019454783 558891545 /nfs/dbraw/zinc/89/15/45/558891545.db2.gz XLSVEHPAVUVPAW-WPUZRXDDSA-N 1 0 422.573 4.084 40 0 HIABRO C[C@H](C[NH+]1CCC([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1)c1ccccc1 ZINC000019456077 558891907 /nfs/dbraw/zinc/89/19/07/558891907.db2.gz VUFBHDOSMCVXAB-CJFMBICVSA-N 1 0 414.553 4.463 40 0 HIABRO C[C@H](NC(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1)c1cc2cc(Cl)ccc2o1 ZINC000019458509 558892621 /nfs/dbraw/zinc/89/26/21/558892621.db2.gz ZSTLIDHLKKPAHT-HOTGVXAUSA-N 1 0 403.954 4.070 40 0 HIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1c(C)nn(Cc2ccccc2)c1C)Cc1cccnc1 ZINC000019527185 558908224 /nfs/dbraw/zinc/90/82/24/558908224.db2.gz RYJCSKHRVYUBAT-RUZDIDTESA-N 1 0 417.601 4.430 40 0 HIABRO Cc1nc2ccccn2c1C[NH2+][C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019555032 558917953 /nfs/dbraw/zinc/91/79/53/558917953.db2.gz HTOMSEUXKYNWFU-IBGZPJMESA-N 1 0 407.905 4.174 40 0 HIABRO Cc1cc(C)n(-c2ccc(CCC(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)cc2)n1 ZINC000019574677 558932269 /nfs/dbraw/zinc/93/22/69/558932269.db2.gz KQVZWGHBYUQJBB-HSZRJFAPSA-N 1 0 408.590 4.289 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019579589 558935155 /nfs/dbraw/zinc/93/51/55/558935155.db2.gz NROMFBNFSZNZBI-AREMUKBSSA-N 1 0 414.553 4.057 40 0 HIABRO C[NH+]1CCC(C(=O)N2CCC(c3cccc(Cc4ccccc4Cl)n3)CC2)CC1 ZINC000072350403 558947459 /nfs/dbraw/zinc/94/74/59/558947459.db2.gz GTDBDXFEGPUWOY-UHFFFAOYSA-N 1 0 411.977 4.374 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cn(C)c3ccc(F)cc23)C1 ZINC000072352530 558948926 /nfs/dbraw/zinc/94/89/26/558948926.db2.gz HYZDYNYYAKPYKD-CQSZACIVSA-N 1 0 422.529 4.276 40 0 HIABRO Cn1cc(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2cc(F)ccc21 ZINC000072352529 558949030 /nfs/dbraw/zinc/94/90/30/558949030.db2.gz FWGLAQXQNPOZEJ-CYBMUJFWSA-N 1 0 408.502 4.016 40 0 HIABRO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)s1 ZINC000072371797 558959070 /nfs/dbraw/zinc/95/90/70/558959070.db2.gz QRJAFZDJFVLVMY-HNNXBMFYSA-N 1 0 402.951 4.439 40 0 HIABRO COc1ccc(NC(=O)CN2CCC[C@@H]2c2cc(Nc3ccccn3)cc(C)[nH+]2)cc1 ZINC000072372481 558959948 /nfs/dbraw/zinc/95/99/48/558959948.db2.gz RZZWDCAGPFKTHD-JOCHJYFZSA-N 1 0 417.513 4.313 40 0 HIABRO Cc1nn(C)cc1C[NH+]1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 ZINC000019695151 558963717 /nfs/dbraw/zinc/96/37/17/558963717.db2.gz QREDCLKYNAAUHR-UHFFFAOYSA-N 1 0 424.980 4.285 40 0 HIABRO CC(C)n1nccc1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393395 558973069 /nfs/dbraw/zinc/97/30/69/558973069.db2.gz KUEUMKHDTYWICJ-UHFFFAOYSA-N 1 0 414.981 4.434 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394012 558973262 /nfs/dbraw/zinc/97/32/62/558973262.db2.gz RRWUMRGSOATMIS-DEOSSOPVSA-N 1 0 423.488 4.264 40 0 HIABRO COc1ccc(C(C)(C)C)cc1C[NH+]1CCC([C@@H](NC(C)=O)c2ccccn2)CC1 ZINC000072398538 558975882 /nfs/dbraw/zinc/97/58/82/558975882.db2.gz AEVCGHIYXDGRHF-XMMPIXPASA-N 1 0 409.574 4.477 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCCN3C(=O)c3cc(C(C)C)on3)CC2)cc1 ZINC000585100069 559023729 /nfs/dbraw/zinc/02/37/29/559023729.db2.gz DUCXTVGJJQIMSY-XMMPIXPASA-N 1 0 411.546 4.468 40 0 HIABRO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)nc2ccccn12 ZINC000585100486 559024039 /nfs/dbraw/zinc/02/40/39/559024039.db2.gz LDQQSHNZXIKRHI-VWLOTQADSA-N 1 0 420.532 4.329 40 0 HIABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCCN2C(=O)COc2ccccc2C)CC1 ZINC000585099964 559024458 /nfs/dbraw/zinc/02/44/58/559024458.db2.gz BKKAUGNJXBSVRQ-DEOSSOPVSA-N 1 0 411.546 4.026 40 0 HIABRO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585102307 559026126 /nfs/dbraw/zinc/02/61/26/559026126.db2.gz WSCVTLVYWMQCQY-ZCYQVOJMSA-N 1 0 406.526 4.338 40 0 HIABRO COc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)cc1 ZINC000096053431 559093426 /nfs/dbraw/zinc/09/34/26/559093426.db2.gz ODWPJZGSBHHCJY-HXUWFJFHSA-N 1 0 420.553 4.265 40 0 HIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](CC3CCOCC3)CC2)Oc2ccccc21 ZINC000096053496 559093585 /nfs/dbraw/zinc/09/35/85/559093585.db2.gz QGAMIQWLCKNPNQ-OAQYLSRUSA-N 1 0 414.590 4.072 40 0 HIABRO O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000096071293 559094317 /nfs/dbraw/zinc/09/43/17/559094317.db2.gz WHBMLVSIULOTLK-NRFANRHFSA-N 1 0 404.963 4.159 40 0 HIABRO COCCN(C)c1nc(C2CC[NH+](Cc3ccoc3)CC2)cc2c1ncn2C(C)C ZINC000096100025 559095411 /nfs/dbraw/zinc/09/54/11/559095411.db2.gz LPWMLIZLELUDHV-UHFFFAOYSA-N 1 0 411.550 4.067 40 0 HIABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C(=O)c2cccn2C)Cc2ccccc23)o1 ZINC000096242591 559104141 /nfs/dbraw/zinc/10/41/41/559104141.db2.gz RZFZLCJAVVZYTN-UHFFFAOYSA-N 1 0 403.526 4.116 40 0 HIABRO Cc1cccc(C[NH+]2CCC3(CC2)CN(C(=O)NC2CCCC2)Cc2ccccc23)n1 ZINC000096242621 559104202 /nfs/dbraw/zinc/10/42/02/559104202.db2.gz JFMUNNJGMNLSHT-UHFFFAOYSA-N 1 0 418.585 4.392 40 0 HIABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@H](c2cc3ccccc3c(Nc3nccs3)n2)C1 ZINC000585292410 559125143 /nfs/dbraw/zinc/12/51/43/559125143.db2.gz LVAAAEPTMGVQNX-OPUMOTSWSA-N 1 0 421.570 4.259 40 0 HIABRO COc1ccccc1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257205593 559282385 /nfs/dbraw/zinc/28/23/85/559282385.db2.gz AZTZKSBYVCBZJP-CTYGKYNXSA-N 1 0 418.581 4.371 40 0 HIABRO O=C(NCC[NH+]1CCCCC1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257249716 559284577 /nfs/dbraw/zinc/28/45/77/559284577.db2.gz JJMNZYUZSIICIM-UHFFFAOYSA-N 1 0 424.560 4.434 40 0 HIABRO CC[C@H](C)NC(=S)N(CCC[NH+](CC)CC)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004161946 560602078 /nfs/dbraw/zinc/60/20/78/560602078.db2.gz OQJNNTNVQDIZMV-SFHVURJKSA-N 1 0 416.635 4.043 40 0 HIABRO Cc1cccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000004162004 560602142 /nfs/dbraw/zinc/60/21/42/560602142.db2.gz OGKPLLRNNKLAMT-UHFFFAOYSA-N 1 0 422.598 4.296 40 0 HIABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1C ZINC000004231211 560602942 /nfs/dbraw/zinc/60/29/42/560602942.db2.gz JRQHEFOBAPUYAY-UHFFFAOYSA-N 1 0 424.520 4.270 40 0 HIABRO CCCCCC[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007261023 560750044 /nfs/dbraw/zinc/75/00/44/560750044.db2.gz NUHYACBREYWDJX-UHFFFAOYSA-N 1 0 409.534 4.228 40 0 HIABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O ZINC000008253785 560753428 /nfs/dbraw/zinc/75/34/28/560753428.db2.gz SKQDZAFXUSGZFL-KWJFTMPMSA-N 1 0 420.981 4.297 40 0 HIABRO C[NH+](C)[C@H](CNC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)c1ccccc1 ZINC000025420710 568522733 /nfs/dbraw/zinc/52/27/33/568522733.db2.gz YNBHFAGUCCELGH-IAZZRBKQSA-N 1 0 405.380 4.139 40 0 HIABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccco1 ZINC000223334946 568545570 /nfs/dbraw/zinc/54/55/70/568545570.db2.gz HFHLWXHBFRKOKS-NHCUHLMSSA-N 1 0 401.495 4.033 40 0 HIABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccco1 ZINC000223335061 568545595 /nfs/dbraw/zinc/54/55/95/568545595.db2.gz HFHLWXHBFRKOKS-RTWAWAEBSA-N 1 0 401.495 4.033 40 0 HIABRO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532330 568583861 /nfs/dbraw/zinc/58/38/61/568583861.db2.gz BPLTZIYUJSOTKV-UHFFFAOYSA-N 1 0 407.341 4.401 40 0 HIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1C ZINC000224533397 568583881 /nfs/dbraw/zinc/58/38/81/568583881.db2.gz LBYJZROOZNIZCG-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO COc1ccc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc2c1 ZINC000224701621 568592763 /nfs/dbraw/zinc/59/27/63/568592763.db2.gz KNXWBSXWPLEELK-UHFFFAOYSA-N 1 0 424.566 4.313 40 0 HIABRO O=C(COc1cccc(C(F)(F)F)c1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224705933 568593066 /nfs/dbraw/zinc/59/30/66/568593066.db2.gz HALLSVJEHHOJLG-UHFFFAOYSA-N 1 0 406.448 4.387 40 0 HIABRO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000225055707 568611629 /nfs/dbraw/zinc/61/16/29/568611629.db2.gz RNRJCINJIVOSDH-UHFFFAOYSA-N 1 0 415.946 4.104 40 0 HIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225583650 568654242 /nfs/dbraw/zinc/65/42/42/568654242.db2.gz LVSNUYYWAVALMP-IBGZPJMESA-N 1 0 402.608 4.063 40 0 HIABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257207065 568778092 /nfs/dbraw/zinc/77/80/92/568778092.db2.gz BGEUTIICEXHNDD-HXUWFJFHSA-N 1 0 418.516 4.403 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257214572 568780429 /nfs/dbraw/zinc/78/04/29/568780429.db2.gz CMMRCOSKAASDQU-OAQYLSRUSA-N 1 0 424.564 4.167 40 0 HIABRO O=C1O[C@@]2(CN1c1cccc(Cl)c1)COCC[N@H+](Cc1ccnc3ccccc13)C2 ZINC000257218739 568781606 /nfs/dbraw/zinc/78/16/06/568781606.db2.gz DEGPPRBAQPPBCH-QHCPKHFHSA-N 1 0 423.900 4.116 40 0 HIABRO CC1(C(=O)N2CCC[C@H](Cc3ccccn3)C2)CC[NH+](CCc2ccccc2)CC1 ZINC000257260046 568792912 /nfs/dbraw/zinc/79/29/12/568792912.db2.gz LBCYEJHEFWJTDI-HSZRJFAPSA-N 1 0 405.586 4.208 40 0 HIABRO CC[C@H](C(=O)N1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1)[NH+]1CCCC1 ZINC000257263575 568793836 /nfs/dbraw/zinc/79/38/36/568793836.db2.gz LQPXVJIRAPKBBW-XMMPIXPASA-N 1 0 409.549 4.392 40 0 HIABRO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)ccc2c1N ZINC000257265586 568794201 /nfs/dbraw/zinc/79/42/01/568794201.db2.gz LZHHXUUBJRVDSE-SFHVURJKSA-N 1 0 412.534 4.447 40 0 HIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)COc3ccccc3)C2)[nH+]1 ZINC000257275510 568797235 /nfs/dbraw/zinc/79/72/35/568797235.db2.gz NPRKZHQDFTYVNE-KRWDZBQOSA-N 1 0 406.461 4.063 40 0 HIABRO COc1ccccc1Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)ccn1 ZINC000257277020 568797509 /nfs/dbraw/zinc/79/75/09/568797509.db2.gz NWCZUIJOYFMDRB-GEMTWJNPSA-N 1 0 419.569 4.158 40 0 HIABRO O=C(NCC1CCC1)[C@@H]1C[C@H](c2ccn(-c3ccccc3)n2)[C@H](c2cccc(F)c2)[NH2+]1 ZINC000257277899 568797904 /nfs/dbraw/zinc/79/79/04/568797904.db2.gz NZYRQPFYFSLELJ-NHTMILBNSA-N 1 0 418.516 4.115 40 0 HIABRO COc1ccccc1/C=C/CN1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257281596 568799007 /nfs/dbraw/zinc/79/90/07/568799007.db2.gz OQBAAGIAXXKXAM-DOHLAZSCSA-N 1 0 420.488 4.455 40 0 HIABRO COc1ccccc1OCCc1cc([C@H]2C[N@H+](CC3CCCCC3)CCO2)nn1C ZINC000257286641 568800392 /nfs/dbraw/zinc/80/03/92/568800392.db2.gz PMIMFPWSBQFQED-XMMPIXPASA-N 1 0 413.562 4.004 40 0 HIABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257308675 568807102 /nfs/dbraw/zinc/80/71/02/568807102.db2.gz TXRFFXANAYVACA-HXUWFJFHSA-N 1 0 424.564 4.213 40 0 HIABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3ccncc3)CC2)sc1COc1ccccc1 ZINC000257342888 568817012 /nfs/dbraw/zinc/81/70/12/568817012.db2.gz ZQMQSDGFFNPRSK-QHCPKHFHSA-N 1 0 409.555 4.299 40 0 HIABRO c1csc(C[N@H+]2CC[C@]3(C2)CO[C@H](c2ccccc2)CN3Cc2ccccn2)c1 ZINC000306140617 568902263 /nfs/dbraw/zinc/90/22/63/568902263.db2.gz UYYUSEUTXQTNPQ-ZEQRLZLVSA-N 1 0 405.567 4.361 40 0 HIABRO Cc1ccsc1C[N@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306144786 568906238 /nfs/dbraw/zinc/90/62/38/568906238.db2.gz ZOKVUXPNVHPKFQ-WMZHIEFXSA-N 1 0 412.603 4.062 40 0 HIABRO CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000328963426 568970006 /nfs/dbraw/zinc/97/00/06/568970006.db2.gz BNJWYMFBUXDXIL-UHFFFAOYSA-N 1 0 423.483 4.035 40 0 HIABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000035075029 569027790 /nfs/dbraw/zinc/02/77/90/569027790.db2.gz DGXHXXKUOLNTRX-YZZIRNTPSA-N 1 0 421.025 4.444 40 0 HIABRO O=C(CCn1ccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198649 569058989 /nfs/dbraw/zinc/05/89/89/569058989.db2.gz FJWSWFYQJWQWGW-LDLPXMKRSA-N 1 0 403.570 4.453 40 0 HIABRO C[C@@H]1CCCC[N@@H+]1[C@H](C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000248158923 569316506 /nfs/dbraw/zinc/31/65/06/569316506.db2.gz WOSNLWWKJPNUKB-YSZBQJHXSA-N 1 0 420.532 4.381 40 0 HIABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cccc3c2C(=O)N(C)C3)cc1 ZINC000253602363 569318414 /nfs/dbraw/zinc/31/84/14/569318414.db2.gz NVTVUXPLEMAGKC-PKOBYXMFSA-N 1 0 405.542 4.045 40 0 HIABRO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009062661 569342125 /nfs/dbraw/zinc/34/21/25/569342125.db2.gz CCASWVHDAUJTDD-QGZVFWFLSA-N 1 0 416.949 4.144 40 0 HIABRO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000009062678 569342129 /nfs/dbraw/zinc/34/21/29/569342129.db2.gz QVEUYDSIXDUBIE-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000009062604 569342140 /nfs/dbraw/zinc/34/21/40/569342140.db2.gz UZXDVBSHOMUWMA-UHFFFAOYSA-N 1 0 424.585 4.363 40 0 HIABRO O=C(NCCC[NH+]1CCCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009062757 569342262 /nfs/dbraw/zinc/34/22/62/569342262.db2.gz AZILQMWPZCWANY-UHFFFAOYSA-N 1 0 409.977 4.073 40 0 HIABRO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063220 569342298 /nfs/dbraw/zinc/34/22/98/569342298.db2.gz ZGSUNRBFZYEIHD-UHFFFAOYSA-N 1 0 413.949 4.329 40 0 HIABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009063196 569342306 /nfs/dbraw/zinc/34/23/06/569342306.db2.gz FGNYZSQKCDCIFC-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1 ZINC000012365832 569344773 /nfs/dbraw/zinc/34/47/73/569344773.db2.gz DAMWBOGYLLXOCT-TZIWHRDSSA-N 1 0 413.587 4.410 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000012408193 569344813 /nfs/dbraw/zinc/34/48/13/569344813.db2.gz UQPOIYUGEBOZJL-PZJWPPBQSA-N 1 0 413.587 4.411 40 0 HIABRO O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019014833 569345199 /nfs/dbraw/zinc/34/51/99/569345199.db2.gz RKILYBBUVGMIPN-XMSQKQJNSA-N 1 0 424.589 4.140 40 0 HIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3ccc(-n4cnnc4)cc3)cc2)C1 ZINC000019711839 569348248 /nfs/dbraw/zinc/34/82/48/569348248.db2.gz YSZCGKMCWVZQDY-PKTZIBPZSA-N 1 0 419.529 4.082 40 0 HIABRO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000019766969 569429666 /nfs/dbraw/zinc/42/96/66/569429666.db2.gz JWBDTDCYTCKDCX-HSZRJFAPSA-N 1 0 400.526 4.442 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccnc2)n1 ZINC000329055558 571304401 /nfs/dbraw/zinc/30/44/01/571304401.db2.gz VPESNZGMPLMDIR-UHFFFAOYSA-N 1 0 404.562 4.943 40 0 HIABRO Cn1nc(C2CCCCC2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 ZINC000015672402 846082397 /nfs/dbraw/zinc/08/23/97/846082397.db2.gz TXDJIFPDVDEKJB-NNWRFLSQSA-N 1 0 421.589 4.467 40 0 biogenic,in-vitro HIABRO Cn1cc(C[NH2+]C[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)c2ccccc21 ZINC000096269349 291268907 /nfs/dbraw/zinc/26/89/07/291268907.db2.gz MUFXTDZYPATSRP-IBGZPJMESA-N 1 0 406.917 4.384 40 0 biogenic,in-vitro HIABRO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000044852865 525434157 /nfs/dbraw/zinc/43/41/57/525434157.db2.gz AZVHTRLBDILCFQ-SFHVURJKSA-N 1 0 400.950 4.444 40 0 HIABRO O[C@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000040373099 526284491 /nfs/dbraw/zinc/28/44/91/526284491.db2.gz VQKBWYZFCOPZDG-SANMLTNESA-N 1 0 416.565 4.018 40 0 HIABRO Nc1nc(Cl)nc(Nc2ccc(-c3cc4ccc(-c5ncc[nH]5)cc4[nH]3)cc2)n1 ZINC000001585613 557274157 /nfs/dbraw/zinc/27/41/57/557274157.db2.gz WANPNZJMRMRZLU-UHFFFAOYSA-N 1 0 402.849 4.389 40 0 HIABRO COC(=O)[C@H]1C([NH2+]Cc2ccccc2)=CC(C)(C)[C@@H](C(=O)OC)[C@H]1c1ccccc1 ZINC000005495841 557657771 /nfs/dbraw/zinc/65/77/71/557657771.db2.gz FQYUUTFBJUKCNY-FDFHNCONSA-N 1 0 407.510 4.062 40 0 HIABRO CCOc1ccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccnc2)cc1 ZINC000035310728 557685869 /nfs/dbraw/zinc/68/58/69/557685869.db2.gz ZAJGDMVGKOOXPT-UHFFFAOYSA-N 1 0 409.559 4.306 40 0 HIABRO Cc1nc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019744499 558264982 /nfs/dbraw/zinc/26/49/82/558264982.db2.gz QQGUKIXWPNTMNC-OAQYLSRUSA-N 1 0 418.585 4.429 40 0 HIABRO Cc1nn(C)c2nc(C3CC[NH+](Cc4cc5ccccc5nc4N(C)C)CC3)ccc12 ZINC000019744600 558265248 /nfs/dbraw/zinc/26/52/48/558265248.db2.gz JGRWSCPSAZRTOH-UHFFFAOYSA-N 1 0 414.557 4.271 40 0 HIABRO Cc1nn(C)cc1[C@H](C)NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748250 558267699 /nfs/dbraw/zinc/26/76/99/558267699.db2.gz OBSRGKNQGZKFDZ-HNNXBMFYSA-N 1 0 422.495 4.227 40 0 HIABRO Cc1nc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019753818 558273119 /nfs/dbraw/zinc/27/31/19/558273119.db2.gz LXEISLKCQMCAQG-DEOSSOPVSA-N 1 0 414.553 4.485 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)N1CCCCC1 ZINC000019766084 558278309 /nfs/dbraw/zinc/27/83/09/558278309.db2.gz OZQKVTGFMSDJBO-NRFANRHFSA-N 1 0 417.557 4.272 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187256 558346305 /nfs/dbraw/zinc/34/63/05/558346305.db2.gz AUGWHMRFALREIY-HSZRJFAPSA-N 1 0 424.541 4.012 40 0 HIABRO COc1ccc(OC)c([C@@H](O)C[NH+]2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)c1 ZINC000012187998 558346916 /nfs/dbraw/zinc/34/69/16/558346916.db2.gz RUJALDFWNDWKFQ-QFIPXVFZSA-N 1 0 409.526 4.294 40 0 HIABRO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020462161 558373492 /nfs/dbraw/zinc/37/34/92/558373492.db2.gz WZMGBPFKOSVJOE-UHFFFAOYSA-N 1 0 402.542 4.343 40 0 HIABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329769 558384498 /nfs/dbraw/zinc/38/44/98/558384498.db2.gz URYTUVIRUUIYCD-NHCUHLMSSA-N 1 0 401.934 4.341 40 0 HIABRO COc1cccc(C[NH+]2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)c1 ZINC000013226847 558526727 /nfs/dbraw/zinc/52/67/27/558526727.db2.gz WXMMODJUINQLAY-UHFFFAOYSA-N 1 0 404.436 4.445 40 0 HIABRO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000039768835 558686338 /nfs/dbraw/zinc/68/63/38/558686338.db2.gz OMNDWWTXUHVVRN-UHFFFAOYSA-N 1 0 415.940 4.040 40 0 HIABRO COc1cc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)ccc1OC(C)C ZINC000039743286 558686784 /nfs/dbraw/zinc/68/67/84/558686784.db2.gz NOAJVLKFMUNMRD-UHFFFAOYSA-N 1 0 410.558 4.319 40 0 HIABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000039759622 558689920 /nfs/dbraw/zinc/68/99/20/558689920.db2.gz WNSKJQVDTXXBDD-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO CCCOc1ccc2cc(S(=O)(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2c1 ZINC000028295934 558698765 /nfs/dbraw/zinc/69/87/65/558698765.db2.gz ZMOYOWBYKKFHSF-UHFFFAOYSA-N 1 0 404.576 4.216 40 0 HIABRO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030942555 558745701 /nfs/dbraw/zinc/74/57/01/558745701.db2.gz RELGROFZNYGTOS-SFHVURJKSA-N 1 0 411.521 4.205 40 0 HIABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038857299 558819375 /nfs/dbraw/zinc/81/93/75/558819375.db2.gz WDIKLVVJRCANMU-LJQANCHMSA-N 1 0 415.940 4.040 40 0 HIABRO Cc1cc(-c2cnc(NC(C)C)nc2C2CC[NH+](Cc3ccc(O)cc3)CC2)on1 ZINC000019123232 558844003 /nfs/dbraw/zinc/84/40/03/558844003.db2.gz VXDYKWQGTJMEJV-UHFFFAOYSA-N 1 0 407.518 4.346 40 0 HIABRO COc1cc(C)ccc1C[NH+]1CCC(c2cc(N(C)C)nc(-c3cccnc3)n2)CC1 ZINC000019133899 558845778 /nfs/dbraw/zinc/84/57/78/558845778.db2.gz FOYDDOKQNABUOH-UHFFFAOYSA-N 1 0 417.557 4.301 40 0 HIABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000019234960 558854180 /nfs/dbraw/zinc/85/41/80/558854180.db2.gz OAVJKABNINHNRL-SANMLTNESA-N 1 0 414.553 4.023 40 0 HIABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019236845 558856038 /nfs/dbraw/zinc/85/60/38/558856038.db2.gz LXFLZVAOCGTPQK-YKSBVNFPSA-N 1 0 400.526 4.168 40 0 HIABRO O=c1cc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc(-c2ccncc2)[nH]1 ZINC000019292613 558864407 /nfs/dbraw/zinc/86/44/07/558864407.db2.gz WUTCATSAZACOIB-AWEZNQCLSA-N 1 0 401.297 4.128 40 0 HIABRO OCC[NH+]1CCN(CCCN2c3sccc3Sc3ccc(Cl)cc32)CC1 ZINC000019364887 558876844 /nfs/dbraw/zinc/87/68/44/558876844.db2.gz DIQFKXCCEQYEPS-UHFFFAOYSA-N 1 0 410.008 4.004 40 0 HIABRO COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C(C)C)n2)cc1 ZINC000019453482 558890762 /nfs/dbraw/zinc/89/07/62/558890762.db2.gz DIGHLUWQXHAPLO-QFIPXVFZSA-N 1 0 416.525 4.457 40 0 HIABRO COc1ccc2nc(C[N@@H+](Cc3ccc(OC)c(OC)c3)C[C@@H]3CCCO3)ccc2c1 ZINC000057811193 558890938 /nfs/dbraw/zinc/89/09/38/558890938.db2.gz KFKXXLRLHVGRPK-QFIPXVFZSA-N 1 0 422.525 4.442 40 0 HIABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)no2)CC1 ZINC000019496745 558895734 /nfs/dbraw/zinc/89/57/34/558895734.db2.gz YXGUVGBUQVCGFZ-NRFANRHFSA-N 1 0 418.541 4.475 40 0 HIABRO CCN1CC[N@H+](CC2=CCCOC2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527661 558908881 /nfs/dbraw/zinc/90/88/81/558908881.db2.gz HVZUKXKRVANQBG-DEOSSOPVSA-N 1 0 404.554 4.023 40 0 HIABRO CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019529145 558910783 /nfs/dbraw/zinc/91/07/83/558910783.db2.gz TXVIREXLJIDLMN-SANMLTNESA-N 1 0 414.553 4.023 40 0 HIABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccc2F)C1 ZINC000019529151 558910902 /nfs/dbraw/zinc/91/09/02/558910902.db2.gz PRALENAWXWVANA-SANMLTNESA-N 1 0 417.528 4.459 40 0 HIABRO CCOc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccccc3F)CC1)CCC2 ZINC000019532439 558912691 /nfs/dbraw/zinc/91/26/91/558912691.db2.gz HNAHQBZXJMCFTE-UHFFFAOYSA-N 1 0 410.533 4.341 40 0 HIABRO COc1ccccc1NC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019571301 558929849 /nfs/dbraw/zinc/92/98/49/558929849.db2.gz RWBLUICYQGUWEZ-KRWDZBQOSA-N 1 0 409.461 4.454 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019579620 558935275 /nfs/dbraw/zinc/93/52/75/558935275.db2.gz KDYYWAODJDBSLC-SANMLTNESA-N 1 0 414.553 4.057 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 ZINC000072346167 558942845 /nfs/dbraw/zinc/94/28/45/558942845.db2.gz DVLIYRYKBBACCW-LJQANCHMSA-N 1 0 419.504 4.203 40 0 HIABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000072350407 558947365 /nfs/dbraw/zinc/94/73/65/558947365.db2.gz LYQKSVKLYXIKQQ-FQEVSTJZSA-N 1 0 411.977 4.374 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cn(C)c3ccc(F)cc23)C1 ZINC000072352531 558948937 /nfs/dbraw/zinc/94/89/37/558948937.db2.gz HYZDYNYYAKPYKD-AWEZNQCLSA-N 1 0 422.529 4.276 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072352542 558948966 /nfs/dbraw/zinc/94/89/66/558948966.db2.gz VJGVAOPAGDXNNB-MRXNPFEDSA-N 1 0 402.523 4.194 40 0 HIABRO Cc1cc(C)n(C2CC[NH+](Cc3ccc(OC(C)C)c(Cn4cccn4)c3)CC2)n1 ZINC000019658081 558949891 /nfs/dbraw/zinc/94/98/91/558949891.db2.gz MWTKJPQUENXXFD-UHFFFAOYSA-N 1 0 407.562 4.369 40 0 HIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@H](c2cncc(Nc3ncccc3C)n2)C1 ZINC000072354369 558951649 /nfs/dbraw/zinc/95/16/49/558951649.db2.gz MDZSFPFZOHDQIM-SFHVURJKSA-N 1 0 419.529 4.320 40 0 HIABRO Cc1nc(C2CC[NH+](CC(C)C)CC2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000072371941 558959279 /nfs/dbraw/zinc/95/92/79/558959279.db2.gz QTUNHHILQUVMCR-UHFFFAOYSA-N 1 0 406.574 4.142 40 0 HIABRO Cc1c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)cnn1C ZINC000019694051 558962093 /nfs/dbraw/zinc/96/20/93/558962093.db2.gz FIYMIZANHATITH-GOSISDBHSA-N 1 0 424.980 4.285 40 0 HIABRO Cc1cnc(NC(=O)CN2CCC[C@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)s1 ZINC000072374876 558962922 /nfs/dbraw/zinc/96/29/22/558962922.db2.gz GPYIJEHMAUGIND-KRWDZBQOSA-N 1 0 422.558 4.112 40 0 HIABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000072374917 558963237 /nfs/dbraw/zinc/96/32/37/558963237.db2.gz WHIFVUSJHPELAC-GOSISDBHSA-N 1 0 405.477 4.011 40 0 HIABRO FC(F)(F)c1cccnc1Nc1nccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072377622 558966709 /nfs/dbraw/zinc/96/67/09/558966709.db2.gz XCGZJWRACIQXDH-MRXNPFEDSA-N 1 0 414.435 4.409 40 0 HIABRO C[C@@H](C[N@@H+]1CCN(C)C(=O)[C@H](Cc2ccccc2-c2ccncc2)C1)c1ccccc1 ZINC000072388967 558969372 /nfs/dbraw/zinc/96/93/72/558969372.db2.gz XYROXZOIPUUQIU-SQJMNOBHSA-N 1 0 413.565 4.485 40 0 HIABRO CNc1cc(CN(C)Cc2ccc(-c3ccccc3)cc2)nc(C2CC[NH2+]CC2)n1 ZINC000019710162 558971866 /nfs/dbraw/zinc/97/18/66/558971866.db2.gz AAAOKDPGGCXBEH-UHFFFAOYSA-N 1 0 401.558 4.284 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072394069 558973325 /nfs/dbraw/zinc/97/33/25/558973325.db2.gz BUALUNSRGCJFMP-RUZDIDTESA-N 1 0 419.525 4.433 40 0 HIABRO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)nc2ccccn12 ZINC000585100475 559024011 /nfs/dbraw/zinc/02/40/11/559024011.db2.gz LDQQSHNZXIKRHI-RUZDIDTESA-N 1 0 420.532 4.329 40 0 HIABRO Cc1cc(C)cc(C(=O)N2CCC[C@@]3(C2)C[N@H+](C)Cc2c(-c4ccccc4)ncn23)c1 ZINC000585107562 559028083 /nfs/dbraw/zinc/02/80/83/559028083.db2.gz ZUEDYBATCIIGEP-SANMLTNESA-N 1 0 414.553 4.244 40 0 HIABRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C(=O)C1)[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951397 559089359 /nfs/dbraw/zinc/08/93/59/559089359.db2.gz LGIPDQNXWCIKGX-AOHZBQACSA-N 1 0 420.553 4.481 40 0 HIABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000096037085 559090910 /nfs/dbraw/zinc/09/09/10/559090910.db2.gz CIIJQXUZICKNPQ-UHFFFAOYSA-N 1 0 404.533 4.434 40 0 HIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053481 559093525 /nfs/dbraw/zinc/09/35/25/559093525.db2.gz MVRXNGFMMWXHDR-NRFANRHFSA-N 1 0 407.558 4.241 40 0 HIABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3ccoc3)CC1)nc2-c1cnn(C)c1 ZINC000096100045 559095467 /nfs/dbraw/zinc/09/54/67/559095467.db2.gz TWCHDXBNZIPJFO-UHFFFAOYSA-N 1 0 404.518 4.385 40 0 HIABRO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc(-c3noc4cc(-c5ccccc5)ccc43)s2)C1 ZINC000096154525 559099007 /nfs/dbraw/zinc/09/90/07/559099007.db2.gz FUTSVZFTFRCLSV-QGZVFWFLSA-N 1 0 418.522 4.394 40 0 HIABRO COc1ccc(-c2nc(C3CC[NH+](Cc4cccnc4)CC3)cc3c2ncn3C)cc1 ZINC000096267141 559107983 /nfs/dbraw/zinc/10/79/83/559107983.db2.gz OUWJGJZDGDXPPD-UHFFFAOYSA-N 1 0 413.525 4.419 40 0 HIABRO Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[NH+]3CCCCCC3)CC2)n1 ZINC000100738840 559138991 /nfs/dbraw/zinc/13/89/91/559138991.db2.gz NHLMPFWQARAFGX-GRGXKFILSA-N 1 0 421.589 4.113 40 0 HIABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216425 559169603 /nfs/dbraw/zinc/16/96/03/559169603.db2.gz GMERJXONBTURRL-FQEVSTJZSA-N 1 0 402.583 4.322 40 0 HIABRO C[N@@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCc4cccc(F)c4)CCOCC3)c2)C1 ZINC000072372244 559186333 /nfs/dbraw/zinc/18/63/33/559186333.db2.gz BCVWODJOYBECBP-HSZRJFAPSA-N 1 0 424.560 4.291 40 0 HIABRO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002292106 560559504 /nfs/dbraw/zinc/55/95/04/560559504.db2.gz KAXRRCKEVIGITN-FYSMJZIKSA-N 1 0 411.546 4.492 40 0 HIABRO CCCN(C(=O)c1cccc(F)c1)C1(C(=O)Nc2ccccc2)CC[NH+](CC)CC1 ZINC000005978669 568454427 /nfs/dbraw/zinc/45/44/27/568454427.db2.gz HSCYTOKWWXTESU-UHFFFAOYSA-N 1 0 411.521 4.171 40 0 HIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)C1 ZINC000219242379 568488433 /nfs/dbraw/zinc/48/84/33/568488433.db2.gz OQBGUECYAOREBG-INIZCTEOSA-N 1 0 410.543 4.302 40 0 HIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCN3CCCc4ccccc43)cc2)C1 ZINC000219243040 568488529 /nfs/dbraw/zinc/48/85/29/568488529.db2.gz XAACEJAIAGJYBI-OAQYLSRUSA-N 1 0 405.586 4.491 40 0 HIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cc2ccc(C)cc2nc1OC ZINC000022931850 568500850 /nfs/dbraw/zinc/50/08/50/568500850.db2.gz BMZOAGUNRSIFJS-QHCPKHFHSA-N 1 0 404.558 4.433 40 0 HIABRO Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222600883 568520114 /nfs/dbraw/zinc/52/01/14/568520114.db2.gz UFBWFOFJLRQXFK-FQEVSTJZSA-N 1 0 422.504 4.055 40 0 HIABRO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1 ZINC000223235434 568541976 /nfs/dbraw/zinc/54/19/76/568541976.db2.gz OFPFTROUZTTWLU-DHIUTWEWSA-N 1 0 419.598 4.105 40 0 HIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223283154 568544113 /nfs/dbraw/zinc/54/41/13/568544113.db2.gz UPQSLZJURPDHBY-RTWAWAEBSA-N 1 0 410.518 4.015 40 0 HIABRO CC(C)CSc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000223447567 568549189 /nfs/dbraw/zinc/54/91/89/568549189.db2.gz RORIIYQYAFWKPV-HNNXBMFYSA-N 1 0 408.568 4.276 40 0 HIABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000224434366 568581198 /nfs/dbraw/zinc/58/11/98/568581198.db2.gz LFRFSWGQPBARQM-SFHVURJKSA-N 1 0 408.542 4.444 40 0 HIABRO COc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C(C)C ZINC000224518681 568583494 /nfs/dbraw/zinc/58/34/94/568583494.db2.gz BULLMSIAZSFINB-UHFFFAOYSA-N 1 0 416.587 4.201 40 0 HIABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000225561104 568651159 /nfs/dbraw/zinc/65/11/59/568651159.db2.gz JXUFGDJHPYZJIV-UHFFFAOYSA-N 1 0 408.542 4.238 40 0 HIABRO Cc1cc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)ccc1Br ZINC000225742913 568670461 /nfs/dbraw/zinc/67/04/61/568670461.db2.gz VRQFPJBITNGDLH-UHFFFAOYSA-N 1 0 418.404 4.492 40 0 HIABRO O=C(NCCNc1ccnc2cc(Cl)ccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225902153 568684823 /nfs/dbraw/zinc/68/48/23/568684823.db2.gz MHFXNEGLOUUYSD-LJQANCHMSA-N 1 0 422.960 4.329 40 0 HIABRO CCC(C(=O)Nc1ccc(OCC[NH+](C)C)nc1)(c1ccccc1)c1ccccc1 ZINC000225935405 568687351 /nfs/dbraw/zinc/68/73/51/568687351.db2.gz PMDMOPNAQXJQNJ-UHFFFAOYSA-N 1 0 403.526 4.357 40 0 HIABRO COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)C[NH+]2CCCCCC2)o1 ZINC000257214177 568780209 /nfs/dbraw/zinc/78/02/09/568780209.db2.gz CKXDOWBIDJDDFA-NRFANRHFSA-N 1 0 411.546 4.204 40 0 HIABRO COc1ccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)cn1 ZINC000257221780 568782469 /nfs/dbraw/zinc/78/24/69/568782469.db2.gz DQLZIEMBULYUJG-FMLGWJCWSA-N 1 0 419.569 4.179 40 0 HIABRO CC(C)n1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257238825 568787282 /nfs/dbraw/zinc/78/72/82/568787282.db2.gz HMRVQJPTSYWQIF-OXGLLWLOSA-N 1 0 406.574 4.211 40 0 HIABRO Cc1ccc2[nH]nc(C(=O)N3CC[C@H](c4cc(Nc5nccs5)cc(C)[nH+]4)C3)c2c1 ZINC000257267481 568794918 /nfs/dbraw/zinc/79/49/18/568794918.db2.gz MHMHPCZSTONKAA-HNNXBMFYSA-N 1 0 418.526 4.405 40 0 HIABRO 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 568797014 /nfs/dbraw/zinc/79/70/14/568797014.db2.gz NNHNXGLBVHWBNS-MAAHOPOVSA-N 1 0 407.558 4.497 40 0 HIABRO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257295086 568802961 /nfs/dbraw/zinc/80/29/61/568802961.db2.gz QWYCPJQXAWDYGZ-KRWDZBQOSA-N 1 0 420.554 4.039 40 0 HIABRO CCn1cc(CN2CCO[C@@H](c3cc(Cc4cccc(OC)c4)cc(C)n3)C2)c(C)n1 ZINC000257312161 568807901 /nfs/dbraw/zinc/80/79/01/568807901.db2.gz UMSSXYWJXDLRDR-RUZDIDTESA-N 1 0 420.557 4.088 40 0 HIABRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 ZINC000004058378 568934023 /nfs/dbraw/zinc/93/40/23/568934023.db2.gz MVANGJDUHJVWID-UHFFFAOYSA-N 1 0 401.510 4.270 40 0 HIABRO CC[C@H](OC[C@@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1)c1ccccc1 ZINC000026781621 569025660 /nfs/dbraw/zinc/02/56/60/569025660.db2.gz XDGHMINXQDHNKB-GMAHTHKFSA-N 1 0 402.966 4.299 40 0 HIABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(Br)cc1Br ZINC000035052977 569027804 /nfs/dbraw/zinc/02/78/04/569027804.db2.gz FHWCVDLJGBHESL-OBJOEFQTSA-N 1 0 421.173 4.214 40 0 HIABRO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009062650 569342207 /nfs/dbraw/zinc/34/22/07/569342207.db2.gz WIXXHXJFJSCQNR-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009063037 569342302 /nfs/dbraw/zinc/34/23/02/569342302.db2.gz ZXQSRAAYSLEMQH-LJQANCHMSA-N 1 0 407.558 4.374 40 0 HIABRO COc1ccc(OCCc2sc([C@@]3(O)CCC[N@H+](CC4CC4)CC3)nc2C)cc1 ZINC000019738677 569348582 /nfs/dbraw/zinc/34/85/82/569348582.db2.gz JCZXOHUKIGSKCC-HSZRJFAPSA-N 1 0 416.587 4.165 40 0 HIABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(Cc1ccccc1-c1ccccc1F)C2 ZINC000019707115 569428940 /nfs/dbraw/zinc/42/89/40/569428940.db2.gz VKHIQYYCYDLXEG-JOCHJYFZSA-N 1 0 417.532 4.307 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccnc2)n1 ZINC000329018909 571304498 /nfs/dbraw/zinc/30/44/98/571304498.db2.gz NTNAEMHDRDASGB-UHFFFAOYSA-N 1 0 416.451 4.665 40 0 HIABRO Cn1nc(-c2cccs2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 ZINC000012601943 845878206 /nfs/dbraw/zinc/87/82/06/845878206.db2.gz OOUJOVAVRMSYTE-UHOSZYNNSA-N 1 0 421.570 4.148 40 0 biogenic,in-vitro HIABRO CCCNC(=O)[C@@H]1Cc2cn(Cc3cccnc3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171601 291263067 /nfs/dbraw/zinc/26/30/67/291263067.db2.gz YYFNKONCHCSDQT-VXKWHMMOSA-N 1 0 404.558 4.212 40 0 biogenic,in-vitro HIABRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC[C@H]1COC(=O)N21 ZINC000225491806 291266821 /nfs/dbraw/zinc/26/68/21/291266821.db2.gz JTJLVALDWJTHKI-INIZCTEOSA-N 1 0 422.403 4.325 40 0 biogenic,in-vitro HIABRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000010113909 132345350 /nfs/dbraw/zinc/34/53/50/132345350.db2.gz ZTWQKXIWDDVAHY-UHFFFAOYSA-N 1 0 417.475 4.264 40 0 HIABRO CCC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291569 132358004 /nfs/dbraw/zinc/35/80/04/132358004.db2.gz YDNVURKSBJDNJA-XMMPIXPASA-N 1 0 408.517 4.338 40 0 HIABRO CC1(C)CC(CC(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)CC(C)(C)[NH2+]1 ZINC000072375693 520280258 /nfs/dbraw/zinc/28/02/58/520280258.db2.gz OANMAFHAYWJLKE-LJQANCHMSA-N 1 0 422.577 4.226 40 0 HIABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000072350408 523748421 /nfs/dbraw/zinc/74/84/21/523748421.db2.gz LYQKSVKLYXIKQQ-HXUWFJFHSA-N 1 0 411.977 4.374 40 0 HIABRO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044852556 525304398 /nfs/dbraw/zinc/30/43/98/525304398.db2.gz PHYBJJNKUCWLAG-GOSISDBHSA-N 1 0 400.950 4.444 40 0 HIABRO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+]CCCn4ccnc4)cc3)sc2c1 ZINC000032117930 526240742 /nfs/dbraw/zinc/24/07/42/526240742.db2.gz CGRHLYUFUZIKDQ-UHFFFAOYSA-N 1 0 405.527 4.087 40 0 HIABRO Fc1ccc(-n2cc(C[N@H+](CCCn3ccnc3)Cc3cccc(F)c3)cn2)cc1 ZINC000043277722 526319467 /nfs/dbraw/zinc/31/94/67/526319467.db2.gz GPDMNNGSHALNPR-UHFFFAOYSA-N 1 0 407.468 4.440 40 0 HIABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000036719520 527011873 /nfs/dbraw/zinc/01/18/73/527011873.db2.gz DBAKZBZRXBMCFF-PXNSSMCTSA-N 1 0 410.518 4.061 40 0 HIABRO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002378071 557342135 /nfs/dbraw/zinc/34/21/35/557342135.db2.gz KZMDEOGGKBLHDW-IQMFZBJNSA-N 1 0 415.509 4.323 40 0 HIABRO O=C([C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000002735040 557373865 /nfs/dbraw/zinc/37/38/65/557373865.db2.gz LRPAONHLJBPZIP-QHCPKHFHSA-N 1 0 420.553 4.109 40 0 HIABRO CC1CC[NH+](Cc2cccc(NC(=O)Cn3c(=O)oc4ccc(Cl)cc43)c2)CC1 ZINC000035317051 557691805 /nfs/dbraw/zinc/69/18/05/557691805.db2.gz DCGYBQLPYHLWHD-UHFFFAOYSA-N 1 0 413.905 4.119 40 0 HIABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008497871 557793479 /nfs/dbraw/zinc/79/34/79/557793479.db2.gz XESRSMMHLQHIMM-LBPRGKRZSA-N 1 0 414.727 4.161 40 0 HIABRO CCCn1ncc2ccc([C@@H]3CCC[N@H+](Cc4ccc(-n5cccn5)cc4)C3)nc21 ZINC000019742485 558262692 /nfs/dbraw/zinc/26/26/92/558262692.db2.gz ZCPPQGMTPNVNIE-OAQYLSRUSA-N 1 0 400.530 4.407 40 0 HIABRO Nc1ncnc2nc([C@H]3CCC[N@H+](CCCc4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000019743261 558263810 /nfs/dbraw/zinc/26/38/10/558263810.db2.gz WNQTVFCSSCSBNS-INIZCTEOSA-N 1 0 415.463 4.438 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](CC3CCCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019753114 558272202 /nfs/dbraw/zinc/27/22/02/558272202.db2.gz BNPHORCMKFPLJF-JOCHJYFZSA-N 1 0 406.574 4.475 40 0 HIABRO Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000019756701 558274560 /nfs/dbraw/zinc/27/45/60/558274560.db2.gz CBSQSORVISKYPT-NRFANRHFSA-N 1 0 424.564 4.100 40 0 HIABRO CC(C)NC(=O)c1cc([C@@H]2CC[N@H+](Cc3cnc(C(C)C)nc3)C2)nc2ccccc21 ZINC000019761893 558276891 /nfs/dbraw/zinc/27/68/91/558276891.db2.gz MNJZWIBCTQCWHZ-LJQANCHMSA-N 1 0 417.557 4.276 40 0 HIABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1Cc1c(C)n[nH]c1C ZINC000012240595 558360191 /nfs/dbraw/zinc/36/01/91/558360191.db2.gz UMKXJPDWSXPFAC-UHFFFAOYSA-N 1 0 423.532 4.249 40 0 HIABRO CCn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c2ccccc21 ZINC000012293259 558366192 /nfs/dbraw/zinc/36/61/92/558366192.db2.gz VNPLEWQRMDTNRK-PKTZIBPZSA-N 1 0 406.526 4.045 40 0 HIABRO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(C)ccc1O2 ZINC000012293210 558366256 /nfs/dbraw/zinc/36/62/56/558366256.db2.gz WSYWKFGNAAFGFH-YADHBBJMSA-N 1 0 406.526 4.169 40 0 HIABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000012293467 558366441 /nfs/dbraw/zinc/36/64/41/558366441.db2.gz HMNPXFXUPBWCOM-NHCUHLMSSA-N 1 0 401.934 4.341 40 0 HIABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329563 558384311 /nfs/dbraw/zinc/38/43/11/558384311.db2.gz FEMTVXDWWBMSAV-DHIUTWEWSA-N 1 0 411.542 4.086 40 0 HIABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000012329960 558384829 /nfs/dbraw/zinc/38/48/29/558384829.db2.gz ZIYXCMVAUUECTJ-NHCUHLMSSA-N 1 0 417.933 4.041 40 0 HIABRO COc1ccc(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1OC(C)C ZINC000012344671 558386427 /nfs/dbraw/zinc/38/64/27/558386427.db2.gz BYRVOZUKUSGNCY-UHFFFAOYSA-N 1 0 414.521 4.249 40 0 HIABRO CCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000039747775 558686917 /nfs/dbraw/zinc/68/69/17/558686917.db2.gz QFWSWXSXDWAOQS-UHFFFAOYSA-N 1 0 407.558 4.376 40 0 HIABRO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039748292 558686951 /nfs/dbraw/zinc/68/69/51/558686951.db2.gz SPDARONGMZSLKO-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000036612113 558725012 /nfs/dbraw/zinc/72/50/12/558725012.db2.gz HSIPWHAYSXDDFS-UHFFFAOYSA-N 1 0 421.545 4.185 40 0 HIABRO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030942552 558745675 /nfs/dbraw/zinc/74/56/75/558745675.db2.gz RELGROFZNYGTOS-GOSISDBHSA-N 1 0 411.521 4.205 40 0 HIABRO COc1cc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1O ZINC000036740510 558801911 /nfs/dbraw/zinc/80/19/11/558801911.db2.gz YOIJVXRWTHHDJW-UHFFFAOYSA-N 1 0 413.562 4.116 40 0 HIABRO Cc1nccn1Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000038831791 558817065 /nfs/dbraw/zinc/81/70/65/558817065.db2.gz LNHFFVWFJBRPSI-UHFFFAOYSA-N 1 0 402.542 4.156 40 0 HIABRO Cc1cccc(CSCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038851626 558818907 /nfs/dbraw/zinc/81/89/07/558818907.db2.gz MEPTWRAQGATCJF-NRFANRHFSA-N 1 0 400.563 4.396 40 0 HIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019133997 558845965 /nfs/dbraw/zinc/84/59/65/558845965.db2.gz SLWNWAFYIJVZJF-FQEVSTJZSA-N 1 0 417.557 4.301 40 0 HIABRO Cc1cccc(C[NH+]2CCC([C@@H](NC(=O)c3ccccc3C)c3ccccn3)CC2)n1 ZINC000019236872 558856168 /nfs/dbraw/zinc/85/61/68/558856168.db2.gz KGLONEYOHUIMEK-RUZDIDTESA-N 1 0 414.553 4.477 40 0 HIABRO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000019293409 558865177 /nfs/dbraw/zinc/86/51/77/558865177.db2.gz QXSVQCDDYQXVHJ-SFHVURJKSA-N 1 0 410.905 4.033 40 0 HIABRO O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019343543 558872507 /nfs/dbraw/zinc/87/25/07/558872507.db2.gz VFCNBDDHJIKDHC-DNVJHFABSA-N 1 0 421.541 4.413 40 0 HIABRO O=C(CCc1nc(-c2ccncc2)no1)Nc1ccccc1C[NH+]1CCCCCC1 ZINC000019349112 558874807 /nfs/dbraw/zinc/87/48/07/558874807.db2.gz MKTLLKWRJHCGEJ-UHFFFAOYSA-N 1 0 405.502 4.079 40 0 HIABRO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)Nc1ccccc1-c1ccccc1 ZINC000019374318 558881319 /nfs/dbraw/zinc/88/13/19/558881319.db2.gz HYGKGAYYHVCINS-UHFFFAOYSA-N 1 0 411.509 4.374 40 0 HIABRO C[C@H](C[NH+]1CCC([C@H](NC(=O)c2ccccn2)c2ccccn2)CC1)c1ccccc1 ZINC000019456081 558891828 /nfs/dbraw/zinc/89/18/28/558891828.db2.gz VUFBHDOSMCVXAB-NLFFAJNJSA-N 1 0 414.553 4.463 40 0 HIABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccs2)C1 ZINC000019529177 558910776 /nfs/dbraw/zinc/91/07/76/558910776.db2.gz NBGLVYHADAYOHG-DEOSSOPVSA-N 1 0 405.567 4.381 40 0 HIABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)cc1 ZINC000019555475 558918251 /nfs/dbraw/zinc/91/82/51/558918251.db2.gz SCQHGJZTISFDLD-VABKMULXSA-N 1 0 410.583 4.373 40 0 HIABRO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000019557767 558919617 /nfs/dbraw/zinc/91/96/17/558919617.db2.gz MTCAFCIIESNPLC-UBFVSLLYSA-N 1 0 419.569 4.097 40 0 HIABRO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4cccnc4)C[C@@H]32)c1 ZINC000019566371 558926144 /nfs/dbraw/zinc/92/61/44/558926144.db2.gz AXCHHMTYFGNIQM-UBFVSLLYSA-N 1 0 419.569 4.097 40 0 HIABRO C[NH+]1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2N)CC1 ZINC000072229431 558932040 /nfs/dbraw/zinc/93/20/40/558932040.db2.gz MOQHGQVBTSPHPP-UHFFFAOYSA-N 1 0 413.736 4.233 40 0 HIABRO COc1ccc(C[NH+]2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c(C)c1C ZINC000019577324 558933160 /nfs/dbraw/zinc/93/31/60/558933160.db2.gz MARSGIHISQIRBY-UHFFFAOYSA-N 1 0 410.543 4.311 40 0 HIABRO O=C(c1ccccn1)N1C[C@@H]2CCCC[N@@H+](Cc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000072330649 558935141 /nfs/dbraw/zinc/93/51/41/558935141.db2.gz HFCFUODOKCOKJU-FXAWDEMLSA-N 1 0 403.448 4.227 40 0 HIABRO CN1CC[N@H+](Cc2c[nH]c3ccccc23)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589542 558940328 /nfs/dbraw/zinc/94/03/28/558940328.db2.gz TVHCCPDAIDOGNE-QHCPKHFHSA-N 1 0 424.548 4.363 40 0 HIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019591284 558941664 /nfs/dbraw/zinc/94/16/64/558941664.db2.gz GQAJVDJIZNZPIR-AREMUKBSSA-N 1 0 417.528 4.459 40 0 HIABRO Clc1ccc(-c2nc(N3CCOCC3)s[n+]2Cc2ccccc2)c(Cl)c1 ZINC000001471272 558943417 /nfs/dbraw/zinc/94/34/17/558943417.db2.gz CAIJDGYYCQPPNP-UHFFFAOYSA-N 1 0 407.346 4.289 40 0 HIABRO C[NH+]1CCC(C(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)CC1 ZINC000072350406 558947491 /nfs/dbraw/zinc/94/74/91/558947491.db2.gz GXGWAFHYTFBUBT-UHFFFAOYSA-N 1 0 411.977 4.374 40 0 HIABRO COc1cccc(CC[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000072351295 558947636 /nfs/dbraw/zinc/94/76/36/558947636.db2.gz WMHJNFNJQGRZOZ-IBGZPJMESA-N 1 0 411.546 4.168 40 0 HIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cc(Cc3ccc(OC)cc3)cc(C)n2)C1 ZINC000072353811 558950873 /nfs/dbraw/zinc/95/08/73/558950873.db2.gz KLJBKKSKHMZRAA-JOCHJYFZSA-N 1 0 409.574 4.037 40 0 HIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H](c2cncc(Nc3ncccc3C)n2)C1 ZINC000072354368 558951629 /nfs/dbraw/zinc/95/16/29/558951629.db2.gz MDZSFPFZOHDQIM-GOSISDBHSA-N 1 0 419.529 4.320 40 0 HIABRO COc1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1OCc1c(C)noc1C ZINC000019664449 558954789 /nfs/dbraw/zinc/95/47/89/558954789.db2.gz MIGNANVOJQHZIY-HSZRJFAPSA-N 1 0 421.541 4.368 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072359734 558955421 /nfs/dbraw/zinc/95/54/21/558955421.db2.gz NPEMVKWBZARPCD-QGZVFWFLSA-N 1 0 401.436 4.276 40 0 HIABRO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1cccnc1 ZINC000072380064 558967989 /nfs/dbraw/zinc/96/79/89/558967989.db2.gz HBRSZYSANCMWMA-LJQANCHMSA-N 1 0 423.582 4.006 40 0 HIABRO CC(C)Oc1cccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4cccnc4)n3)CC2)c1 ZINC000072392813 558972293 /nfs/dbraw/zinc/97/22/93/558972293.db2.gz FHFJHKDWLXTRRR-UHFFFAOYSA-N 1 0 404.514 4.411 40 0 HIABRO Cc1c(C(=O)NC2CC[NH+](CC3(c4ccc(C)cc4)CCCCC3)CC2)cnn1C ZINC000072393569 558972994 /nfs/dbraw/zinc/97/29/94/558972994.db2.gz SUUGNKHSXMMYIR-UHFFFAOYSA-N 1 0 408.590 4.133 40 0 HIABRO O=C1CCCN1c1ccc(C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000019715900 558977339 /nfs/dbraw/zinc/97/73/39/558977339.db2.gz FMPWWSHAZHXBFT-UHFFFAOYSA-N 1 0 403.448 4.154 40 0 HIABRO C[C@H](CC[NH+]1CCCCCC1)NC(=O)c1cc(-c2ccnn2C)nc2ccccc21 ZINC000019717671 558980570 /nfs/dbraw/zinc/98/05/70/558980570.db2.gz TZURVZUMFATPLS-GOSISDBHSA-N 1 0 405.546 4.020 40 0 HIABRO Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000019718806 558982379 /nfs/dbraw/zinc/98/23/79/558982379.db2.gz JLXYGLKLRDEQGH-UHFFFAOYSA-N 1 0 410.905 4.093 40 0 HIABRO Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCC[NH+](C)C)cc43)co2)cc1 ZINC000096037818 559091601 /nfs/dbraw/zinc/09/16/01/559091601.db2.gz ZQVCEKPAEKQMGV-UHFFFAOYSA-N 1 0 404.470 4.140 40 0 HIABRO O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071299 559094372 /nfs/dbraw/zinc/09/43/72/559094372.db2.gz OBQXJZKVUBUZDM-NRFANRHFSA-N 1 0 404.963 4.159 40 0 HIABRO C[NH+](C)C1CCN(C(=O)c2cc(-c3ccnn3C3CCCC3)n3ccccc23)CC1 ZINC000096154783 559099101 /nfs/dbraw/zinc/09/91/01/559099101.db2.gz KXNNVEQDLPGJQE-UHFFFAOYSA-N 1 0 405.546 4.084 40 0 HIABRO Cc1ccccc1-c1ccc2c(c1)onc2-c1ncc(C(=O)NCC[NH+](C)C)s1 ZINC000096154653 559099147 /nfs/dbraw/zinc/09/91/47/559099147.db2.gz UHCSCHYEDFHOIN-UHFFFAOYSA-N 1 0 406.511 4.218 40 0 HIABRO Cc1cc(Nc2ncc(Cl)s2)nc(CC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000585263573 559111684 /nfs/dbraw/zinc/11/16/84/559111684.db2.gz QEQIHVDBCVBXKL-UHFFFAOYSA-N 1 0 414.966 4.488 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585269990 559116119 /nfs/dbraw/zinc/11/61/19/559116119.db2.gz ACTNKNPGHIBDJX-QFIPXVFZSA-N 1 0 402.922 4.013 40 0 HIABRO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000072216451 559169528 /nfs/dbraw/zinc/16/95/28/559169528.db2.gz ZDKVISBVOQSMBQ-QFIPXVFZSA-N 1 0 422.573 4.476 40 0 HIABRO COC(=O)c1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc1 ZINC000072360800 559185871 /nfs/dbraw/zinc/18/58/71/559185871.db2.gz PEJAJCVSHXNNGR-QFIPXVFZSA-N 1 0 419.525 4.260 40 0 HIABRO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000072358900 559186057 /nfs/dbraw/zinc/18/60/57/559186057.db2.gz GRHPAZDGEFISDK-JOCHJYFZSA-N 1 0 400.526 4.055 40 0 HIABRO C[C@@H](C[NH+]1CCCC1)NC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257289063 559285800 /nfs/dbraw/zinc/28/58/00/559285800.db2.gz PWVDAHQPVAUMDT-FQEVSTJZSA-N 1 0 424.560 4.433 40 0 HIABRO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccccc2)CC[C@@]1(C)O ZINC000514289889 560031394 /nfs/dbraw/zinc/03/13/94/560031394.db2.gz LQKGFKYNYOTNSF-QNWVGRARSA-N 1 0 400.588 4.367 40 0 biogenic,in-vitro HIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231192 560602979 /nfs/dbraw/zinc/60/29/79/560602979.db2.gz XXKUZWDSEWTEOD-JOCHJYFZSA-N 1 0 418.541 4.355 40 0 HIABRO COC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)cc1)CN(C)CC2 ZINC000004223482 560735357 /nfs/dbraw/zinc/73/53/57/560735357.db2.gz KUGUTYACRPHCPL-UHFFFAOYSA-N 1 0 406.507 4.442 40 0 HIABRO Cc1c(C)n(C[C@@H](O)C[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2O)c2ccccc12 ZINC000005612618 568453017 /nfs/dbraw/zinc/45/30/17/568453017.db2.gz MEUDZLHQBCXDFC-DFCKQENNSA-N 1 0 406.570 4.425 40 0 HIABRO Cc1cccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)n2)c1 ZINC000219235521 568488336 /nfs/dbraw/zinc/48/83/36/568488336.db2.gz JRQORBKQLIGJKU-UHFFFAOYSA-N 1 0 404.514 4.207 40 0 HIABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219346042 568490381 /nfs/dbraw/zinc/49/03/81/568490381.db2.gz KREJPXSLDOFEBZ-HSZRJFAPSA-N 1 0 403.526 4.388 40 0 HIABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000219407718 568491367 /nfs/dbraw/zinc/49/13/67/568491367.db2.gz WTDRDOSDENUYCL-UHFFFAOYSA-N 1 0 424.570 4.367 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000219408900 568491419 /nfs/dbraw/zinc/49/14/19/568491419.db2.gz DGYPJQJMZAPHAC-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000222716107 568524539 /nfs/dbraw/zinc/52/45/39/568524539.db2.gz MJXJRXTZSHUKRT-INIZCTEOSA-N 1 0 414.933 4.201 40 0 HIABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000222716406 568524627 /nfs/dbraw/zinc/52/46/27/568524627.db2.gz DWJSJSAIPKBUME-INIZCTEOSA-N 1 0 414.933 4.201 40 0 HIABRO O=C(NCCOc1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223637791 568554352 /nfs/dbraw/zinc/55/43/52/568554352.db2.gz VQMHFLQYPDCYHY-JOCHJYFZSA-N 1 0 406.501 4.386 40 0 HIABRO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532409 568583859 /nfs/dbraw/zinc/58/38/59/568583859.db2.gz JOYIFSHEIZJTMP-UHFFFAOYSA-N 1 0 407.341 4.401 40 0 HIABRO CCn1c(=O)sc2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000225120034 568615569 /nfs/dbraw/zinc/61/55/69/568615569.db2.gz LPZDUSFRLYBMNV-MRXNPFEDSA-N 1 0 413.518 4.073 40 0 HIABRO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3cccc(Br)c3)cc2)CC1 ZINC000225622528 568657813 /nfs/dbraw/zinc/65/78/13/568657813.db2.gz YLDLSZZHYPYRLE-UHFFFAOYSA-N 1 0 403.320 4.103 40 0 HIABRO CCOC(=O)c1cc(NC(=S)NCCC[N@@H+]2CCCC[C@H]2CC)ccc1Cl ZINC000260742734 568737396 /nfs/dbraw/zinc/73/73/96/568737396.db2.gz YOGVCRAMJSOSEI-MRXNPFEDSA-N 1 0 411.999 4.458 40 0 HIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257212911 568779812 /nfs/dbraw/zinc/77/98/12/568779812.db2.gz CFKQTAORIQGJBB-HSZRJFAPSA-N 1 0 423.605 4.371 40 0 HIABRO CCNc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@H]3Cc2ccccc2)s1 ZINC000257231656 568785302 /nfs/dbraw/zinc/78/53/02/568785302.db2.gz GHQZRWMODQQAEU-BPJSAFFHSA-N 1 0 424.614 4.240 40 0 HIABRO 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 568785503 /nfs/dbraw/zinc/78/55/03/568785503.db2.gz GLMJGGGNIWHWHH-UCKMRUJXSA-N 1 0 407.533 4.289 40 0 HIABRO CCc1onc(C)c1-c1cccc(C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000257249179 568790185 /nfs/dbraw/zinc/79/01/85/568790185.db2.gz JHDQDZIOFOYZSZ-UHFFFAOYSA-N 1 0 410.562 4.045 40 0 HIABRO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)ccc2c1N ZINC000257265585 568794213 /nfs/dbraw/zinc/79/42/13/568794213.db2.gz LZHHXUUBJRVDSE-GOSISDBHSA-N 1 0 412.534 4.447 40 0 HIABRO CC(C)(C)c1nccc([C@H]2C[C@@H](C(=O)NCC3CCC3)[NH2+][C@H]2c2cccc(F)c2)n1 ZINC000257266032 568794385 /nfs/dbraw/zinc/79/43/85/568794385.db2.gz MBHRLBWJDLLBQH-GIVPXCGWSA-N 1 0 410.537 4.016 40 0 HIABRO COc1ccccc1Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)ccn1 ZINC000257296626 568803286 /nfs/dbraw/zinc/80/32/86/568803286.db2.gz RDPUNCURRPARGR-ZCYQVOJMSA-N 1 0 407.558 4.160 40 0 HIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257309143 568807077 /nfs/dbraw/zinc/80/70/77/568807077.db2.gz TZTAWFGQIRTNAN-GOSISDBHSA-N 1 0 401.938 4.111 40 0 HIABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccc(C)cc4)no3)C2)c(OC)c1OC ZINC000257337435 568815206 /nfs/dbraw/zinc/81/52/06/568815206.db2.gz YSTBUGWWJWBQEF-SFHVURJKSA-N 1 0 409.486 4.060 40 0 HIABRO Cc1nc(CN2c3ccccc3NC3(CC[NH+](CC4CCCC4)CC3)C2=O)cs1 ZINC000306123045 568886083 /nfs/dbraw/zinc/88/60/83/568886083.db2.gz ADHURWCXFGCXIG-UHFFFAOYSA-N 1 0 410.587 4.435 40 0 HIABRO Cc1nc2c(n1C(C)C)CN(C(=O)C1CCC1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306132534 568894806 /nfs/dbraw/zinc/89/48/06/568894806.db2.gz LLPBJUYUGHFFAK-UHFFFAOYSA-N 1 0 420.601 4.449 40 0 HIABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)nn2c1 ZINC000306134619 568896445 /nfs/dbraw/zinc/89/64/45/568896445.db2.gz NTROLERIIWCZLO-IBGZPJMESA-N 1 0 417.488 4.319 40 0 HIABRO CCc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306137425 568899387 /nfs/dbraw/zinc/89/93/87/568899387.db2.gz QVZMBQOTZORGJX-BVAGGSTKSA-N 1 0 420.601 4.255 40 0 HIABRO CCn1cc(-c2cc(C(=O)N[C@H](C)C[NH+]3CCC(C)CC3)c3ccccc3n2)c(C)n1 ZINC000002808404 568932384 /nfs/dbraw/zinc/93/23/84/568932384.db2.gz RALTZVGZHQZTEN-GOSISDBHSA-N 1 0 419.573 4.277 40 0 HIABRO Brc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329043636 568974345 /nfs/dbraw/zinc/97/43/45/568974345.db2.gz SSYPUVGUULSQJP-UHFFFAOYSA-N 1 0 401.352 4.317 40 0 HIABRO C[C@]1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC(c2ccccc2Cl)=NO1 ZINC000035316814 569052309 /nfs/dbraw/zinc/05/23/09/569052309.db2.gz KXQDXCQGWGMVPP-HSZRJFAPSA-N 1 0 411.933 4.135 40 0 HIABRO O=C(CCn1ccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198651 569058969 /nfs/dbraw/zinc/05/89/69/569058969.db2.gz FJWSWFYQJWQWGW-UBRJVWORSA-N 1 0 403.570 4.453 40 0 HIABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000009063428 569342458 /nfs/dbraw/zinc/34/24/58/569342458.db2.gz FTYASJONWOMZJR-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000012408191 569344849 /nfs/dbraw/zinc/34/48/49/569344849.db2.gz UQPOIYUGEBOZJL-TZIWHRDSSA-N 1 0 413.587 4.411 40 0 HIABRO Cc1nc(CC(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)cs1 ZINC000019713481 569348371 /nfs/dbraw/zinc/34/83/71/569348371.db2.gz JYMOHFRKEZZKMV-GPXNEJASSA-N 1 0 411.615 4.471 40 0 HIABRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)cc1CO ZINC000019713179 569348438 /nfs/dbraw/zinc/34/84/38/569348438.db2.gz DWTUEZSJLOFUEX-RPWUZVMVSA-N 1 0 422.569 4.123 40 0 HIABRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccccc3C)CC[C@]23CCC(=O)N3)cc1OC ZINC000019740305 569348663 /nfs/dbraw/zinc/34/86/63/569348663.db2.gz IGOZWCWWWMTSCZ-BKSPAHHJSA-N 1 0 408.542 4.087 40 0 HIABRO CNc1nc(Nc2ccc(C(=O)OC)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966688 571306342 /nfs/dbraw/zinc/30/63/42/571306342.db2.gz COBMKYUKUWPBSO-UHFFFAOYSA-N 1 0 418.375 4.614 40 0 HIABRO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCC4)n3)cn2)cc1 ZINC000049155284 291266007 /nfs/dbraw/zinc/26/60/07/291266007.db2.gz QCEMTOQRLNFJMA-IBGZPJMESA-N 1 0 419.485 4.082 40 0 biogenic,in-vitro HIABRO CC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CC=C(c4ccc(Cl)cc4)CC3)ccc21 ZINC000012291279 132357983 /nfs/dbraw/zinc/35/79/83/132357983.db2.gz YRIMDMHDNXVETN-XMMPIXPASA-N 1 0 410.945 4.462 40 0 HIABRO CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044786711 519742156 /nfs/dbraw/zinc/74/21/56/519742156.db2.gz FLTADQBQRBWLMN-IBGZPJMESA-N 1 0 411.521 4.062 40 0 HIABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=O)Nc3ccccc3F)cc2c1 ZINC000004231354 557530619 /nfs/dbraw/zinc/53/06/19/557530619.db2.gz ISHPXJLQCCZWSC-UHFFFAOYSA-N 1 0 422.504 4.106 40 0 HIABRO CCOc1ccc2ccccc2c1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000007541368 557746298 /nfs/dbraw/zinc/74/62/98/557746298.db2.gz KUFWNKYXCUZRFE-UHFFFAOYSA-N 1 0 419.554 4.486 40 0 HIABRO C[C@@H](O)C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)Cc1ccc2c(c1)OCO2 ZINC000012118147 558329586 /nfs/dbraw/zinc/32/95/86/558329586.db2.gz FJIJVYRYWBKNMS-GOSISDBHSA-N 1 0 415.493 4.137 40 0 HIABRO COc1ccc([C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000012128649 558331914 /nfs/dbraw/zinc/33/19/14/558331914.db2.gz ARNYBYXPEJGJDW-ZWKOTPCHSA-N 1 0 402.420 4.215 40 0 HIABRO CCCn1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccc(OC)cc4)n3)CC2)c1C ZINC000012242241 558360679 /nfs/dbraw/zinc/36/06/79/558360679.db2.gz LRINAELLBGDULA-UHFFFAOYSA-N 1 0 421.545 4.152 40 0 HIABRO Cn1cc([C@@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21 ZINC000012241760 558360688 /nfs/dbraw/zinc/36/06/88/558360688.db2.gz ZTUINLVWSJVRFX-NRFANRHFSA-N 1 0 418.459 4.214 40 0 HIABRO CC[NH+](CC)CCN1Cc2cc3c(C)nn(-c4ccc(Cl)cc4)c3nc2OC1=O ZINC000012274902 558363619 /nfs/dbraw/zinc/36/36/19/558363619.db2.gz SEDPJUAXNZAQOT-UHFFFAOYSA-N 1 0 413.909 4.039 40 0 HIABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000012330116 558385080 /nfs/dbraw/zinc/38/50/80/558385080.db2.gz UQIAXZRLZAPTQX-PDGUBNMISA-N 1 0 402.498 4.146 40 0 HIABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)c1 ZINC000012330120 558385166 /nfs/dbraw/zinc/38/51/66/558385166.db2.gz KBPODRPHQQLCPU-SFTDATJTSA-N 1 0 417.933 4.041 40 0 HIABRO COc1ccc(-c2nc(C)sc2CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000012360915 558387075 /nfs/dbraw/zinc/38/70/75/558387075.db2.gz FNZLKFQBDLNNQW-IBGZPJMESA-N 1 0 413.587 4.147 40 0 HIABRO Cc1cccc(N2CCN(C(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)CC2)c1C ZINC000022517870 558494089 /nfs/dbraw/zinc/49/40/89/558494089.db2.gz NNCGEZUBAYQADG-UHFFFAOYSA-N 1 0 405.586 4.498 40 0 HIABRO COC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000013670092 558561611 /nfs/dbraw/zinc/56/16/11/558561611.db2.gz XJRTULFNJCRSMV-UHFFFAOYSA-N 1 0 400.478 4.284 40 0 HIABRO COCCc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740481 558801567 /nfs/dbraw/zinc/80/15/67/558801567.db2.gz SMHBQINWYRMRNI-UHFFFAOYSA-N 1 0 414.569 4.116 40 0 HIABRO O=C(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCCCC2)CC1)c1ccn[nH]1 ZINC000045227116 558836760 /nfs/dbraw/zinc/83/67/60/558836760.db2.gz MZRFENSFIOAGHL-UHFFFAOYSA-N 1 0 400.954 4.159 40 0 HIABRO O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019014818 558837033 /nfs/dbraw/zinc/83/70/33/558837033.db2.gz RJAQBXNKDSSRSC-UGKGYDQZSA-N 1 0 424.589 4.140 40 0 HIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cc3ccccc3nc2N(C)C)CC1 ZINC000019021078 558837945 /nfs/dbraw/zinc/83/79/45/558837945.db2.gz TXVGGZFLQQMSRB-UHFFFAOYSA-N 1 0 420.532 4.067 40 0 HIABRO C1CCc2c(sc3nc(C45CC6CC(CC(C6)C4)C5)nc(N4CC[NH2+]CC4)c32)C1 ZINC000013535833 558839536 /nfs/dbraw/zinc/83/95/36/558839536.db2.gz SEEJYVRARFVVAP-UHFFFAOYSA-N 1 0 408.615 4.448 40 0 HIABRO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000019117077 558842235 /nfs/dbraw/zinc/84/22/35/558842235.db2.gz XNDRUKDSFQQENG-CQSZACIVSA-N 1 0 420.435 4.063 40 0 HIABRO Cc1cc2c(cc1Cl)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125626 558844565 /nfs/dbraw/zinc/84/45/65/558844565.db2.gz XHOOPBOIMCWNOQ-WOJBJXKFSA-N 1 0 423.887 4.311 40 0 HIABRO O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000019375842 558882057 /nfs/dbraw/zinc/88/20/57/558882057.db2.gz UCZYYOWHRPKUKX-CQSZACIVSA-N 1 0 403.313 4.008 40 0 HIABRO O=C(c1cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)no1)N1CCCCC1 ZINC000019376065 558882074 /nfs/dbraw/zinc/88/20/74/558882074.db2.gz PQVARJZBCAAGIW-UHFFFAOYSA-N 1 0 404.514 4.229 40 0 HIABRO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019446652 558886302 /nfs/dbraw/zinc/88/63/02/558886302.db2.gz LITUWZJQYZIBIR-FDDCHVKYSA-N 1 0 401.501 4.475 40 0 HIABRO CC(C)Oc1cccc(C[NH+]2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1 ZINC000019450842 558889050 /nfs/dbraw/zinc/88/90/50/558889050.db2.gz LMRLZNHVJCGFEC-UHFFFAOYSA-N 1 0 419.451 4.310 40 0 HIABRO C[C@@H](C[N@@H+]1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000019456099 558891895 /nfs/dbraw/zinc/89/18/95/558891895.db2.gz QLOGWAKAXKQCTO-FNZWTVRRSA-N 1 0 414.553 4.057 40 0 HIABRO C[C@H](C[N@@H+]1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000019456101 558891917 /nfs/dbraw/zinc/89/19/17/558891917.db2.gz QLOGWAKAXKQCTO-IBVKSMDESA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O ZINC000019503330 558900642 /nfs/dbraw/zinc/90/06/42/558900642.db2.gz JOVQKEHNIXRXKC-JOCHJYFZSA-N 1 0 424.610 4.475 40 0 HIABRO Cc1nc(C2CC[NH2+]CC2)ncc1-c1nc(N2CCCC2)ncc1-c1ccc(F)cc1 ZINC000019552660 558916076 /nfs/dbraw/zinc/91/60/76/558916076.db2.gz ZBSXLMSHMCVFQH-UHFFFAOYSA-N 1 0 418.520 4.115 40 0 HIABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2Cc2ccccc2)cc1 ZINC000019554875 558917713 /nfs/dbraw/zinc/91/77/13/558917713.db2.gz BAZMAGBXLMYHRL-XZQOPNAISA-N 1 0 417.553 4.060 40 0 HIABRO COc1ccc2nc(C[NH+]3CCC(c4nnc(-c5ccncc5)o4)CC3)ccc2c1 ZINC000019563686 558923698 /nfs/dbraw/zinc/92/36/98/558923698.db2.gz MZQPXUJWPUCLBG-UHFFFAOYSA-N 1 0 401.470 4.068 40 0 HIABRO COc1cccc(C[NH+]2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)c1 ZINC000019564810 558924793 /nfs/dbraw/zinc/92/47/93/558924793.db2.gz ZLKRFLPTXOBXAJ-UHFFFAOYSA-N 1 0 419.447 4.091 40 0 HIABRO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]32)c1 ZINC000019566365 558926084 /nfs/dbraw/zinc/92/60/84/558926084.db2.gz BKBWMLQAHOTGPJ-UBFVSLLYSA-N 1 0 419.569 4.097 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019579610 558935287 /nfs/dbraw/zinc/93/52/87/558935287.db2.gz MXEXEVOHEAQXJD-SANMLTNESA-N 1 0 414.553 4.057 40 0 HIABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072344785 558941106 /nfs/dbraw/zinc/94/11/06/558941106.db2.gz ISVOKWBJQRYLAA-HXUWFJFHSA-N 1 0 406.505 4.201 40 0 HIABRO Cc1nc([C@H]2CCC[N@@H+](C3CCCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345546 558942107 /nfs/dbraw/zinc/94/21/07/558942107.db2.gz ZGXLGYYDPFNNMR-IBGZPJMESA-N 1 0 410.537 4.366 40 0 HIABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2cnc(-c3ccc(C)cc3)nc2)CC1 ZINC000019658432 558950374 /nfs/dbraw/zinc/95/03/74/558950374.db2.gz IIXLVSZETBXHKF-UHFFFAOYSA-N 1 0 400.526 4.079 40 0 HIABRO COc1ccc2c(C[N@@H+]3CCC[C@H](c4ccc(-c5cncnc5)cn4)C3)cn(C)c2c1 ZINC000019689297 558958576 /nfs/dbraw/zinc/95/85/76/558958576.db2.gz VTGUFKMWMCWINR-IBGZPJMESA-N 1 0 413.525 4.419 40 0 HIABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)s1 ZINC000072371798 558959150 /nfs/dbraw/zinc/95/91/50/558959150.db2.gz QRJAFZDJFVLVMY-OAHLLOKOSA-N 1 0 402.951 4.439 40 0 HIABRO COc1cccc(Cc2cc(C)nc(C3CC[NH+](Cc4cnn(C)c4C)CC3)c2)c1 ZINC000019691582 558960803 /nfs/dbraw/zinc/96/08/03/558960803.db2.gz ALBNWKUERDFNES-UHFFFAOYSA-N 1 0 404.558 4.411 40 0 HIABRO Cc1c(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cnn1C ZINC000019694321 558962688 /nfs/dbraw/zinc/96/26/88/558962688.db2.gz MIUOITCAQYNRTG-NRFANRHFSA-N 1 0 408.525 4.118 40 0 HIABRO CCOc1ccc(C[NH+]2CCC(c3cccc(Nc4cc(C)on4)n3)CC2)cc1CO ZINC000072376185 558965290 /nfs/dbraw/zinc/96/52/90/558965290.db2.gz ZXOPDTTUVHGZCN-UHFFFAOYSA-N 1 0 422.529 4.392 40 0 HIABRO C[C@H](Nc1ncc(C(=O)N2CCCC2)c(CC[NH2+]C2CCCCC2)n1)c1ccccc1 ZINC000019697831 558965523 /nfs/dbraw/zinc/96/55/23/558965523.db2.gz SXQAJSKFKMUITL-IBGZPJMESA-N 1 0 421.589 4.351 40 0 HIABRO Cc1nc([C@H]2CCCC[N@@H+]2C2CCOCC2)nc2c1CCCN2Cc1ccccc1 ZINC000019706231 558968651 /nfs/dbraw/zinc/96/86/51/558968651.db2.gz HEHRTPHWIUGLPP-HSZRJFAPSA-N 1 0 406.574 4.444 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072394015 558973299 /nfs/dbraw/zinc/97/32/99/558973299.db2.gz FAEFAUPPCLTYFE-XMMPIXPASA-N 1 0 423.488 4.264 40 0 HIABRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000072397153 558975715 /nfs/dbraw/zinc/97/57/15/558975715.db2.gz BPKBNWYPTICRNJ-OAHLLOKOSA-N 1 0 420.435 4.063 40 0 HIABRO C[C@H](CC[NH+]1CCCCCC1)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc21 ZINC000019717653 558980541 /nfs/dbraw/zinc/98/05/41/558980541.db2.gz AWSXKQROGIDMSR-GOSISDBHSA-N 1 0 405.546 4.020 40 0 HIABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(F)cc1F)CC2 ZINC000585099841 559024550 /nfs/dbraw/zinc/02/45/50/559024550.db2.gz GZTZYLXJSVOXDJ-JOCHJYFZSA-N 1 0 403.473 4.117 40 0 HIABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](Cc2ccc4c(c2)CCC4)CC3)cs1 ZINC000585100795 559025500 /nfs/dbraw/zinc/02/55/00/559025500.db2.gz WTRQGGMHTGOWKS-XMMPIXPASA-N 1 0 409.599 4.488 40 0 HIABRO Cc1cc(C)nc(NC2CC3(C2)CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC3)n1 ZINC000585102885 559026241 /nfs/dbraw/zinc/02/62/41/559026241.db2.gz GIAXOFCEPZZWEI-UHFFFAOYSA-N 1 0 402.546 4.340 40 0 HIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000585106994 559029378 /nfs/dbraw/zinc/02/93/78/559029378.db2.gz NKYWLIXGHVOAKY-XMMPIXPASA-N 1 0 420.582 4.467 40 0 HIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3ccccc3)C2)C1 ZINC000585107037 559029390 /nfs/dbraw/zinc/02/93/90/559029390.db2.gz OUUROHBSPCIMAW-AREMUKBSSA-N 1 0 414.553 4.406 40 0 HIABRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2OCc2ccccc2)CC[C@@H]1O ZINC000585263538 559112003 /nfs/dbraw/zinc/11/20/03/559112003.db2.gz OXZJUNQKORJBRV-ZEQRLZLVSA-N 1 0 424.585 4.025 40 0 HIABRO O=C(CCc1ccccc1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355105 559185791 /nfs/dbraw/zinc/18/57/91/559185791.db2.gz DPRDELZXUKQSHI-VWLOTQADSA-N 1 0 413.565 4.218 40 0 HIABRO Cc1noc(C)c1COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C)cc2C)cc1 ZINC000257251471 559284553 /nfs/dbraw/zinc/28/45/53/559284553.db2.gz JQXPYOOPMMNVAG-QFIPXVFZSA-N 1 0 424.541 4.359 40 0 HIABRO CC(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514289883 560031363 /nfs/dbraw/zinc/03/13/63/560031363.db2.gz PRIPMQJJMXHALE-JAXLGGSGSA-N 1 0 404.551 4.230 40 0 biogenic,in-vitro HIABRO C[C@@]1(O)CC[N@H+](CC2CCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289674 560032061 /nfs/dbraw/zinc/03/20/61/560032061.db2.gz NHVMJASAZZIWSU-SONWIMMPSA-N 1 0 410.533 4.312 40 0 biogenic,in-vitro HIABRO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000514289430 560032438 /nfs/dbraw/zinc/03/24/38/560032438.db2.gz KQCBRKAMVWEKIP-GGAORHGYSA-N 1 0 412.480 4.339 40 0 biogenic,in-vitro HIABRO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408991259 560662318 /nfs/dbraw/zinc/66/23/18/560662318.db2.gz PYAXGPYCVDDLEV-OAQYLSRUSA-N 1 0 423.538 4.204 40 0 HIABRO Cc1cccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)n2)c1 ZINC000219239897 568488260 /nfs/dbraw/zinc/48/82/60/568488260.db2.gz XOJJGVYXTKYZPY-GOSISDBHSA-N 1 0 404.514 4.207 40 0 HIABRO Cc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000219413416 568491529 /nfs/dbraw/zinc/49/15/29/568491529.db2.gz KZQDZOGQXHAENL-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000223241476 568542348 /nfs/dbraw/zinc/54/23/48/568542348.db2.gz RSCJKIGNNIPBSD-FGZHOGPDSA-N 1 0 406.555 4.266 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223248117 568542527 /nfs/dbraw/zinc/54/25/27/568542527.db2.gz JDZQPULCOKSYGE-FCHUYYIVSA-N 1 0 411.619 4.313 40 0 HIABRO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000223645233 568554683 /nfs/dbraw/zinc/55/46/83/568554683.db2.gz MAWQVEGYURJQSA-UHFFFAOYSA-N 1 0 408.527 4.064 40 0 HIABRO Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223847661 568560804 /nfs/dbraw/zinc/56/08/04/568560804.db2.gz TUTMVCLZLCCRPY-YADHBBJMSA-N 1 0 413.506 4.150 40 0 HIABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000224105640 568570068 /nfs/dbraw/zinc/57/00/68/568570068.db2.gz ZWFUDVHJPAYJIZ-RUZDIDTESA-N 1 0 406.570 4.287 40 0 HIABRO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224534151 568583979 /nfs/dbraw/zinc/58/39/79/568583979.db2.gz OXHGZVGFUZXEJP-UHFFFAOYSA-N 1 0 407.341 4.401 40 0 HIABRO CC(C)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000225294831 568628404 /nfs/dbraw/zinc/62/84/04/568628404.db2.gz OAZWALQZMQSPOH-UHFFFAOYSA-N 1 0 408.568 4.276 40 0 HIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225467757 568640506 /nfs/dbraw/zinc/64/05/06/568640506.db2.gz DRMFEIVEURLMIN-OAQYLSRUSA-N 1 0 406.570 4.397 40 0 HIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225586183 568654809 /nfs/dbraw/zinc/65/48/09/568654809.db2.gz WPSYYBMFLNTWOA-NRFANRHFSA-N 1 0 424.004 4.462 40 0 HIABRO CC(C)Oc1cccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225773487 568673417 /nfs/dbraw/zinc/67/34/17/568673417.db2.gz WSDIPKVDLIKCMC-UHFFFAOYSA-N 1 0 413.587 4.433 40 0 HIABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)OCCO2 ZINC000260830703 568740978 /nfs/dbraw/zinc/74/09/78/568740978.db2.gz GWRWFYIAYFQKHY-APWZRJJASA-N 1 0 414.933 4.201 40 0 HIABRO O=C(CN1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1cccc(F)c1 ZINC000257202898 568776890 /nfs/dbraw/zinc/77/68/90/568776890.db2.gz ANVSFBKCZYRZEF-UHFFFAOYSA-N 1 0 405.477 4.177 40 0 HIABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cncnc4)CC3)CO[C@H]21 ZINC000257208151 568778477 /nfs/dbraw/zinc/77/84/77/568778477.db2.gz BKYPZABEJOZUMK-PZJWPPBQSA-N 1 0 409.530 4.016 40 0 HIABRO Cc1nc(C)c(CC(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)s1 ZINC000257236216 568786432 /nfs/dbraw/zinc/78/64/32/568786432.db2.gz HBFOGEXNOKMDKH-RLEHGOAJSA-N 1 0 409.599 4.045 40 0 HIABRO CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)c3ccccc3C[NH+]3CCCCC3)C2)n1 ZINC000257246698 568789334 /nfs/dbraw/zinc/78/93/34/568789334.db2.gz IVKGHHIZAPHXAM-VWLOTQADSA-N 1 0 421.589 4.007 40 0 HIABRO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cnc(C)nc4C)C3)c2)n1 ZINC000257259609 568792663 /nfs/dbraw/zinc/79/26/63/568792663.db2.gz KZCBTSXICVUXRU-QGZVFWFLSA-N 1 0 422.558 4.325 40 0 HIABRO Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](c4cc(Nc5nccs5)cc(C)[nH+]4)C3)c2c1 ZINC000257267482 568794961 /nfs/dbraw/zinc/79/49/61/568794961.db2.gz MHMHPCZSTONKAA-OAHLLOKOSA-N 1 0 418.526 4.405 40 0 HIABRO O=C(c1ccc(OCC[NH+]2CCCC2)cc1)N1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257305539 568806168 /nfs/dbraw/zinc/80/61/68/568806168.db2.gz SQMIIWYPYXEZGA-BSRHZMJTSA-N 1 0 420.553 4.091 40 0 HIABRO Fc1ccccc1-c1ccccc1C[N@@H+]1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257332650 568814011 /nfs/dbraw/zinc/81/40/11/568814011.db2.gz XYDOUKGUZKJPGN-IBGZPJMESA-N 1 0 416.500 4.227 40 0 HIABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccc(C)cc4)no3)C2)c(OC)c1OC ZINC000257337434 568815173 /nfs/dbraw/zinc/81/51/73/568815173.db2.gz YSTBUGWWJWBQEF-GOSISDBHSA-N 1 0 409.486 4.060 40 0 HIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306126600 568889352 /nfs/dbraw/zinc/88/93/52/568889352.db2.gz DZXGMSLVMPESSW-HXUWFJFHSA-N 1 0 404.493 4.131 40 0 HIABRO O=C1N(Cc2cccs2)CC[C@@]12C[N@H+](Cc1ccccc1)C[C@@H]2c1nccs1 ZINC000306128663 568891494 /nfs/dbraw/zinc/89/14/94/568891494.db2.gz HHTRHXBPXRUMCB-KNQAVFIVSA-N 1 0 409.580 4.223 40 0 HIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccc(OC)c5)cn4n3)C2)cn1 ZINC000306130437 568892964 /nfs/dbraw/zinc/89/29/64/568892964.db2.gz JGISMFRNEUTRQJ-OAQYLSRUSA-N 1 0 416.529 4.001 40 0 HIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccoc5)C4)nn3c2)c1OC ZINC000306138677 568900690 /nfs/dbraw/zinc/90/06/90/568900690.db2.gz SEAHFJSIQFKRQE-LJQANCHMSA-N 1 0 418.497 4.386 40 0 HIABRO O=C(Nc1ccccc1)[C@@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)CC[C@@H]2[N@@H+]1CC1CC1 ZINC000306139403 568901325 /nfs/dbraw/zinc/90/13/25/568901325.db2.gz SWNIJFMKEYVFFV-OIBXWCBGSA-N 1 0 418.541 4.032 40 0 HIABRO O=c1c(-c2ccc(F)cc2)nnc2n1CCC21CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000306142285 568903766 /nfs/dbraw/zinc/90/37/66/568903766.db2.gz WVLWCPQOHZKLCH-UHFFFAOYSA-N 1 0 424.907 4.035 40 0 HIABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000033857393 569027741 /nfs/dbraw/zinc/02/77/41/569027741.db2.gz XPZYNXNJVXSWRE-JBJBFBLISA-N 1 0 409.014 4.300 40 0 HIABRO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OCC ZINC000009062727 569342234 /nfs/dbraw/zinc/34/22/34/569342234.db2.gz SSLNRDNVYHRYES-UHFFFAOYSA-N 1 0 414.521 4.152 40 0 HIABRO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063439 569342446 /nfs/dbraw/zinc/34/24/46/569342446.db2.gz FYDXFCZWFKGMAV-UHFFFAOYSA-N 1 0 413.949 4.331 40 0 HIABRO Cc1ccccc1CSCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063494 569342450 /nfs/dbraw/zinc/34/24/50/569342450.db2.gz YWBKXEMCGCHKKH-UHFFFAOYSA-N 1 0 400.563 4.396 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1 ZINC000012365833 569344767 /nfs/dbraw/zinc/34/47/67/569344767.db2.gz DAMWBOGYLLXOCT-PZJWPPBQSA-N 1 0 413.587 4.410 40 0 HIABRO O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019014822 569345221 /nfs/dbraw/zinc/34/52/21/569345221.db2.gz RJAQBXNKDSSRSC-KNQAVFIVSA-N 1 0 424.589 4.140 40 0 HIABRO CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000019700494 569347170 /nfs/dbraw/zinc/34/71/70/569347170.db2.gz YYKZESUXVUFYFG-UHFFFAOYSA-N 1 0 414.553 4.023 40 0 HIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3cnn4c3nc(C)cc4C)c2)C1 ZINC000019712231 569348316 /nfs/dbraw/zinc/34/83/16/569348316.db2.gz QAFQKMVJJBDFAE-IRLDBZIGSA-N 1 0 421.545 4.160 40 0 HIABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C(C)(C)C ZINC000141522941 569354709 /nfs/dbraw/zinc/35/47/09/569354709.db2.gz OBEOPMAIVSGZGC-UHFFFAOYSA-N 1 0 416.587 4.067 40 0 HIABRO COc1ccccc1[C@H](CNC(=O)c1cc2cc(C)ccc2n1C)[NH+]1CCCCC1 ZINC000141575611 569354949 /nfs/dbraw/zinc/35/49/49/569354949.db2.gz JXKJOFJGIUTNSY-QHCPKHFHSA-N 1 0 405.542 4.452 40 0 HIABRO OCC[NH+]1CCC(c2ccnc(Nc3ncc(-c4cc(F)cc(F)c4)s3)c2)CC1 ZINC000143114893 571261167 /nfs/dbraw/zinc/26/11/67/571261167.db2.gz LDVVZXOLXSLDCM-UHFFFAOYSA-N 1 0 416.497 4.399 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccncc2)n1 ZINC000328965644 571304414 /nfs/dbraw/zinc/30/44/14/571304414.db2.gz CETNGXWURUUBHK-UHFFFAOYSA-N 1 0 404.562 4.943 40 0 HIABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 ZINC000329069424 571304734 /nfs/dbraw/zinc/30/47/34/571304734.db2.gz YXRRPVNHEUSFAU-UHFFFAOYSA-N 1 0 401.436 4.880 40 0 HIABRO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000329064717 571307892 /nfs/dbraw/zinc/30/78/92/571307892.db2.gz XMNLZVGCGAWQPX-UHFFFAOYSA-N 1 0 409.456 4.668 40 0 HIABRO CC1=C[C@@H](C[NH+]2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883533 291262239 /nfs/dbraw/zinc/26/22/39/291262239.db2.gz ZQKYHLKIMCNCAL-ACRUOGEOSA-N 1 0 403.611 4.469 40 0 biogenic,in-vitro HIABRO CCCNC(=O)[C@@H]1Cc2cn(Cc3ccncc3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171654 291263032 /nfs/dbraw/zinc/26/30/32/291263032.db2.gz UVOZCEZBEFGQLE-VXKWHMMOSA-N 1 0 404.558 4.212 40 0 biogenic,in-vitro HIABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4COCc3ccccc3)n(C)n2)cc1 ZINC000008623220 291265611 /nfs/dbraw/zinc/26/56/11/291265611.db2.gz HTHGRDBFCLHWCF-ZDXQCDESSA-N 1 0 417.553 4.490 40 0 biogenic,in-vitro HIABRO CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044786709 519742148 /nfs/dbraw/zinc/74/21/48/519742148.db2.gz FLTADQBQRBWLMN-LJQANCHMSA-N 1 0 411.521 4.062 40 0 HIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000044911469 521537431 /nfs/dbraw/zinc/53/74/31/521537431.db2.gz UOHSAMODDLDHEY-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044852561 525310248 /nfs/dbraw/zinc/31/02/48/525310248.db2.gz QTLJBSPMJVFWFT-SFHVURJKSA-N 1 0 400.950 4.444 40 0 HIABRO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000044852868 525426518 /nfs/dbraw/zinc/42/65/18/525426518.db2.gz GDZBMPZIGUHDLF-GOSISDBHSA-N 1 0 400.950 4.444 40 0 HIABRO Cc1cc(C)c2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000004231229 557530605 /nfs/dbraw/zinc/53/06/05/557530605.db2.gz WQBLMAMTCRPRTQ-UHFFFAOYSA-N 1 0 424.520 4.270 40 0 HIABRO O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447875 557741865 /nfs/dbraw/zinc/74/18/65/557741865.db2.gz CLNRLGXMFHBMKT-UHFFFAOYSA-N 1 0 406.448 4.387 40 0 HIABRO COc1ccccc1CN1C(=O)Cc2c1nc([C@H]1CCC[N@@H+](C3CCCC3)C1)nc2C ZINC000019744146 558264676 /nfs/dbraw/zinc/26/46/76/558264676.db2.gz VBTUBGVBBPGFBT-IBGZPJMESA-N 1 0 420.557 4.005 40 0 HIABRO Cc1nc([C@@H]2CCC[N@@H+]2CC(c2ccccc2)c2ccccc2)nc2c1CC(=O)N2C ZINC000019744276 558264767 /nfs/dbraw/zinc/26/47/67/558264767.db2.gz UTRZFBZNMROXOU-QHCPKHFHSA-N 1 0 412.537 4.273 40 0 HIABRO Cc1cccc(CNC(=O)CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000019748316 558267735 /nfs/dbraw/zinc/26/77/35/558267735.db2.gz NSJGYJBSYQGUNA-UHFFFAOYSA-N 1 0 405.464 4.327 40 0 HIABRO COc1ccccc1C[NH+]1CCC(c2cc3nc(C)cc(C(F)(F)F)n3n2)CC1 ZINC000012160279 558341556 /nfs/dbraw/zinc/34/15/56/558341556.db2.gz QXAOOFZRPGKRPD-UHFFFAOYSA-N 1 0 404.436 4.445 40 0 HIABRO CC(C)c1ccc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 ZINC000012186598 558345714 /nfs/dbraw/zinc/34/57/14/558345714.db2.gz QHSZZBBEXCDKAB-UHFFFAOYSA-N 1 0 423.582 4.122 40 0 HIABRO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C2)CCCCC3)ccc1OCC(N)=O ZINC000012228113 558357285 /nfs/dbraw/zinc/35/72/85/558357285.db2.gz OIUYMHKLLTZGEX-NRFANRHFSA-N 1 0 408.542 4.109 40 0 HIABRO CCn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)c2ccccc21 ZINC000012293278 558366472 /nfs/dbraw/zinc/36/64/72/558366472.db2.gz LLNNRNHIOAMFEN-BJKOFHAPSA-N 1 0 420.553 4.354 40 0 HIABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000012293464 558366512 /nfs/dbraw/zinc/36/65/12/558366512.db2.gz HMNPXFXUPBWCOM-RTWAWAEBSA-N 1 0 401.934 4.341 40 0 HIABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293591 558366721 /nfs/dbraw/zinc/36/67/21/558366721.db2.gz HPGDXKTYZHAPDB-DNQXCXABSA-N 1 0 419.521 4.233 40 0 HIABRO CCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)c(C)cc1OC ZINC000012345581 558386532 /nfs/dbraw/zinc/38/65/32/558386532.db2.gz NQFLSMYXDJMGMH-KEVCNVLYSA-N 1 0 411.542 4.426 40 0 HIABRO Cc1nn(-c2ccccc2C)c(C)c1CC(=O)N1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000012346044 558386593 /nfs/dbraw/zinc/38/65/93/558386593.db2.gz WKPRQCVQZJBNNJ-JOCHJYFZSA-N 1 0 408.590 4.207 40 0 HIABRO Cc1cccc(-c2nc(C3CC[NH+](Cc4cnc(C(C)C)nc4)CC3)cc(=O)[nH]2)c1 ZINC000013227603 558526975 /nfs/dbraw/zinc/52/69/75/558526975.db2.gz OMGISXKFUADWSI-UHFFFAOYSA-N 1 0 403.530 4.451 40 0 HIABRO CCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039757747 558689447 /nfs/dbraw/zinc/68/94/47/558689447.db2.gz QLSVMHGWHRZIOE-UHFFFAOYSA-N 1 0 411.521 4.206 40 0 HIABRO COc1ccc(C[NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 ZINC000036751906 558802467 /nfs/dbraw/zinc/80/24/67/558802467.db2.gz OHRMHGDSTRBEIB-QFIPXVFZSA-N 1 0 408.542 4.326 40 0 HIABRO COc1ccc(CN(Cc2cnn(-c3ccc(C)cc3)c2)C2CC[NH+](C)CC2)cc1 ZINC000036751988 558802732 /nfs/dbraw/zinc/80/27/32/558802732.db2.gz NXSZFEJVAGRSJO-UHFFFAOYSA-N 1 0 404.558 4.286 40 0 HIABRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851325 558818794 /nfs/dbraw/zinc/81/87/94/558818794.db2.gz WAKLLUOEXDEBIT-LJQANCHMSA-N 1 0 415.940 4.040 40 0 HIABRO COc1cc2c(cc1C[NH+]1CCC([C@@H](NC(C)=O)c3ccccn3)CC1)CCCC2 ZINC000019020470 558837759 /nfs/dbraw/zinc/83/77/59/558837759.db2.gz LZKIKUJPVLRJEE-RUZDIDTESA-N 1 0 407.558 4.058 40 0 HIABRO Cc1cc2c(cc1Cl)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125634 558844576 /nfs/dbraw/zinc/84/45/76/558844576.db2.gz XHOOPBOIMCWNOQ-VQTJNVASSA-N 1 0 423.887 4.311 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)n1 ZINC000019236838 558856032 /nfs/dbraw/zinc/85/60/32/558856032.db2.gz KGXLHKJEJKZVDI-SQJMNOBHSA-N 1 0 414.553 4.477 40 0 HIABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000019288906 558861828 /nfs/dbraw/zinc/86/18/28/558861828.db2.gz WEMHVOPFRJJOAZ-UHFFFAOYSA-N 1 0 412.553 4.277 40 0 HIABRO O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC000019339239 558871006 /nfs/dbraw/zinc/87/10/06/558871006.db2.gz OYAOUASHSNWDQO-YPAWHYETSA-N 1 0 421.541 4.413 40 0 HIABRO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000019401985 558883851 /nfs/dbraw/zinc/88/38/51/558883851.db2.gz CRTRQZJWEQEGDK-XZQOPNAISA-N 1 0 415.537 4.175 40 0 HIABRO CC(C)Oc1cccc(C[NH+]2CCC([C@@H](NC(=O)C3CC3)c3ccccn3)CC2)c1 ZINC000019450834 558889089 /nfs/dbraw/zinc/88/90/89/558889089.db2.gz QEKILXDRIWUEPT-XMMPIXPASA-N 1 0 407.558 4.348 40 0 HIABRO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](Cc4cccc(OC)c4)C3)cc2n1 ZINC000019522440 558903702 /nfs/dbraw/zinc/90/37/02/558903702.db2.gz LLWHKVCEXZHMME-HNNXBMFYSA-N 1 0 404.436 4.309 40 0 HIABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019528746 558909977 /nfs/dbraw/zinc/90/99/77/558909977.db2.gz ZMIJDFOIXHNISD-RUZDIDTESA-N 1 0 418.541 4.006 40 0 HIABRO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019528741 558910014 /nfs/dbraw/zinc/91/00/14/558910014.db2.gz WBKQLPCRLJOWOG-VWLOTQADSA-N 1 0 418.541 4.006 40 0 HIABRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc1CO ZINC000019559364 558920749 /nfs/dbraw/zinc/92/07/49/558920749.db2.gz APUHUOOITRAYOC-RBUKOAKNSA-N 1 0 413.468 4.231 40 0 HIABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 ZINC000072335296 558936445 /nfs/dbraw/zinc/93/64/45/558936445.db2.gz QJSFELWRKPQBHH-WCAVRKLYSA-N 1 0 405.542 4.020 40 0 HIABRO Cc1nc(C2=CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CC2)nc(N2CCCC2)c1C ZINC000072339579 558938605 /nfs/dbraw/zinc/93/86/05/558938605.db2.gz GAYYZDIMSZNWCS-OAQYLSRUSA-N 1 0 412.965 4.170 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)c1 ZINC000072340871 558939323 /nfs/dbraw/zinc/93/93/23/558939323.db2.gz IUOCMFMMJZJORJ-INIZCTEOSA-N 1 0 404.436 4.445 40 0 HIABRO Cc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344805 558941143 /nfs/dbraw/zinc/94/11/43/558941143.db2.gz JRSYBMZDWPWLMO-QFIPXVFZSA-N 1 0 402.542 4.370 40 0 HIABRO Cc1cccc(C2(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+](C)C)CCOCC2)c1 ZINC000019654785 558948018 /nfs/dbraw/zinc/94/80/18/558948018.db2.gz WJCHQQZZONAANA-OAQYLSRUSA-N 1 0 400.950 4.116 40 0 HIABRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cccc(Cl)c1 ZINC000019654867 558948260 /nfs/dbraw/zinc/94/82/60/558948260.db2.gz BSALWZOZQCPGQT-FQEVSTJZSA-N 1 0 421.368 4.461 40 0 HIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cc(Cc3ccc(OC)cc3)cc(C)n2)C1 ZINC000072353810 558950867 /nfs/dbraw/zinc/95/08/67/558950867.db2.gz KLJBKKSKHMZRAA-QFIPXVFZSA-N 1 0 409.574 4.037 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000072359066 558954749 /nfs/dbraw/zinc/95/47/49/558954749.db2.gz SVYQFQNTLKRGIJ-QGZVFWFLSA-N 1 0 401.436 4.276 40 0 HIABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4ccc(-c5cnc(N)nc5)cn4)C3)ccc2O1 ZINC000019689299 558958561 /nfs/dbraw/zinc/95/85/61/558958561.db2.gz HJPCEKUZZAPOKU-LJQANCHMSA-N 1 0 415.541 4.214 40 0 HIABRO Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000072374916 558963121 /nfs/dbraw/zinc/96/31/21/558963121.db2.gz HQISNTOPUYEFOV-SFHVURJKSA-N 1 0 405.477 4.011 40 0 HIABRO Cc1nc(C)c(C(=O)N2CCC[C@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C2)s1 ZINC000072374940 558963454 /nfs/dbraw/zinc/96/34/54/558963454.db2.gz SWKYZAVLPSLMFJ-INIZCTEOSA-N 1 0 408.531 4.017 40 0 HIABRO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCC[N@@H+]3C3CCCC3)nc21 ZINC000019695976 558964346 /nfs/dbraw/zinc/96/43/46/558964346.db2.gz IWSJVAQHTCRGNH-NRFANRHFSA-N 1 0 420.557 4.353 40 0 HIABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1C ZINC000072376624 558965789 /nfs/dbraw/zinc/96/57/89/558965789.db2.gz AOUVHOUOAYBQNM-QFIPXVFZSA-N 1 0 420.561 4.080 40 0 HIABRO CCc1nnc2n1C[C@@H](c1ccc(NC(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)cc1)CC2 ZINC000019699161 558966550 /nfs/dbraw/zinc/96/65/50/558966550.db2.gz MLLURCOXQCHYMT-IBGZPJMESA-N 1 0 421.589 4.376 40 0 HIABRO COc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ccccn3)[C@@H]2C1 ZINC000072392551 558972119 /nfs/dbraw/zinc/97/21/19/558972119.db2.gz HGTGAATWKRVWAD-SYVJQLTCSA-N 1 0 400.522 4.487 40 0 HIABRO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 ZINC000072392974 558972757 /nfs/dbraw/zinc/97/27/57/558972757.db2.gz JXHYARFJLCYXHH-KRWDZBQOSA-N 1 0 417.488 4.140 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3cccc(C)c3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394054 558973294 /nfs/dbraw/zinc/97/32/94/558973294.db2.gz MEOIACIAOISYGZ-VWLOTQADSA-N 1 0 419.525 4.433 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000072394071 558973538 /nfs/dbraw/zinc/97/35/38/558973538.db2.gz BEKCLSSAUBVLQN-RUZDIDTESA-N 1 0 419.525 4.433 40 0 HIABRO CC[NH+](CC)CCCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3OC)c2)CCCO1 ZINC000585169167 559067859 /nfs/dbraw/zinc/06/78/59/559067859.db2.gz OQVDZQWTSMYZBE-SANMLTNESA-N 1 0 424.585 4.302 40 0 HIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052811 559092518 /nfs/dbraw/zinc/09/25/18/559092518.db2.gz BOQRHKCRMDILER-OAQYLSRUSA-N 1 0 422.544 4.096 40 0 HIABRO COc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)cc1 ZINC000096052987 559092706 /nfs/dbraw/zinc/09/27/06/559092706.db2.gz LCEIWXZRKOMTIT-FQEVSTJZSA-N 1 0 404.554 4.385 40 0 HIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053478 559093591 /nfs/dbraw/zinc/09/35/91/559093591.db2.gz NHTUFXKCIJOKAK-OAQYLSRUSA-N 1 0 407.558 4.241 40 0 HIABRO C[N@@H+]1CCCN(C(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)CC1 ZINC000096155525 559099775 /nfs/dbraw/zinc/09/97/75/559099775.db2.gz KYQCRNPQSFYMJZ-UHFFFAOYSA-N 1 0 400.482 4.039 40 0 HIABRO O=C(c1cscn1)N1CCC2(C[NH+](CC(c3ccccc3)c3ccccc3)C2)C1 ZINC000096202446 559101227 /nfs/dbraw/zinc/10/12/27/559101227.db2.gz SUKQAARJTXWEKW-UHFFFAOYSA-N 1 0 403.551 4.123 40 0 HIABRO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCC[NH2+]4)CC3)n2)s1 ZINC000585262702 559110729 /nfs/dbraw/zinc/11/07/29/559110729.db2.gz UVERHLCLQVYFLZ-IBGZPJMESA-N 1 0 413.591 4.082 40 0 HIABRO CC[C@@H](C)C[N@@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270529 559116328 /nfs/dbraw/zinc/11/63/28/559116328.db2.gz ZBRNOIREPPJJRK-AUSIDOKSSA-N 1 0 422.997 4.239 40 0 HIABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257221970 559283639 /nfs/dbraw/zinc/28/36/39/559283639.db2.gz DRILNYQJXJZZSW-DEOSSOPVSA-N 1 0 424.560 4.433 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1 ZINC000257284730 559285534 /nfs/dbraw/zinc/28/55/34/559285534.db2.gz PEAAVTRNUXVMPR-QHCPKHFHSA-N 1 0 416.949 4.321 40 0 HIABRO C[C@@]1(O)CC[N@H+](Cc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289834 560031528 /nfs/dbraw/zinc/03/15/28/560031528.db2.gz IVFILVVQXUEBFX-WPFOTENUSA-N 1 0 406.551 4.245 40 0 biogenic,in-vitro HIABRO O=C(C[NH+]1CCC(n2cnc3cc(F)ccc32)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000001371018 560577814 /nfs/dbraw/zinc/57/78/14/560577814.db2.gz RFHQUMLXLKQRAM-UHFFFAOYSA-N 1 0 420.410 4.470 40 0 HIABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3)cc12 ZINC000004231254 560602993 /nfs/dbraw/zinc/60/29/93/560602993.db2.gz INUWHXMDGGUODG-UHFFFAOYSA-N 1 0 406.530 4.131 40 0 HIABRO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(n2nnc3cc(C)ccc32)CC1 ZINC000004895324 560611088 /nfs/dbraw/zinc/61/10/88/560611088.db2.gz ROOJTGGJFJWTKD-UHFFFAOYSA-N 1 0 405.546 4.140 40 0 HIABRO CCOc1cc(/C=C/c2cccc[n+]2C)ccc1OCC(=O)Nc1ccccc1C ZINC000005002332 560620441 /nfs/dbraw/zinc/62/04/41/560620441.db2.gz GQQUMJPYRQMWQO-WYMLVPIESA-O 1 0 403.502 4.406 40 0 HIABRO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540434 560751644 /nfs/dbraw/zinc/75/16/44/560751644.db2.gz WUQNGSKWNMOMNA-UHFFFAOYSA-N 1 0 421.545 4.371 40 0 HIABRO O[C@H](COc1ccc(C2CCCCC2)cc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022459748 560890958 /nfs/dbraw/zinc/89/09/58/560890958.db2.gz SYXODTJRUWLWOF-VWLOTQADSA-N 1 0 408.586 4.292 40 0 HIABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022869957 560891124 /nfs/dbraw/zinc/89/11/24/560891124.db2.gz PRFWJKBNPGNZOH-IEEQIXEPSA-N 1 0 421.025 4.050 40 0 HIABRO CCCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000057671203 568495150 /nfs/dbraw/zinc/49/51/50/568495150.db2.gz YYDVPFILMMKFQC-FQEVSTJZSA-N 1 0 414.941 4.021 40 0 HIABRO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1C ZINC000223281301 568543908 /nfs/dbraw/zinc/54/39/08/568543908.db2.gz DSVINOHLVLXAFT-XZOQPEGZSA-N 1 0 419.598 4.023 40 0 HIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223283216 568544079 /nfs/dbraw/zinc/54/40/79/568544079.db2.gz UPQSLZJURPDHBY-LEWJYISDSA-N 1 0 410.518 4.015 40 0 HIABRO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000223555669 568551553 /nfs/dbraw/zinc/55/15/53/568551553.db2.gz IGPHNXAKEDHSDN-UHFFFAOYSA-N 1 0 406.501 4.386 40 0 HIABRO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccc(C)cc4)CC3)s2)cc1 ZINC000224264549 568575765 /nfs/dbraw/zinc/57/57/65/568575765.db2.gz YJOCUBFVMIUZDL-UHFFFAOYSA-N 1 0 422.554 4.373 40 0 HIABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C(C)C ZINC000224686501 568592340 /nfs/dbraw/zinc/59/23/40/568592340.db2.gz QVCUUFXCIOIKNF-UHFFFAOYSA-N 1 0 416.587 4.283 40 0 HIABRO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000225084421 568613155 /nfs/dbraw/zinc/61/31/55/568613155.db2.gz UNTOEHMFBBTAOI-MRXNPFEDSA-N 1 0 416.949 4.447 40 0 HIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225583552 568654162 /nfs/dbraw/zinc/65/41/62/568654162.db2.gz CDQOVMFFLQIIMO-LJQANCHMSA-N 1 0 402.608 4.063 40 0 HIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225584659 568654480 /nfs/dbraw/zinc/65/44/80/568654480.db2.gz YVDPRQRZALPHCK-OAQYLSRUSA-N 1 0 416.635 4.254 40 0 HIABRO CCc1[nH]nc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)c1C ZINC000257238737 568787324 /nfs/dbraw/zinc/78/73/24/568787324.db2.gz HMIMUGHVVDAFAF-CZLVRFMKSA-N 1 0 406.574 4.027 40 0 HIABRO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n(C)n1 ZINC000257247567 568789566 /nfs/dbraw/zinc/78/95/66/568789566.db2.gz IZNIPCFUFGPOPO-RNEGGKCOSA-N 1 0 420.601 4.290 40 0 HIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)COc3ccccc3)C2)[nH+]1 ZINC000257275511 568797191 /nfs/dbraw/zinc/79/71/91/568797191.db2.gz NPRKZHQDFTYVNE-QGZVFWFLSA-N 1 0 406.461 4.063 40 0 HIABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257276917 568797619 /nfs/dbraw/zinc/79/76/19/568797619.db2.gz NVQYUAGWCXVOLJ-JOCHJYFZSA-N 1 0 408.590 4.273 40 0 HIABRO COCCn1cnc2c1C1(CC[NH+](Cc3cccc(F)c3)CC1)Oc1ccccc1-2 ZINC000306128202 568890999 /nfs/dbraw/zinc/89/09/99/568890999.db2.gz GUAHYOLXBZRAPC-UHFFFAOYSA-N 1 0 407.489 4.219 40 0 HIABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)nn2c1 ZINC000306130273 568892784 /nfs/dbraw/zinc/89/27/84/568892784.db2.gz JAVCXFYJWLUHPO-GOSISDBHSA-N 1 0 417.488 4.319 40 0 HIABRO COc1ncccc1C[NH+]1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 ZINC000306132283 568894433 /nfs/dbraw/zinc/89/44/33/568894433.db2.gz LDURNOGABUAQJS-UHFFFAOYSA-N 1 0 416.525 4.247 40 0 HIABRO Cc1ccsc1C[N@H+]1CCN(C)[C@@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306134873 568896810 /nfs/dbraw/zinc/89/68/10/568896810.db2.gz OAJSHIJMZCEOHP-OAQYLSRUSA-N 1 0 403.555 4.255 40 0 HIABRO COc1ncccc1C[N@@H+]1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306143877 568905225 /nfs/dbraw/zinc/90/52/25/568905225.db2.gz YPGFWVZLQCFGTG-KRWDZBQOSA-N 1 0 405.527 4.241 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)n1 ZINC000329011491 568972606 /nfs/dbraw/zinc/97/26/06/568972606.db2.gz MFNINBKHEXTCIX-UHFFFAOYSA-N 1 0 416.356 4.401 40 0 HIABRO Brc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329016834 568972717 /nfs/dbraw/zinc/97/27/17/568972717.db2.gz NIHNZADYATXBKM-UHFFFAOYSA-N 1 0 401.352 4.317 40 0 HIABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]Cc3ccc(F)cc3)cc12 ZINC000026440724 569031820 /nfs/dbraw/zinc/03/18/20/569031820.db2.gz FNTHOJYTSYJIRM-UHFFFAOYSA-N 1 0 404.489 4.440 40 0 HIABRO C[C@@]1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC(c2ccccc2Cl)=NO1 ZINC000035316816 569052264 /nfs/dbraw/zinc/05/22/64/569052264.db2.gz KXQDXCQGWGMVPP-QHCPKHFHSA-N 1 0 411.933 4.135 40 0 HIABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@H]21 ZINC000229942808 569287188 /nfs/dbraw/zinc/28/71/88/569287188.db2.gz UPSVTWZBYSGRDW-PWHSHALESA-N 1 0 424.932 4.437 40 0 HIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000248033469 569316082 /nfs/dbraw/zinc/31/60/82/569316082.db2.gz YMTKDAKARQKANZ-OFNKIYASSA-N 1 0 423.605 4.297 40 0 HIABRO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009062628 569342192 /nfs/dbraw/zinc/34/21/92/569342192.db2.gz DCTTXVDBDPFOGN-KRWDZBQOSA-N 1 0 416.949 4.144 40 0 HIABRO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OCC ZINC000009062573 569342201 /nfs/dbraw/zinc/34/22/01/569342201.db2.gz OXTJPVRTJKABEB-UHFFFAOYSA-N 1 0 410.558 4.321 40 0 HIABRO O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019014824 569345191 /nfs/dbraw/zinc/34/51/91/569345191.db2.gz RJAQBXNKDSSRSC-DENIHFKCSA-N 1 0 424.589 4.140 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c2ccccc21 ZINC000019290441 569345254 /nfs/dbraw/zinc/34/52/54/569345254.db2.gz ZAWCIFMIKYXEES-CJFMBICVSA-N 1 0 416.569 4.443 40 0 HIABRO CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+]1Cc1ccccn1 ZINC000019696555 569346830 /nfs/dbraw/zinc/34/68/30/569346830.db2.gz ZRKMRHXMQOASFH-RUZDIDTESA-N 1 0 418.541 4.182 40 0 HIABRO Cc1cc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)ccc1C(C)C ZINC000329032201 571307632 /nfs/dbraw/zinc/30/76/32/571307632.db2.gz QMHQEEXFWBVNKL-UHFFFAOYSA-N 1 0 404.562 5.078 40 0 HIABRO CC1=C[C@@H](C[NH+]2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 ZINC000030882884 291262155 /nfs/dbraw/zinc/26/21/55/291262155.db2.gz AYEOUGRRWIBUHQ-VABKMULXSA-N 1 0 424.589 4.233 40 0 biogenic,in-vitro HIABRO CCC(CC)C(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2cccs2)nc(C)n1 ZINC000008623081 291262693 /nfs/dbraw/zinc/26/26/93/291262693.db2.gz INPMOYGCGRLHMS-OTWHNJEPSA-N 1 0 412.603 4.244 40 0 biogenic,in-vitro HIABRO Cc1ccc(C[NH2+]C[C@H]2O[C@H](Cc3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)cc1 ZINC000077262615 291268086 /nfs/dbraw/zinc/26/80/86/291268086.db2.gz LYJMYMOWQAIVCN-WPFOTENUSA-N 1 0 410.489 4.030 40 0 biogenic,in-vitro HIABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 ZINC000072341496 524030498 /nfs/dbraw/zinc/03/04/98/524030498.db2.gz UCGLGLADPNAPFW-FQEVSTJZSA-N 1 0 407.518 4.160 40 0 HIABRO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000044852863 525426581 /nfs/dbraw/zinc/42/65/81/525426581.db2.gz AZVHTRLBDILCFQ-GOSISDBHSA-N 1 0 400.950 4.444 40 0 HIABRO COc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccccc3)CC1)CC(C)(C)O2 ZINC000044855516 525584330 /nfs/dbraw/zinc/58/43/30/525584330.db2.gz SDTIOTYJPTWFOJ-JOCHJYFZSA-N 1 0 408.542 4.326 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019765415 527077041 /nfs/dbraw/zinc/07/70/41/527077041.db2.gz CSRRODGIYIYPCM-NRFANRHFSA-N 1 0 418.516 4.234 40 0 HIABRO O=C(COc1ccc(Br)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850167 557765383 /nfs/dbraw/zinc/76/53/83/557765383.db2.gz PZLDZWFUUXJIJZ-UHFFFAOYSA-N 1 0 417.347 4.130 40 0 HIABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1Cl ZINC000008497878 557793489 /nfs/dbraw/zinc/79/34/89/557793489.db2.gz NKWJYIGJWKCZCW-LBPRGKRZSA-N 1 0 414.727 4.161 40 0 HIABRO O=C(c1ccc(Cl)nc1Cl)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000036569482 557849100 /nfs/dbraw/zinc/84/91/00/557849100.db2.gz JRJMZGVDWPHJIW-BUIAKZPTSA-N 1 0 406.357 4.424 40 0 HIABRO CCCn1ncc2ccc([C@@H]3CCC[N@H+](CC(=O)N4CCCc5ccccc54)C3)nc21 ZINC000019742194 558262421 /nfs/dbraw/zinc/26/24/21/558262421.db2.gz VNQNUPKDYMAIEE-OAQYLSRUSA-N 1 0 417.557 4.000 40 0 HIABRO CCCn1ncc2ccc([C@H]3CCC[N@H+](CC(=O)N4CCCc5ccccc54)C3)nc21 ZINC000019742196 558262437 /nfs/dbraw/zinc/26/24/37/558262437.db2.gz VNQNUPKDYMAIEE-NRFANRHFSA-N 1 0 417.557 4.000 40 0 HIABRO O=C(NCc1ccccc1-n1ccnc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019934357 558311437 /nfs/dbraw/zinc/31/14/37/558311437.db2.gz QWPZHCMPYKMLIZ-UHFFFAOYSA-N 1 0 422.532 4.361 40 0 HIABRO OC1(c2ccc(C(F)(F)F)cc2)CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000012147603 558338415 /nfs/dbraw/zinc/33/84/15/558338415.db2.gz AYXCRJYGPLQPST-UHFFFAOYSA-N 1 0 415.459 4.434 40 0 HIABRO COc1ccc(C[N@@H+](Cc2cccn2-c2ccccn2)C[C@H]2CCCO2)cc1OC ZINC000012148068 558338422 /nfs/dbraw/zinc/33/84/22/558338422.db2.gz DBGDXCNPZOCJHK-OAQYLSRUSA-N 1 0 407.514 4.071 40 0 HIABRO COc1ccc(-c2cccc(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)c2)cc1 ZINC000012185807 558345246 /nfs/dbraw/zinc/34/52/46/558345246.db2.gz QEVUNMZOJHSXAE-GOSISDBHSA-N 1 0 405.494 4.474 40 0 HIABRO CC(C)OCCC[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012186544 558345581 /nfs/dbraw/zinc/34/55/81/558345581.db2.gz UCNIPBXKMWNXSU-UHFFFAOYSA-N 1 0 414.525 4.055 40 0 HIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)c(OC)c1 ZINC000012188038 558347053 /nfs/dbraw/zinc/34/70/53/558347053.db2.gz RCBAOEAMUBQNLF-FQEVSTJZSA-N 1 0 415.917 4.331 40 0 HIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)C[C@H]2O ZINC000012293584 558366739 /nfs/dbraw/zinc/36/67/39/558366739.db2.gz BZQFXPSOOKKVMX-DNQXCXABSA-N 1 0 419.521 4.233 40 0 HIABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293675 558367028 /nfs/dbraw/zinc/36/70/28/558367028.db2.gz WQPNMAUEGIQXDG-NHCUHLMSSA-N 1 0 417.933 4.123 40 0 HIABRO COc1ccccc1C1([NH2+]Cc2ccc(OCC(=O)N3CCCC3)cc2)CCCC1 ZINC000012328745 558383689 /nfs/dbraw/zinc/38/36/89/558383689.db2.gz WMFJEWJKQUJNPQ-UHFFFAOYSA-N 1 0 408.542 4.256 40 0 HIABRO COc1nc2cc(C)ccc2cc1C[NH+]1CCC(NC(C)=O)(c2ccccc2F)CC1 ZINC000012330648 558385440 /nfs/dbraw/zinc/38/54/40/558385440.db2.gz FACPKLVTSGLRTD-UHFFFAOYSA-N 1 0 421.516 4.318 40 0 HIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000022913723 558520474 /nfs/dbraw/zinc/52/04/74/558520474.db2.gz LDOKFAAHBCIWKS-QFIPXVFZSA-N 1 0 403.530 4.150 40 0 HIABRO COc1cc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c(OC)cc1Cl ZINC000039752362 558686993 /nfs/dbraw/zinc/68/69/93/558686993.db2.gz LPMIICVCTNSRQL-UHFFFAOYSA-N 1 0 406.885 4.347 40 0 HIABRO CCOC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834577 558817758 /nfs/dbraw/zinc/81/77/58/558817758.db2.gz GJCZYTHZJVNTDY-KRWDZBQOSA-N 1 0 400.906 4.367 40 0 HIABRO O=C(Nc1ccc(I)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834812 558817773 /nfs/dbraw/zinc/81/77/73/558817773.db2.gz IBXHFXITEMETQO-MRXNPFEDSA-N 1 0 420.294 4.142 40 0 HIABRO O=C(Nc1ccc(I)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834811 558817809 /nfs/dbraw/zinc/81/78/09/558817809.db2.gz IBXHFXITEMETQO-INIZCTEOSA-N 1 0 420.294 4.142 40 0 HIABRO Cc1ccccc1CSCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038853012 558819037 /nfs/dbraw/zinc/81/90/37/558819037.db2.gz YJCOINLWMJUUHF-FQEVSTJZSA-N 1 0 400.563 4.396 40 0 HIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019081861 558839992 /nfs/dbraw/zinc/83/99/92/558839992.db2.gz QEPXLMUAVBMRPA-UWJYYQICSA-N 1 0 401.501 4.475 40 0 HIABRO CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2n1 ZINC000019083840 558840622 /nfs/dbraw/zinc/84/06/22/558840622.db2.gz CYEXMKJDPYCTQY-AWEZNQCLSA-N 1 0 410.484 4.262 40 0 HIABRO Cc1cc2c(cc1Cl)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125631 558844624 /nfs/dbraw/zinc/84/46/24/558844624.db2.gz XHOOPBOIMCWNOQ-UXHICEINSA-N 1 0 423.887 4.311 40 0 HIABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)ccc1OC1CCCC1 ZINC000019215995 558850040 /nfs/dbraw/zinc/85/00/40/558850040.db2.gz QWORLZQCGYTLDV-HXAGEGRHSA-N 1 0 422.569 4.450 40 0 HIABRO COc1ccc(CN(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1CO ZINC000019216509 558850511 /nfs/dbraw/zinc/85/05/11/558850511.db2.gz CJQCBNDUSUYQLO-UHFFFAOYSA-N 1 0 400.563 4.400 40 0 HIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000019234959 558854143 /nfs/dbraw/zinc/85/41/43/558854143.db2.gz OAVJKABNINHNRL-AREMUKBSSA-N 1 0 414.553 4.023 40 0 HIABRO CNc1cc([C@H]2CCC[N@H+](Cc3cccc(C)c3OC)C2)nc(-c2cccnc2)n1 ZINC000019235973 558855116 /nfs/dbraw/zinc/85/51/16/558855116.db2.gz IZJIVIQCEJQDMO-IBGZPJMESA-N 1 0 403.530 4.277 40 0 HIABRO Cc1cnccc1C[NH+]1CCC([C@H](NC(=O)c2ccccc2C)c2ccccn2)CC1 ZINC000019236885 558856313 /nfs/dbraw/zinc/85/63/13/558856313.db2.gz NMPZHCRTTDEBKC-VWLOTQADSA-N 1 0 414.553 4.477 40 0 HIABRO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]21 ZINC000019237873 558856938 /nfs/dbraw/zinc/85/69/38/558856938.db2.gz DZQXHIZBMQVVEY-LJGDZFJRSA-N 1 0 415.537 4.094 40 0 HIABRO Cc1nc(C[C@@H]([NH2+]Cc2ccc3ncccc3c2)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285345 558859662 /nfs/dbraw/zinc/85/96/62/558859662.db2.gz LSHMCDOFNPBHKY-JOCHJYFZSA-N 1 0 404.901 4.354 40 0 HIABRO O=C(Cc1ccccc1)N1C[C@@H]2CCCC[N@@H+](CCCOc3ccccc3F)[C@@H]2C1 ZINC000019370313 558878372 /nfs/dbraw/zinc/87/83/72/558878372.db2.gz WXVBTQXLBUHUFP-JTHBVZDNSA-N 1 0 410.533 4.150 40 0 HIABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CC=CCC4)[nH]c(=O)c3C2)CC1 ZINC000019495978 558894878 /nfs/dbraw/zinc/89/48/78/558894878.db2.gz SDETYPROWHVNFW-LAKQMRRBSA-N 1 0 424.589 4.139 40 0 HIABRO CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019521359 558902642 /nfs/dbraw/zinc/90/26/42/558902642.db2.gz JWUJKVHYCQZOIO-NBGIEHNGSA-N 1 0 403.526 4.419 40 0 HIABRO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](Cc4ccc(OC)cc4)C3)cc2n1 ZINC000019522425 558903721 /nfs/dbraw/zinc/90/37/21/558903721.db2.gz ZSHOCIIYCPIRMS-OAHLLOKOSA-N 1 0 404.436 4.309 40 0 HIABRO CCCc1ncc(C[N@@H+]2CC[C@@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019525729 558907339 /nfs/dbraw/zinc/90/73/39/558907339.db2.gz IUKOCECZIMDLNJ-OAHLLOKOSA-N 1 0 418.467 4.043 40 0 HIABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccc2F)C1 ZINC000019529150 558910778 /nfs/dbraw/zinc/91/07/78/558910778.db2.gz PRALENAWXWVANA-AREMUKBSSA-N 1 0 417.528 4.459 40 0 HIABRO COc1cccc(OCC2C3CCC(C3)[N@@H+]2Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000019566010 558925926 /nfs/dbraw/zinc/92/59/26/558925926.db2.gz VTGFTJPFOSVDII-UEXGIBASSA-N 1 0 413.514 4.153 40 0 HIABRO COc1ccccc1NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019571298 558929894 /nfs/dbraw/zinc/92/98/94/558929894.db2.gz RWBLUICYQGUWEZ-QGZVFWFLSA-N 1 0 409.461 4.454 40 0 HIABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 ZINC000019577463 558933212 /nfs/dbraw/zinc/93/32/12/558933212.db2.gz XMOFEAGSMVCUAW-KRWDZBQOSA-N 1 0 411.575 4.272 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](Cc2ccccc2)C1 ZINC000019579543 558935068 /nfs/dbraw/zinc/93/50/68/558935068.db2.gz VWCJWCITUNUEAV-RUZDIDTESA-N 1 0 403.526 4.255 40 0 HIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)C1 ZINC000072330588 558935151 /nfs/dbraw/zinc/93/51/51/558935151.db2.gz ONUZYKQENOTARR-XSHFQTFOSA-N 1 0 419.569 4.233 40 0 HIABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 ZINC000072335295 558936435 /nfs/dbraw/zinc/93/64/35/558936435.db2.gz QJSFELWRKPQBHH-HFJQGTKSSA-N 1 0 405.542 4.020 40 0 HIABRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)C1(c2cccc(F)c2)CCOCC1 ZINC000019655001 558948369 /nfs/dbraw/zinc/94/83/69/558948369.db2.gz PBRYZDIVHPHDKA-QHCPKHFHSA-N 1 0 410.533 4.217 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnc3C)C2)cc1Cc1c(C)n[nH]c1C ZINC000019658395 558950446 /nfs/dbraw/zinc/95/04/46/558950446.db2.gz STIYMLAYMIYDHW-NRFANRHFSA-N 1 0 407.562 4.043 40 0 HIABRO Cc1ccc([C@H](CNC(=O)C2(c3cccc(C)c3)CCOCC2)[NH+]2CCCC2)cc1 ZINC000019662536 558953431 /nfs/dbraw/zinc/95/34/31/558953431.db2.gz KLSIGCXMKJILSW-DEOSSOPVSA-N 1 0 406.570 4.305 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019687418 558957352 /nfs/dbraw/zinc/95/73/52/558957352.db2.gz OXNDPIQLGJCVTQ-FQEVSTJZSA-N 1 0 410.953 4.242 40 0 HIABRO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)s1 ZINC000072371795 558959112 /nfs/dbraw/zinc/95/91/12/558959112.db2.gz VMEGNEQRDSMNRY-HNNXBMFYSA-N 1 0 402.951 4.439 40 0 HIABRO Cc1nc([C@@H]2CCC[N@@H+](C3CCCC3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000072371922 558959253 /nfs/dbraw/zinc/95/92/53/558959253.db2.gz RNDGDWXQWUJVBE-OAQYLSRUSA-N 1 0 418.585 4.429 40 0 HIABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)c1C ZINC000019690021 558959412 /nfs/dbraw/zinc/95/94/12/558959412.db2.gz YHHSYBFLTFOACW-NRFANRHFSA-N 1 0 408.525 4.211 40 0 HIABRO FC(F)(F)[C@H]1C[C@@H](C2CC[NH+](CCCCOc3ccccc3)CC2)Nc2ncnn21 ZINC000072395709 558974818 /nfs/dbraw/zinc/97/48/18/558974818.db2.gz FGDUCCZUJPAWFV-RBUKOAKNSA-N 1 0 423.483 4.137 40 0 HIABRO C[C@@H](CC[NH+]1CCCCCC1)NC(=O)c1cc(-c2ccnn2C)nc2ccccc21 ZINC000019717670 558980543 /nfs/dbraw/zinc/98/05/43/558980543.db2.gz TZURVZUMFATPLS-SFHVURJKSA-N 1 0 405.546 4.020 40 0 HIABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053525 559093739 /nfs/dbraw/zinc/09/37/39/559093739.db2.gz WOBUVWFSYUPPPE-NRFANRHFSA-N 1 0 407.558 4.145 40 0 HIABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053524 559093753 /nfs/dbraw/zinc/09/37/53/559093753.db2.gz WOBUVWFSYUPPPE-OAQYLSRUSA-N 1 0 407.558 4.145 40 0 HIABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21 ZINC000096053522 559093755 /nfs/dbraw/zinc/09/37/55/559093755.db2.gz USDIHPYOSOVIML-HXUWFJFHSA-N 1 0 407.558 4.145 40 0 HIABRO COc1ccc(C[NH+]2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)cc1 ZINC000096099949 559095158 /nfs/dbraw/zinc/09/51/58/559095158.db2.gz VHOXUGOJFUFTIB-UHFFFAOYSA-N 1 0 413.525 4.419 40 0 HIABRO C[C@@H]1CCCCN1C(=O)c1ncn2c1nccc2C1CC[NH+](Cc2ccccc2)CC1 ZINC000096155696 559099889 /nfs/dbraw/zinc/09/98/89/559099889.db2.gz FKPKTIBJBAZISO-LJQANCHMSA-N 1 0 417.557 4.124 40 0 HIABRO O=C1CO[C@@]2(CN1c1ccc(F)cc1)CCC[N@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000585261768 559109397 /nfs/dbraw/zinc/10/93/97/559109397.db2.gz IRLXEEJBOKLNAX-DEOSSOPVSA-N 1 0 407.489 4.095 40 0 HIABRO Cc1cc(OC[C@@]2(O)COCC[N@@H+]([C@H]3CC[C@H](c4ccccc4)CC3)C2)ccc1F ZINC000585282015 559119711 /nfs/dbraw/zinc/11/97/11/559119711.db2.gz FPDJYLJHMSWEOQ-HWBMXIPRSA-N 1 0 413.533 4.303 40 0 HIABRO COc1cc(/C=C/c2cccc[n+]2C)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000005002315 560620297 /nfs/dbraw/zinc/62/02/97/560620297.db2.gz NOHPVBAXDMIZAV-PKNBQFBNSA-O 1 0 409.893 4.361 40 0 HIABRO CC(C)(C)SCCNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408921833 560654433 /nfs/dbraw/zinc/65/44/33/560654433.db2.gz YFCHJWPLVRPQQO-UHFFFAOYSA-N 1 0 411.615 4.270 40 0 HIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 ZINC000006629902 560744554 /nfs/dbraw/zinc/74/45/54/560744554.db2.gz BXLRKUJGXXDEER-UHFFFAOYSA-N 1 0 420.376 4.418 40 0 HIABRO CN(CC[NH+](C)C)CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000020494269 560885664 /nfs/dbraw/zinc/88/56/64/560885664.db2.gz HYOYXBFPRFVSHY-UHFFFAOYSA-N 1 0 409.477 4.328 40 0 HIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCN3CCCc4ccccc43)cc2)C1 ZINC000219243105 568488442 /nfs/dbraw/zinc/48/84/42/568488442.db2.gz XAACEJAIAGJYBI-NRFANRHFSA-N 1 0 405.586 4.491 40 0 HIABRO CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219346130 568490313 /nfs/dbraw/zinc/49/03/13/568490313.db2.gz KREJPXSLDOFEBZ-QHCPKHFHSA-N 1 0 403.526 4.388 40 0 HIABRO CO[C@]1(Cn2cnc3ccccc32)CCC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000057774467 568497440 /nfs/dbraw/zinc/49/74/40/568497440.db2.gz IINSXWHKRAMMLI-RUZDIDTESA-N 1 0 416.525 4.190 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223234856 568541934 /nfs/dbraw/zinc/54/19/34/568541934.db2.gz RBOOARUWPGBUFH-FGZHOGPDSA-N 1 0 411.619 4.313 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223241746 568542338 /nfs/dbraw/zinc/54/23/38/568542338.db2.gz LZLYMVLMWRJDBM-FGZHOGPDSA-N 1 0 424.545 4.405 40 0 HIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000223282461 568544147 /nfs/dbraw/zinc/54/41/47/568544147.db2.gz INROMTFINLPFDC-RTWAWAEBSA-N 1 0 424.595 4.360 40 0 HIABRO O=C(NCCOc1ccc2ccccc2c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223637841 568554327 /nfs/dbraw/zinc/55/43/27/568554327.db2.gz VQMHFLQYPDCYHY-QFIPXVFZSA-N 1 0 406.501 4.386 40 0 HIABRO Cc1cc(C)cc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000224106321 568570215 /nfs/dbraw/zinc/57/02/15/568570215.db2.gz IFRSLRHOSALMLG-FQEVSTJZSA-N 1 0 400.950 4.364 40 0 HIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000224168452 568572263 /nfs/dbraw/zinc/57/22/63/568572263.db2.gz FMHIOVQJRVHPSC-UHFFFAOYSA-N 1 0 404.913 4.195 40 0 HIABRO CCn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)ccc21 ZINC000225111197 568615231 /nfs/dbraw/zinc/61/52/31/568615231.db2.gz GKYCHAVSITXHSY-UHFFFAOYSA-N 1 0 413.518 4.073 40 0 HIABRO Cc1cccnc1C(=O)N1[C@@H]2CCCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257224215 568783357 /nfs/dbraw/zinc/78/33/57/568783357.db2.gz FAUBAODHVUPWFF-ULKMUXEJSA-N 1 0 403.570 4.479 40 0 HIABRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2OCc2ccccc2)CC[C@@H]1O ZINC000257226529 568783970 /nfs/dbraw/zinc/78/39/70/568783970.db2.gz FLABXCGPQFTVFU-ZEQRLZLVSA-N 1 0 424.585 4.025 40 0 HIABRO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257235799 568786269 /nfs/dbraw/zinc/78/62/69/568786269.db2.gz GZNGCFIXWQEVSA-RUZDIDTESA-N 1 0 407.558 4.025 40 0 HIABRO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257244051 568788477 /nfs/dbraw/zinc/78/84/77/568788477.db2.gz IJQMPHBTJHIZGJ-RTBURBONSA-N 1 0 407.562 4.189 40 0 HIABRO CC(C)c1ccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000257273359 568796610 /nfs/dbraw/zinc/79/66/10/568796610.db2.gz NGFJTOWVYWHATR-OALUTQOASA-N 1 0 424.589 4.162 40 0 HIABRO COc1ncccc1C(=O)N1[C@@H]2CCCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257286988 568800738 /nfs/dbraw/zinc/80/07/38/568800738.db2.gz PNYOZZBTBWANKX-ULKMUXEJSA-N 1 0 419.569 4.179 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000306144627 568906125 /nfs/dbraw/zinc/90/61/25/568906125.db2.gz ZKJFJXVTUWJDOA-WIOPSUGQSA-N 1 0 424.589 4.089 40 0 HIABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000027533994 568916613 /nfs/dbraw/zinc/91/66/13/568916613.db2.gz BHSZPOUQRCMKOD-GAWOJFTKSA-N 1 0 419.009 4.117 40 0 HIABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000033857391 569027760 /nfs/dbraw/zinc/02/77/60/569027760.db2.gz XPZYNXNJVXSWRE-RLLPEYFOSA-N 1 0 409.014 4.300 40 0 HIABRO CC[NH+]1CCN(c2ccc(NCc3cc4ccc(SC)cc4[nH]c3=O)cc2)CC1 ZINC000013564185 569051981 /nfs/dbraw/zinc/05/19/81/569051981.db2.gz QEAZJSKWVIWXIL-UHFFFAOYSA-N 1 0 408.571 4.004 40 0 HIABRO 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 569058921 /nfs/dbraw/zinc/05/89/21/569058921.db2.gz JATBDXCMEJWEEG-GKJHBJHPSA-N 1 0 408.571 4.173 40 0 HIABRO CC(=O)OC[C@@H](O)[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026896803 569292400 /nfs/dbraw/zinc/29/24/00/569292400.db2.gz CMZNZNSAXHGUBS-IZZNHLLZSA-N 1 0 403.522 4.224 40 0 HIABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 ZINC000253602666 569318425 /nfs/dbraw/zinc/31/84/25/569318425.db2.gz QJSFELWRKPQBHH-BOCKYXSRSA-N 1 0 405.542 4.020 40 0 HIABRO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OCC ZINC000009062597 569342136 /nfs/dbraw/zinc/34/21/36/569342136.db2.gz CAGHGESVNLTWAW-UHFFFAOYSA-N 1 0 410.558 4.321 40 0 HIABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000009062959 569342230 /nfs/dbraw/zinc/34/22/30/569342230.db2.gz DXLJMJCXABJELF-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO CCN(CC)C(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009063077 569342336 /nfs/dbraw/zinc/34/23/36/569342336.db2.gz OHVSWMKOXIWLIJ-UHFFFAOYSA-N 1 0 407.558 4.328 40 0 HIABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000009063629 569342488 /nfs/dbraw/zinc/34/24/88/569342488.db2.gz CQZXWNYUZCXVFD-UHFFFAOYSA-N 1 0 404.869 4.116 40 0 HIABRO C[C@H](C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000019456113 569345405 /nfs/dbraw/zinc/34/54/05/569345405.db2.gz AOUGWCHXBKCHMN-QFZWGZQFSA-N 1 0 414.553 4.463 40 0 HIABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3ccccc3C)CC2)nc1-c1ccc(OC)cc1 ZINC000019697006 569346828 /nfs/dbraw/zinc/34/68/28/569346828.db2.gz FKNSGVHRCGSRGI-UHFFFAOYSA-N 1 0 418.541 4.133 40 0 HIABRO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@@H+]2Cc2cnn(C3CCCCC3)c2)cc1 ZINC000019713922 569348498 /nfs/dbraw/zinc/34/84/98/569348498.db2.gz MTDJAMBRXLNPCF-RBZQAINGSA-N 1 0 422.573 4.381 40 0 HIABRO Cc1nc([C@]2(O)CCC[N@H+](CC3CC3)CC2)sc1CCOc1ccccc1F ZINC000019738676 569348517 /nfs/dbraw/zinc/34/85/17/569348517.db2.gz NILUFVWLXXJQPL-QFIPXVFZSA-N 1 0 404.551 4.296 40 0 HIABRO COc1ccccc1NC(=O)c1cnc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc1C ZINC000019766136 569349033 /nfs/dbraw/zinc/34/90/33/569349033.db2.gz VRXCCHDLIGCOIX-GOSISDBHSA-N 1 0 420.488 4.175 40 0 HIABRO COc1ccccc1NC(=O)c1cnc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc1C ZINC000019766137 569349063 /nfs/dbraw/zinc/34/90/63/569349063.db2.gz VRXCCHDLIGCOIX-SFHVURJKSA-N 1 0 420.488 4.175 40 0 HIABRO Cc1nc(C2CC[NH+](C3CCCCC3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766595 569349105 /nfs/dbraw/zinc/34/91/05/569349105.db2.gz QDTSUOODCSLREI-UHFFFAOYSA-N 1 0 410.537 4.366 40 0 HIABRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000055757506 569381494 /nfs/dbraw/zinc/38/14/94/569381494.db2.gz CFBVYNNDKVJNOH-KKUMJFAQSA-N 1 0 406.933 4.069 40 0 HIABRO OCC[NH+]1CCC(c2cccc(Nc3ncc(-c4ccnc(Cl)c4)s3)n2)CC1 ZINC000143185298 571263314 /nfs/dbraw/zinc/26/33/14/571263314.db2.gz MCSJWSVGROUNIF-UHFFFAOYSA-N 1 0 415.950 4.169 40 0 HIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)N1CCc2ccccc2C1 ZINC000008623662 291269357 /nfs/dbraw/zinc/26/93/57/291269357.db2.gz CIHYOUGEUSIHOE-GMAHTHKFSA-N 1 0 415.537 4.085 40 0 biogenic,in-vitro HIABRO COc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000044851788 523937545 /nfs/dbraw/zinc/93/75/45/523937545.db2.gz YNFNNYGAKMDEFR-UHFFFAOYSA-N 1 0 410.558 4.442 40 0 HIABRO C[NH+](C)CCOC(=O)C(OCCOc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000001608972 557275821 /nfs/dbraw/zinc/27/58/21/557275821.db2.gz MOFXISUOTBNXHA-UHFFFAOYSA-N 1 0 419.521 4.131 40 0 HIABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743191 558263596 /nfs/dbraw/zinc/26/35/96/558263596.db2.gz WCHAJEGFUBLJIH-NRFANRHFSA-N 1 0 408.521 4.483 40 0 HIABRO CC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2c(C)n(C)c3cc(C)ccc32)C1 ZINC000012088837 558323425 /nfs/dbraw/zinc/32/34/25/558323425.db2.gz QBZGFEZFIAQUHO-AVRDEDQJSA-N 1 0 410.587 4.341 40 0 HIABRO COc1ccc(C[N@@H+](Cc2cn(C)c3ccccc23)C[C@H]2CCCO2)c(OC)c1OC ZINC000012118233 558329612 /nfs/dbraw/zinc/32/96/12/558329612.db2.gz LVJFCRQXXTVITP-HXUWFJFHSA-N 1 0 424.541 4.385 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187254 558346296 /nfs/dbraw/zinc/34/62/96/558346296.db2.gz AUGWHMRFALREIY-QHCPKHFHSA-N 1 0 424.541 4.012 40 0 HIABRO CCOc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc1OC ZINC000012275912 558364209 /nfs/dbraw/zinc/36/42/09/558364209.db2.gz RUYDDPCZSDCVQI-UHFFFAOYSA-N 1 0 420.513 4.031 40 0 HIABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@H](O)c3cn(C)c4ccccc34)CC1)O2 ZINC000012293230 558366218 /nfs/dbraw/zinc/36/62/18/558366218.db2.gz PNNVNLRAGDFVGI-RPWUZVMVSA-N 1 0 420.553 4.179 40 0 HIABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000012293645 558367047 /nfs/dbraw/zinc/36/70/47/558367047.db2.gz KVRVFFDLTWMDDZ-MOPGFXCFSA-N 1 0 424.324 4.083 40 0 HIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000012329957 558384857 /nfs/dbraw/zinc/38/48/57/558384857.db2.gz ZIYXCMVAUUECTJ-RTWAWAEBSA-N 1 0 417.933 4.041 40 0 HIABRO CSc1ccc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000012667173 558445387 /nfs/dbraw/zinc/44/53/87/558445387.db2.gz CAJFWJZSELAIHS-UHFFFAOYSA-N 1 0 406.511 4.284 40 0 HIABRO CC(C)CCc1cc(=O)[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022448965 558490185 /nfs/dbraw/zinc/49/01/85/558490185.db2.gz JJPFIASQYNECKJ-UHFFFAOYSA-N 1 0 416.569 4.270 40 0 HIABRO CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)no2)cc1 ZINC000028296165 558699076 /nfs/dbraw/zinc/69/90/76/558699076.db2.gz DNOKPAFNFHZFDB-IBGZPJMESA-N 1 0 413.543 4.471 40 0 HIABRO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030939052 558745105 /nfs/dbraw/zinc/74/51/05/558745105.db2.gz ZSYPPYZNQREULR-MRXNPFEDSA-N 1 0 404.869 4.116 40 0 HIABRO C[N@H+](CC[C@H]1c2ccccc2COc2ccccc21)C[C@@H](O)COc1ccccc1 ZINC000031297691 558749317 /nfs/dbraw/zinc/74/93/17/558749317.db2.gz SZQLTQPHXXXMNC-QPPBQGQZSA-N 1 0 403.522 4.473 40 0 in-man HIABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1Cn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000019219874 558851481 /nfs/dbraw/zinc/85/14/81/558851481.db2.gz JVLODTFUUBFJCD-QGZVFWFLSA-N 1 0 418.463 4.035 40 0 HIABRO Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)c1 ZINC000019234412 558853763 /nfs/dbraw/zinc/85/37/63/558853763.db2.gz OTEIEXNIOOWHHK-JOCHJYFZSA-N 1 0 420.557 4.159 40 0 HIABRO Cc1cccc(C[NH+]2CCC([C@H](NC(=O)c3ccccc3C)c3ccccn3)CC2)n1 ZINC000019236873 558856042 /nfs/dbraw/zinc/85/60/42/558856042.db2.gz KGLONEYOHUIMEK-VWLOTQADSA-N 1 0 414.553 4.477 40 0 HIABRO O=c1cc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292843 558864528 /nfs/dbraw/zinc/86/45/28/558864528.db2.gz OIDYERNPYHYWPE-HNNXBMFYSA-N 1 0 401.297 4.128 40 0 HIABRO O=C(NCc1cccnc1)c1cc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)no1 ZINC000019293397 558865045 /nfs/dbraw/zinc/86/50/45/558865045.db2.gz KHPHICATBXIHBW-UHFFFAOYSA-N 1 0 410.905 4.033 40 0 HIABRO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]21 ZINC000019332155 558868760 /nfs/dbraw/zinc/86/87/60/558868760.db2.gz QSAWTPUDHNDJSB-VABKMULXSA-N 1 0 421.541 4.413 40 0 HIABRO Clc1cccc2ccc(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)nc12 ZINC000019347259 558873794 /nfs/dbraw/zinc/87/37/94/558873794.db2.gz IKVZKVNUSIEHDV-UHFFFAOYSA-N 1 0 410.949 4.008 40 0 HIABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC000019347730 558873988 /nfs/dbraw/zinc/87/39/88/558873988.db2.gz MPCADZPLFSKJQG-MQSCRBSSSA-N 1 0 421.541 4.413 40 0 HIABRO NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2ccccc2Cl)C1 ZINC000019348790 558874547 /nfs/dbraw/zinc/87/45/47/558874547.db2.gz XYQRVAKFGREIRQ-XMMPIXPASA-N 1 0 405.929 4.322 40 0 HIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3OC3CCCC3)C[C@H]2c2cccnc2)N1 ZINC000019349459 558875125 /nfs/dbraw/zinc/87/51/25/558875125.db2.gz VCXDBEOZEDMDAN-JYFHCDHNSA-N 1 0 419.569 4.431 40 0 HIABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC000019369016 558877732 /nfs/dbraw/zinc/87/77/32/558877732.db2.gz FFKFLDGAIUBTQA-VABKMULXSA-N 1 0 403.551 4.273 40 0 HIABRO O=C(c1cc2ccccc2o1)N1CCC(O)(C[N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC000019376264 558882378 /nfs/dbraw/zinc/88/23/78/558882378.db2.gz VSYJPGFZOHFPBN-NRFANRHFSA-N 1 0 419.525 4.022 40 0 HIABRO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000019401343 558883557 /nfs/dbraw/zinc/88/35/57/558883557.db2.gz OLUXNTUDLRGUMX-UHFFFAOYSA-N 1 0 424.545 4.161 40 0 HIABRO C[C@@H](NC(=O)C1CC[NH+](C2CCN(C)CC2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000019458510 558892610 /nfs/dbraw/zinc/89/26/10/558892610.db2.gz QQNDVAGKVIJBJJ-OAHLLOKOSA-N 1 0 403.954 4.070 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502944 558900401 /nfs/dbraw/zinc/90/04/01/558900401.db2.gz GKNVNRGOJZBEDA-RUZDIDTESA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503356 558900476 /nfs/dbraw/zinc/90/04/76/558900476.db2.gz BFCIBOLFEWQZQS-DEOSSOPVSA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503281 558900593 /nfs/dbraw/zinc/90/05/93/558900593.db2.gz MOJZLJGHVABVFP-XMMPIXPASA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503277 558900658 /nfs/dbraw/zinc/90/06/58/558900658.db2.gz ZRQIYBFMLMDYEE-XMMPIXPASA-N 1 0 414.553 4.057 40 0 HIABRO CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CC[N@H+](Cc2ccncc2)C1 ZINC000019529182 558910912 /nfs/dbraw/zinc/91/09/12/558910912.db2.gz WBHYTBPPBLLGDX-AREMUKBSSA-N 1 0 417.528 4.459 40 0 HIABRO Cc1nc(-c2ccccn2)sc1C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000019561003 558921883 /nfs/dbraw/zinc/92/18/83/558921883.db2.gz VNRALCGZJFPYOB-UHFFFAOYSA-N 1 0 420.582 4.293 40 0 HIABRO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2O1 ZINC000072330572 558935220 /nfs/dbraw/zinc/93/52/20/558935220.db2.gz WSBUQQOHDOYUOG-QLWBXOBMSA-N 1 0 419.569 4.275 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019580311 558935774 /nfs/dbraw/zinc/93/57/74/558935774.db2.gz RBIYQWZBDZNERI-SANMLTNESA-N 1 0 417.528 4.411 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000019580353 558936047 /nfs/dbraw/zinc/93/60/47/558936047.db2.gz SUTFSIPGUQCCQL-SANMLTNESA-N 1 0 417.528 4.411 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(OC)cc3)C2)cc1 ZINC000072345907 558942508 /nfs/dbraw/zinc/94/25/08/558942508.db2.gz OUMHJWHWOGXBCG-LJQANCHMSA-N 1 0 404.514 4.123 40 0 HIABRO Cc1cccc(C2(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+](C)C)CCOCC2)c1 ZINC000019654783 558947977 /nfs/dbraw/zinc/94/79/77/558947977.db2.gz WJCHQQZZONAANA-NRFANRHFSA-N 1 0 400.950 4.116 40 0 HIABRO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000072352073 558948345 /nfs/dbraw/zinc/94/83/45/558948345.db2.gz RTNOKEGCGBWGSS-QGZVFWFLSA-N 1 0 420.554 4.039 40 0 HIABRO Cc1nc([C@H]2CC[N@H+](Cc3ccc(O)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072355007 558952270 /nfs/dbraw/zinc/95/22/70/558952270.db2.gz RQQDHZHWOCESOP-KRWDZBQOSA-N 1 0 422.916 4.386 40 0 HIABRO O=C(CCCc1ccccc1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355230 558952588 /nfs/dbraw/zinc/95/25/88/558952588.db2.gz DEWHEIRWLNDDOQ-HSZRJFAPSA-N 1 0 405.586 4.350 40 0 HIABRO Cc1noc2nc(C)cc(C(=O)Nc3ccccc3OCC[NH+]3CCC(C)CC3)c12 ZINC000019662718 558953759 /nfs/dbraw/zinc/95/37/59/558953759.db2.gz NVOQSNXDAAAURX-UHFFFAOYSA-N 1 0 408.502 4.203 40 0 HIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359386 558954957 /nfs/dbraw/zinc/95/49/57/558954957.db2.gz PXUHCSWKXRWRKT-QGZVFWFLSA-N 1 0 420.479 4.210 40 0 HIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359385 558954980 /nfs/dbraw/zinc/95/49/80/558954980.db2.gz PXUHCSWKXRWRKT-KRWDZBQOSA-N 1 0 420.479 4.210 40 0 HIABRO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccc5cc(OC)ccc5n4)C3)n2)c1 ZINC000072369904 558956146 /nfs/dbraw/zinc/95/61/46/558956146.db2.gz FYVVFRXBMICTMZ-SFHVURJKSA-N 1 0 416.481 4.292 40 0 HIABRO Cc1c(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019687410 558957357 /nfs/dbraw/zinc/95/73/57/558957357.db2.gz KRZZFICQWBJQKA-FQEVSTJZSA-N 1 0 410.953 4.242 40 0 HIABRO COc1cccc2ccc(C[NH+]3CCC(c4ccc(-c5cnn(C)c5)cn4)CC3)nc21 ZINC000019689086 558958642 /nfs/dbraw/zinc/95/86/42/558958642.db2.gz KGRYSCFXVSHNNE-UHFFFAOYSA-N 1 0 413.525 4.419 40 0 HIABRO Cc1cnc(NC(=O)C2(Cc3cccc([C@@H]4CCC[N@@H+](C)C4)c3)CCOCC2)s1 ZINC000072372241 558959522 /nfs/dbraw/zinc/95/95/22/558959522.db2.gz IICZVUDGNVFSDL-HXUWFJFHSA-N 1 0 413.587 4.239 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 ZINC000019694069 558962352 /nfs/dbraw/zinc/96/23/52/558962352.db2.gz SVQAVONDFYBCSF-GOSISDBHSA-N 1 0 424.980 4.285 40 0 HIABRO Cc1nn(C)cc1C(=O)NC1CC[NH+](CC2(c3ccc(C)cc3)CCCCC2)CC1 ZINC000072393568 558973011 /nfs/dbraw/zinc/97/30/11/558973011.db2.gz FHXCLBLJANCTOB-UHFFFAOYSA-N 1 0 408.590 4.133 40 0 HIABRO CCCc1ccc2[nH]c(=O)c(CNc3ccc(N4CC[NH+](CC)CC4)cc3)cc2c1 ZINC000072396188 558975224 /nfs/dbraw/zinc/97/52/24/558975224.db2.gz PIJMCMKTOFPIDU-UHFFFAOYSA-N 1 0 404.558 4.235 40 0 HIABRO Cc1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCCC3)cc1 ZINC000022407999 558990379 /nfs/dbraw/zinc/99/03/79/558990379.db2.gz IMBIMBDCIBYSIX-NRFANRHFSA-N 1 0 400.340 4.408 40 0 HIABRO CC(C)c1snnc1C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100427 559024023 /nfs/dbraw/zinc/02/40/23/559024023.db2.gz WEHXWTYUYBDXCC-QFIPXVFZSA-N 1 0 416.566 4.462 40 0 HIABRO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@@H+]4C[C@@H]4CCCO4)CC3)oc21 ZINC000585100857 559025504 /nfs/dbraw/zinc/02/55/04/559025504.db2.gz ZAXHYZFIEGOQGA-YADARESESA-N 1 0 412.530 4.081 40 0 HIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000585106802 559029138 /nfs/dbraw/zinc/02/91/38/559029138.db2.gz IKMPFNSBQCHFOK-DEOSSOPVSA-N 1 0 420.582 4.467 40 0 HIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3ccccc3)C2)C1 ZINC000585107038 559029348 /nfs/dbraw/zinc/02/93/48/559029348.db2.gz OUUROHBSPCIMAW-SANMLTNESA-N 1 0 414.553 4.406 40 0 HIABRO CC[NH+](CC)CCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096038082 559091753 /nfs/dbraw/zinc/09/17/53/559091753.db2.gz QTFQIYAGTMHDSR-UHFFFAOYSA-N 1 0 415.541 4.254 40 0 HIABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC000096052755 559092299 /nfs/dbraw/zinc/09/22/99/559092299.db2.gz FJJTYTQGSWCANM-IBGZPJMESA-N 1 0 407.558 4.371 40 0 HIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052800 559092387 /nfs/dbraw/zinc/09/23/87/559092387.db2.gz WKHWVKREIVBMLK-FQEVSTJZSA-N 1 0 410.583 4.018 40 0 HIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053394 559093308 /nfs/dbraw/zinc/09/33/08/559093308.db2.gz ILWTZNSYZQYDKY-IBGZPJMESA-N 1 0 405.542 4.041 40 0 HIABRO O=C1CO[C@]2(CN1c1ccc(F)cc1)CCC[N@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000585261864 559109549 /nfs/dbraw/zinc/10/95/49/559109549.db2.gz ZPTADTNIOQUISO-XMMPIXPASA-N 1 0 407.489 4.095 40 0 HIABRO Cc1cnc(Nc2ccnc(CC3CC[NH+](Cc4cnc(C(C)C)nc4)CC3)n2)s1 ZINC000585263318 559112001 /nfs/dbraw/zinc/11/20/01/559112001.db2.gz VPYAKSWVSLHWHZ-UHFFFAOYSA-N 1 0 423.590 4.353 40 0 HIABRO CC[C@H](C)C[N@@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270535 559116352 /nfs/dbraw/zinc/11/63/52/559116352.db2.gz ZBRNOIREPPJJRK-CVDCTZTESA-N 1 0 422.997 4.239 40 0 HIABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290678 559123295 /nfs/dbraw/zinc/12/32/95/559123295.db2.gz SSSXTPJEHNEJBM-ZDUSSCGKSA-N 1 0 409.437 4.295 40 0 HIABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216487 559169521 /nfs/dbraw/zinc/16/95/21/559169521.db2.gz YSIUVKQKZLWYFZ-FQEVSTJZSA-N 1 0 402.583 4.466 40 0 HIABRO C[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCc4cccc(F)c4)CCOCC3)c2)C1 ZINC000072372243 559186320 /nfs/dbraw/zinc/18/63/20/559186320.db2.gz BCVWODJOYBECBP-QHCPKHFHSA-N 1 0 424.560 4.291 40 0 HIABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(OC)c2)cc1 ZINC000072376773 559186549 /nfs/dbraw/zinc/18/65/49/559186549.db2.gz YBMUWGSQALLCSL-JOCHJYFZSA-N 1 0 404.514 4.470 40 0 HIABRO COC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000257312448 559282828 /nfs/dbraw/zinc/28/28/28/559282828.db2.gz UNZMXWVHQMHJCF-UHFFFAOYSA-N 1 0 402.922 4.358 40 0 HIABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)COc1ccccc1 ZINC000257323675 559283178 /nfs/dbraw/zinc/28/31/78/559283178.db2.gz WLJJZQYCWVQLAJ-TYUWDEHNSA-N 1 0 404.554 4.198 40 0 HIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257224443 559283679 /nfs/dbraw/zinc/28/36/79/559283679.db2.gz FBWBNQFVAKJXEI-HXUWFJFHSA-N 1 0 418.537 4.360 40 0 HIABRO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2N(C)C3=O)c1 ZINC000514289346 560032956 /nfs/dbraw/zinc/03/29/56/560032956.db2.gz ISJWZQHKXCJZKA-GGAORHGYSA-N 1 0 408.542 4.316 40 0 biogenic,in-vitro HIABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000004041179 560598086 /nfs/dbraw/zinc/59/80/86/560598086.db2.gz LFQOBUGWTJTTGE-HOAOBNHOSA-N 1 0 423.597 4.226 40 0 HIABRO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1 ZINC000004231270 560602962 /nfs/dbraw/zinc/60/29/62/560602962.db2.gz REJIKLXOHKFGNO-UHFFFAOYSA-N 1 0 406.530 4.076 40 0 HIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231323 560603096 /nfs/dbraw/zinc/60/30/96/560603096.db2.gz OOUIQNNPBHLLLJ-JOCHJYFZSA-N 1 0 418.541 4.355 40 0 HIABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O ZINC000008253784 560753441 /nfs/dbraw/zinc/75/34/41/560753441.db2.gz SKQDZAFXUSGZFL-NSDYXAQKSA-N 1 0 420.981 4.297 40 0 HIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000017088643 560863609 /nfs/dbraw/zinc/86/36/09/560863609.db2.gz BZLAYPOYKVMQJL-UHFFFAOYSA-N 1 0 410.587 4.079 40 0 HIABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022869952 560891163 /nfs/dbraw/zinc/89/11/63/560891163.db2.gz PRFWJKBNPGNZOH-YJRNTSOCSA-N 1 0 421.025 4.050 40 0 HIABRO CC1CC[NH+](Cc2ccc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)cc2)CC1 ZINC000219236232 568488356 /nfs/dbraw/zinc/48/83/56/568488356.db2.gz LTDGATYVAIWOPG-UHFFFAOYSA-N 1 0 404.514 4.241 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCN2CCCc3ccccc32)CC1 ZINC000219406247 568491412 /nfs/dbraw/zinc/49/14/12/568491412.db2.gz AFMMGYSJTHTXJC-UHFFFAOYSA-N 1 0 405.586 4.166 40 0 HIABRO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC000219411935 568491568 /nfs/dbraw/zinc/49/15/68/568491568.db2.gz KHOSCVFBNSPLFA-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)OCCO2 ZINC000222732683 568525044 /nfs/dbraw/zinc/52/50/44/568525044.db2.gz GWRWFYIAYFQKHY-QFBILLFUSA-N 1 0 414.933 4.201 40 0 HIABRO COc1cccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000223415719 568548116 /nfs/dbraw/zinc/54/81/16/568548116.db2.gz JCTJRUCDICCEPS-UHFFFAOYSA-N 1 0 416.521 4.062 40 0 HIABRO COc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000223415796 568548121 /nfs/dbraw/zinc/54/81/21/568548121.db2.gz XBVFBKWBFWGVSJ-UHFFFAOYSA-N 1 0 416.521 4.062 40 0 HIABRO C[NH+]1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)CC1 ZINC000223993641 568565638 /nfs/dbraw/zinc/56/56/38/568565638.db2.gz OGOHCIKKYGQTJD-UHFFFAOYSA-N 1 0 423.630 4.022 40 0 HIABRO Cc1cc(C)cc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000224106267 568570207 /nfs/dbraw/zinc/57/02/07/568570207.db2.gz IFRSLRHOSALMLG-HXUWFJFHSA-N 1 0 400.950 4.364 40 0 HIABRO O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224616737 568588282 /nfs/dbraw/zinc/58/82/82/568588282.db2.gz JCGZFXANXKKBNP-UHFFFAOYSA-N 1 0 413.370 4.209 40 0 HIABRO O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000224780867 568596606 /nfs/dbraw/zinc/59/66/06/568596606.db2.gz ODWUNHBPHVYPGU-UHFFFAOYSA-N 1 0 413.370 4.209 40 0 HIABRO Cc1cc(NCCNC(=S)Nc2ccc(Br)cn2)c2ccccc2[nH+]1 ZINC000225224537 568624485 /nfs/dbraw/zinc/62/44/85/568624485.db2.gz RSERACZFORXMKR-UHFFFAOYSA-N 1 0 416.348 4.099 40 0 HIABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 ZINC000225566494 568651670 /nfs/dbraw/zinc/65/16/70/568651670.db2.gz RHCVMPKSGOREQP-UHFFFAOYSA-N 1 0 410.558 4.403 40 0 HIABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000225730518 568668821 /nfs/dbraw/zinc/66/88/21/568668821.db2.gz RRFSSSJMLUTWOL-GJZGRUSLSA-N 1 0 411.999 4.171 40 0 HIABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)OCCO2 ZINC000260830705 568740960 /nfs/dbraw/zinc/74/09/60/568740960.db2.gz GWRWFYIAYFQKHY-LPHOPBHVSA-N 1 0 414.933 4.201 40 0 HIABRO Cc1cccnc1Nc1cccc(C2CCN(C(=O)C[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000257224996 568783335 /nfs/dbraw/zinc/78/33/35/568783335.db2.gz FEKCBSSSDXGHDE-LJQANCHMSA-N 1 0 407.562 4.109 40 0 HIABRO COc1cccc(CC(=O)N2CCC(c3cc(Nc4ccccn4)cc(C)[nH+]3)CC2)c1 ZINC000257225176 568783478 /nfs/dbraw/zinc/78/34/78/568783478.db2.gz FFEQQBMCJAMPPX-UHFFFAOYSA-N 1 0 416.525 4.486 40 0 HIABRO 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 568784346 /nfs/dbraw/zinc/78/43/46/568784346.db2.gz FRWLSGVUPGONSD-NABGWTBKSA-N 1 0 409.599 4.459 40 0 HIABRO CN(C)c1cc([C@@H]2CCCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)ccn1 ZINC000257247176 568789430 /nfs/dbraw/zinc/78/94/30/568789430.db2.gz IXUQWYYKYHMDPP-HSZRJFAPSA-N 1 0 420.601 4.156 40 0 HIABRO 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 568794985 /nfs/dbraw/zinc/79/49/85/568794985.db2.gz MJWGVVBVCLEZST-OZOJTDJHSA-N 1 0 420.601 4.406 40 0 HIABRO CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)CC[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000257267760 568795052 /nfs/dbraw/zinc/79/50/52/568795052.db2.gz MIQICECORASVHO-NZQKXSOJSA-N 1 0 412.574 4.030 40 0 HIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257310509 568807460 /nfs/dbraw/zinc/80/74/60/568807460.db2.gz UFIQSIRQGUJWMV-GOSISDBHSA-N 1 0 401.938 4.111 40 0 HIABRO CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(C[NH+](C)C)ccc4OC)OCC[C@@]31C2 ZINC000257334531 568814376 /nfs/dbraw/zinc/81/43/76/568814376.db2.gz YGIMZRMJQKGJHI-VQJABZNLSA-N 1 0 414.590 4.165 40 0 HIABRO COc1ccccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257342410 568816797 /nfs/dbraw/zinc/81/67/97/568816797.db2.gz ZOLWFNBOVLLBJH-LCTKTHOQSA-N 1 0 404.554 4.442 40 0 HIABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)CCn4nccc4C)C3)c2)cc1 ZINC000257342243 568816905 /nfs/dbraw/zinc/81/69/05/568816905.db2.gz ZNTFGRPSWICRJY-IBGZPJMESA-N 1 0 419.529 4.053 40 0 HIABRO c1csc(C[N@H+]2CC[C@@]3(C2)CO[C@@H](c2ccccc2)CN3Cc2ccccn2)c1 ZINC000306140615 568902232 /nfs/dbraw/zinc/90/22/32/568902232.db2.gz UYYUSEUTXQTNPQ-DNQXCXABSA-N 1 0 405.567 4.361 40 0 HIABRO COc1ccccc1[C@H]1C2=C(NCC[NH+]=C2c2ccccc2)C(=O)N1c1ccccc1 ZINC000001444029 568930683 /nfs/dbraw/zinc/93/06/83/568930683.db2.gz LUZTVNVPBUHWJN-VWLOTQADSA-N 1 0 409.489 4.130 40 0 HIABRO CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329065339 568975279 /nfs/dbraw/zinc/97/52/79/568975279.db2.gz XQIMXBVMEGFUEN-UHFFFAOYSA-N 1 0 423.483 4.035 40 0 HIABRO Cc1sc(-n2cccc2)nc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198667 569058947 /nfs/dbraw/zinc/05/89/47/569058947.db2.gz FRKDBYDVVFSDHF-GPQLQYNLSA-N 1 0 422.598 4.277 40 0 HIABRO 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 569058951 /nfs/dbraw/zinc/05/89/51/569058951.db2.gz JATBDXCMEJWEEG-KKXYHZGYSA-N 1 0 408.571 4.173 40 0 HIABRO COc1ccc2c(ccn2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c1 ZINC000257199101 569059065 /nfs/dbraw/zinc/05/90/65/569059065.db2.gz SFHCSZLHAMASRL-HPJLMOCUSA-N 1 0 419.569 4.072 40 0 HIABRO C[C@@H](C[N@@H+]1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000248168849 569316644 /nfs/dbraw/zinc/31/66/44/569316644.db2.gz QLOGWAKAXKQCTO-RXFWQSSRSA-N 1 0 414.553 4.057 40 0 HIABRO CCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062570 569342134 /nfs/dbraw/zinc/34/21/34/569342134.db2.gz GQPVQVCTXJDEDK-UHFFFAOYSA-N 1 0 407.558 4.376 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000009062931 569342241 /nfs/dbraw/zinc/34/22/41/569342241.db2.gz IITYXFIBFWJIJD-UHFFFAOYSA-N 1 0 411.977 4.209 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)n1 ZINC000019236204 569345244 /nfs/dbraw/zinc/34/52/44/569345244.db2.gz MWVPOERFUCQGBG-BKMJKUGQSA-N 1 0 414.553 4.097 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C2CCCC2)c2ccccn2)C1 ZINC000019570216 569345757 /nfs/dbraw/zinc/34/57/57/569345757.db2.gz MPHKBFGYGUEKOQ-XUZZJYLKSA-N 1 0 407.558 4.350 40 0 HIABRO Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044852767 569351969 /nfs/dbraw/zinc/35/19/69/569351969.db2.gz KGMBMYVTTHILKW-ICSRJNTNSA-N 1 0 400.950 4.444 40 0 HIABRO Cc1cc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)ccc1C(C)C ZINC000329041783 571307676 /nfs/dbraw/zinc/30/76/76/571307676.db2.gz SJQZFAXBRHYRAE-UHFFFAOYSA-N 1 0 404.562 5.078 40 0 HIABRO CC1=C[C@@H](C[NH+]2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882811 291262201 /nfs/dbraw/zinc/26/22/01/291262201.db2.gz FMHRMUWVVAUDBZ-VABKMULXSA-N 1 0 408.590 4.381 40 0 biogenic,in-vitro HIABRO CC(=O)NCC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(C)cc3)o2)C[C@H]1C(C)C ZINC000030883057 291260861 /nfs/dbraw/zinc/26/08/61/291260861.db2.gz GTDMEGDIUPLWGX-VABKMULXSA-N 1 0 424.589 4.168 40 0 biogenic,in-vitro HIABRO COc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000044851794 523937592 /nfs/dbraw/zinc/93/75/92/523937592.db2.gz IQKCOZUJHRXSSI-IBGZPJMESA-N 1 0 410.558 4.298 40 0 HIABRO Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044852763 525434991 /nfs/dbraw/zinc/43/49/91/525434991.db2.gz KGMBMYVTTHILKW-AZUAARDMSA-N 1 0 400.950 4.444 40 0 HIABRO Clc1ccc(Cn2ncc3c2ncnc3NCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000032117609 526953804 /nfs/dbraw/zinc/95/38/04/526953804.db2.gz NKHLPBFCHOVQSV-UHFFFAOYSA-N 1 0 419.360 4.469 40 0 HIABRO O=C(Nc1ccc(N2CCCC2=O)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044938340 527224025 /nfs/dbraw/zinc/22/40/25/527224025.db2.gz HDLATFFYVIYVTR-UHFFFAOYSA-N 1 0 411.933 4.318 40 0 HIABRO CC[NH+](CC)C[C@@]1(C)COc2c(Br)cc(Br)cc2C1=O ZINC000005469675 557655587 /nfs/dbraw/zinc/65/55/87/557655587.db2.gz VQNZBSDKAQKMRH-HNNXBMFYSA-N 1 0 405.130 4.135 40 0 HIABRO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1F ZINC000008254142 557778492 /nfs/dbraw/zinc/77/84/92/557778492.db2.gz MIMHLPAZCCIXML-ZDUSSCGKSA-N 1 0 412.299 4.036 40 0 HIABRO CCOc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccccc1Cl ZINC000008254684 557778770 /nfs/dbraw/zinc/77/87/70/557778770.db2.gz SUVWGLBZRFJIKW-UHFFFAOYSA-N 1 0 418.965 4.130 40 0 HIABRO O=C(c1ccc(Cl)nc1Cl)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000036569483 557849423 /nfs/dbraw/zinc/84/94/23/557849423.db2.gz JRJMZGVDWPHJIW-LORHWOILSA-N 1 0 406.357 4.424 40 0 HIABRO COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000012116793 558328768 /nfs/dbraw/zinc/32/87/68/558328768.db2.gz XJBJKJDTZXPZJQ-OAQYLSRUSA-N 1 0 407.514 4.275 40 0 HIABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000012119267 558330137 /nfs/dbraw/zinc/33/01/37/558330137.db2.gz QOFZDZAWONFNHJ-LJQANCHMSA-N 1 0 402.498 4.046 40 0 HIABRO Cc1cccc(N2CCN(C(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)CC2)c1C ZINC000020104169 558332827 /nfs/dbraw/zinc/33/28/27/558332827.db2.gz CGFKVPKANMHUDZ-HXUWFJFHSA-N 1 0 405.586 4.498 40 0 HIABRO COc1ccc(-c2ccc(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)cc2)cc1 ZINC000012185626 558344933 /nfs/dbraw/zinc/34/49/33/558344933.db2.gz MXHWQFJUKRSICD-GOSISDBHSA-N 1 0 405.494 4.474 40 0 HIABRO COc1ccc2nc(C[NH+]3CCC(NC(C)=O)(c4ccc(F)cc4)CC3)ccc2c1 ZINC000012219479 558354939 /nfs/dbraw/zinc/35/49/39/558354939.db2.gz UPIOJKCOQZUNSQ-UHFFFAOYSA-N 1 0 407.489 4.010 40 0 HIABRO COCCn1cc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012292814 558365910 /nfs/dbraw/zinc/36/59/10/558365910.db2.gz VSHXCAKCPWKSFB-UHFFFAOYSA-N 1 0 423.532 4.054 40 0 HIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC000012292889 558365924 /nfs/dbraw/zinc/36/59/24/558365924.db2.gz KMWVHKJZSXXECD-UHFFFAOYSA-N 1 0 420.488 4.035 40 0 HIABRO Cc1[nH]c2ccccc2c1[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1cc(C)ccc1O2 ZINC000012293212 558366250 /nfs/dbraw/zinc/36/62/50/558366250.db2.gz WSYWKFGNAAFGFH-FCHUYYIVSA-N 1 0 406.526 4.169 40 0 HIABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1C ZINC000012293531 558366745 /nfs/dbraw/zinc/36/67/45/558366745.db2.gz YHKAIALJSJAFNB-LEWJYISDSA-N 1 0 401.934 4.341 40 0 HIABRO Cc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(C)ccc1O2 ZINC000012329713 558384626 /nfs/dbraw/zinc/38/46/26/558384626.db2.gz QYCHIZVIFHVINK-DHIUTWEWSA-N 1 0 406.526 4.169 40 0 HIABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000012330111 558385095 /nfs/dbraw/zinc/38/50/95/558385095.db2.gz UQIAXZRLZAPTQX-WWPOYFSUSA-N 1 0 402.498 4.146 40 0 HIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039765994 558685829 /nfs/dbraw/zinc/68/58/29/558685829.db2.gz IGEXRNWKHLYJRX-IBGZPJMESA-N 1 0 424.004 4.462 40 0 HIABRO COC(=O)c1c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000039773166 558686604 /nfs/dbraw/zinc/68/66/04/558686604.db2.gz JNYCFWDXUIYLHA-UHFFFAOYSA-N 1 0 412.555 4.264 40 0 HIABRO CCN(CC)C(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039751262 558687048 /nfs/dbraw/zinc/68/70/48/558687048.db2.gz IVMKWWWHZWLKMW-UHFFFAOYSA-N 1 0 407.558 4.328 40 0 HIABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000035083525 558788220 /nfs/dbraw/zinc/78/82/20/558788220.db2.gz AZACNPZCGAGACO-IOMROCGXSA-N 1 0 409.014 4.363 40 0 HIABRO COc1ccc(C[NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 ZINC000036751909 558802490 /nfs/dbraw/zinc/80/24/90/558802490.db2.gz OHRMHGDSTRBEIB-JOCHJYFZSA-N 1 0 408.542 4.326 40 0 HIABRO COc1ccc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OCc1ccccn1 ZINC000036751975 558802742 /nfs/dbraw/zinc/80/27/42/558802742.db2.gz VOPWUBMBBOMTSN-QHCPKHFHSA-N 1 0 403.526 4.158 40 0 HIABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000019020519 558837704 /nfs/dbraw/zinc/83/77/04/558837704.db2.gz ULJFYSFQQHXRNY-RUZDIDTESA-N 1 0 407.558 4.492 40 0 HIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019081927 558839970 /nfs/dbraw/zinc/83/99/70/558839970.db2.gz GLEYODWIWYUORN-UTKZUKDTSA-N 1 0 401.501 4.475 40 0 HIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019133993 558845944 /nfs/dbraw/zinc/84/59/44/558845944.db2.gz SLWNWAFYIJVZJF-HXUWFJFHSA-N 1 0 417.557 4.301 40 0 HIABRO COc1cccc(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c1OC1CCCC1 ZINC000019216147 558850292 /nfs/dbraw/zinc/85/02/92/558850292.db2.gz OCWAAOYRZYWNQZ-BORKOYIJSA-N 1 0 422.569 4.450 40 0 HIABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019235969 558855155 /nfs/dbraw/zinc/85/51/55/558855155.db2.gz KGEIDOORYSNNFT-HXUWFJFHSA-N 1 0 417.557 4.301 40 0 HIABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1F ZINC000019292722 558864496 /nfs/dbraw/zinc/86/44/96/558864496.db2.gz SOXWDZIRXNEAJQ-QGZVFWFLSA-N 1 0 424.499 4.125 40 0 HIABRO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000019372288 558879583 /nfs/dbraw/zinc/87/95/83/558879583.db2.gz WXOIJIIRGDMJAO-VABKMULXSA-N 1 0 403.551 4.273 40 0 HIABRO O=C(c1ccncc1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019404994 558884703 /nfs/dbraw/zinc/88/47/03/558884703.db2.gz RSDHDHLZBHUFPQ-NJDAHSKKSA-N 1 0 409.580 4.335 40 0 HIABRO CC(C)n1c(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)nc2ccccc21 ZINC000019454753 558891501 /nfs/dbraw/zinc/89/15/01/558891501.db2.gz OAKKZPUGEBTGSX-UQBPGWFLSA-N 1 0 417.557 4.041 40 0 HIABRO C[C@@H](C[NH+]1CCC([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1)c1ccccc1 ZINC000019456075 558891860 /nfs/dbraw/zinc/89/18/60/558891860.db2.gz VUFBHDOSMCVXAB-NBGIEHNGSA-N 1 0 414.553 4.463 40 0 HIABRO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)ccc2O1 ZINC000019498013 558896736 /nfs/dbraw/zinc/89/67/36/558896736.db2.gz LPJCWKWWKSWTOG-FOIQADDNSA-N 1 0 421.459 4.046 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502845 558900115 /nfs/dbraw/zinc/90/01/15/558900115.db2.gz AKONHJNUXMJXGM-VWLOTQADSA-N 1 0 414.553 4.057 40 0 HIABRO CCn1cc([C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)c2ccc(F)cc2)c2ccncc21 ZINC000019524836 558906122 /nfs/dbraw/zinc/90/61/22/558906122.db2.gz BOQPWNZUCKYQNT-XZOQPEGZSA-N 1 0 402.473 4.101 40 0 HIABRO CCN(CC)c1cc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)nc(-c2cnccn2)n1 ZINC000019526486 558907756 /nfs/dbraw/zinc/90/77/56/558907756.db2.gz PAIAJKRYUUNCFQ-IBGZPJMESA-N 1 0 406.578 4.316 40 0 HIABRO COc1ccc(OC)c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccs2)c1 ZINC000019552636 558915999 /nfs/dbraw/zinc/91/59/99/558915999.db2.gz YBIMKONMZDJJSP-LEWJYISDSA-N 1 0 422.550 4.163 40 0 HIABRO COc1ccc2nc(C[N@@H+]3CCC[C@@H](c4nnc(-c5scnc5C)o4)C3)ccc2c1 ZINC000019562783 558923295 /nfs/dbraw/zinc/92/32/95/558923295.db2.gz GAOFFIRGSUMWDP-MRXNPFEDSA-N 1 0 421.526 4.438 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(C(=O)Nc3ccccc3OC)on2)C1 ZINC000019570320 558929311 /nfs/dbraw/zinc/92/93/11/558929311.db2.gz CCMPNJXFOSSVIW-KRWDZBQOSA-N 1 0 421.497 4.324 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(C(=O)NCc3cccc(F)c3)on2)C1 ZINC000019570306 558929343 /nfs/dbraw/zinc/92/93/43/558929343.db2.gz DWCZWNPJNAPJCU-SFHVURJKSA-N 1 0 423.488 4.132 40 0 HIABRO C[NH+]1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2N)CC1 ZINC000072229162 558931870 /nfs/dbraw/zinc/93/18/70/558931870.db2.gz LDDYKQADRCKEFN-UHFFFAOYSA-N 1 0 400.954 4.224 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c(C)c1C ZINC000019577361 558933118 /nfs/dbraw/zinc/93/31/18/558933118.db2.gz MLPWOQZMYHRBSS-MRXNPFEDSA-N 1 0 401.461 4.067 40 0 HIABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 ZINC000019577461 558933243 /nfs/dbraw/zinc/93/32/43/558933243.db2.gz XMOFEAGSMVCUAW-QGZVFWFLSA-N 1 0 411.575 4.272 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019580441 558935993 /nfs/dbraw/zinc/93/59/93/558935993.db2.gz GBWRPYYAFQUIMU-XMMPIXPASA-N 1 0 405.567 4.333 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)c1 ZINC000072340870 558939350 /nfs/dbraw/zinc/93/93/50/558939350.db2.gz IUOCMFMMJZJORJ-MRXNPFEDSA-N 1 0 404.436 4.445 40 0 HIABRO COc1cc(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000019595062 558945894 /nfs/dbraw/zinc/94/58/94/558945894.db2.gz LUJCZWCLMTUYML-LOSJGSFVSA-N 1 0 422.500 4.423 40 0 HIABRO COc1ccccc1CN(Cc1cnn(-c2ccc(C)cc2)c1)C1CC[NH+](C)CC1 ZINC000019664431 558954795 /nfs/dbraw/zinc/95/47/95/558954795.db2.gz SGFIAIJEUBTQKQ-UHFFFAOYSA-N 1 0 404.558 4.286 40 0 HIABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1cccnc1NC ZINC000072370486 558956846 /nfs/dbraw/zinc/95/68/46/558956846.db2.gz TVARJJHKQSOLMM-KRWDZBQOSA-N 1 0 408.571 4.295 40 0 HIABRO CCc1ncc(C[N@@H+]2CCC[C@H](Cc3cc(Nc4ncc(C)s4)nc(C)n3)C2)cn1 ZINC000072383464 558969177 /nfs/dbraw/zinc/96/91/77/558969177.db2.gz GSOOVZVBWJUDTL-QGZVFWFLSA-N 1 0 423.590 4.101 40 0 HIABRO CCOc1ccc(C[NH+]2CCC(c3nnsc3-c3cc(C)no3)CC2)cc1OC ZINC000072392660 558972429 /nfs/dbraw/zinc/97/24/29/558972429.db2.gz BHOWPEOHNUXRKX-UHFFFAOYSA-N 1 0 414.531 4.288 40 0 HIABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)OCO2 ZINC000072398610 558976003 /nfs/dbraw/zinc/97/60/03/558976003.db2.gz RYMUHRDIRPYMPK-MBSDFSHPSA-N 1 0 423.557 4.234 40 0 HIABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000072398651 558976238 /nfs/dbraw/zinc/97/62/38/558976238.db2.gz AZGMSVIINPKKRZ-MBSDFSHPSA-N 1 0 422.479 4.138 40 0 HIABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000585099883 559024521 /nfs/dbraw/zinc/02/45/21/559024521.db2.gz QFLDCSZPPBJGCV-JOCHJYFZSA-N 1 0 403.473 4.117 40 0 HIABRO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585102305 559026141 /nfs/dbraw/zinc/02/61/41/559026141.db2.gz WSCVTLVYWMQCQY-UKILVPOCSA-N 1 0 406.526 4.338 40 0 HIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000585106805 559029159 /nfs/dbraw/zinc/02/91/59/559029159.db2.gz IKMPFNSBQCHFOK-XMMPIXPASA-N 1 0 420.582 4.467 40 0 HIABRO COc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc2O3)cc1 ZINC000096053159 559093133 /nfs/dbraw/zinc/09/31/33/559093133.db2.gz UAYOOWIPJJWMOM-HXUWFJFHSA-N 1 0 408.542 4.074 40 0 HIABRO C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CCN(Cc1ccc(Cl)c(F)c1)CC2 ZINC000096220895 559102026 /nfs/dbraw/zinc/10/20/26/559102026.db2.gz TZGLNCZXRXSJNU-LJQANCHMSA-N 1 0 403.929 4.130 40 0 HIABRO Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCC[N@@H+](C)CC5)cc43)co2)cc1 ZINC000096266489 559107747 /nfs/dbraw/zinc/10/77/47/559107747.db2.gz PGYHYYXLZPHJGV-UHFFFAOYSA-N 1 0 416.481 4.236 40 0 HIABRO CC(=O)Nc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1 ZINC000585270076 559116281 /nfs/dbraw/zinc/11/62/81/559116281.db2.gz DQBJYCGRDPYYNO-UHFFFAOYSA-N 1 0 416.949 4.321 40 0 HIABRO CCOCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585271771 559117915 /nfs/dbraw/zinc/11/79/15/559117915.db2.gz HILAKIOQOGUNOG-UHFFFAOYSA-N 1 0 413.558 4.125 40 0 HIABRO COc1ccccc1C[NH+]1CCC(Cc2cccc(-c3ccncc3)c2)(C(N)=O)CC1 ZINC000257341178 559283473 /nfs/dbraw/zinc/28/34/73/559283473.db2.gz ZJDDUROGTRLTSB-UHFFFAOYSA-N 1 0 415.537 4.067 40 0 HIABRO COCCOc1cc(C[N@H+](Cc2ccccc2)Cc2ccccc2CO)ccc1OC ZINC000257228043 559283784 /nfs/dbraw/zinc/28/37/84/559283784.db2.gz FSBDJKSFGCZQMJ-UHFFFAOYSA-N 1 0 421.537 4.415 40 0 HIABRO C[C@@]1(O)CC[N@H+](Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290390 560029315 /nfs/dbraw/zinc/02/93/15/560029315.db2.gz ZYKFRILIQDQGLG-KYPHJKQUSA-N 1 0 418.512 4.322 40 0 biogenic,in-vitro HIABRO O[C@@H]1[C@@H](Sc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000020463734 560092925 /nfs/dbraw/zinc/09/29/25/560092925.db2.gz FQPQNNAHXRGPHS-NHTNDUFYSA-N 1 0 419.546 4.089 40 0 biogenic,in-vitro HIABRO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 ZINC000000885094 560540705 /nfs/dbraw/zinc/54/07/05/560540705.db2.gz XUBXIFGWQGTINB-UHFFFAOYSA-N 1 0 422.598 4.214 40 0 HIABRO CC[C@@H](C)NC(=S)N(CCC[NH+](CC)CC)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004161945 560602068 /nfs/dbraw/zinc/60/20/68/560602068.db2.gz OQJNNTNVQDIZMV-GOSISDBHSA-N 1 0 416.635 4.043 40 0 HIABRO Cc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000004895246 560611072 /nfs/dbraw/zinc/61/10/72/560611072.db2.gz ZTBRHJZWPCCHEK-UHFFFAOYSA-N 1 0 417.435 4.034 40 0 HIABRO CCc1c(C)sc(NC(=O)C[NH2+]CC(c2ccccc2)c2ccccc2)c1C(N)=O ZINC000005000600 560619803 /nfs/dbraw/zinc/61/98/03/560619803.db2.gz RCAQKAPWMYKJAD-UHFFFAOYSA-N 1 0 421.566 4.078 40 0 HIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=O)Nc3ccccc3)cc2c1 ZINC000012706598 560786183 /nfs/dbraw/zinc/78/61/83/560786183.db2.gz VAXBANCVPPCSDK-UHFFFAOYSA-N 1 0 420.557 4.466 40 0 HIABRO C[C@@H]1C[C@@H](C)C[NH+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000013563118 560816133 /nfs/dbraw/zinc/81/61/33/560816133.db2.gz IIPMXTZHHFWNLN-IAGOWNOFSA-N 1 0 419.525 4.394 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccc(-n3ccnc3C)cc2)C[C@H]2CCCO2)cc1OC ZINC000013994219 560831638 /nfs/dbraw/zinc/83/16/38/560831638.db2.gz NISYBYUUGVRKHY-HSZRJFAPSA-N 1 0 421.541 4.379 40 0 HIABRO Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020121803 560880839 /nfs/dbraw/zinc/88/08/39/560880839.db2.gz GWPDQGVMVKKXPX-NRFANRHFSA-N 1 0 414.985 4.091 40 0 HIABRO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000219413504 568491558 /nfs/dbraw/zinc/49/15/58/568491558.db2.gz PQFOQHGPOGXIHH-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO Cc1cccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)n2)c1 ZINC000219964054 568500546 /nfs/dbraw/zinc/50/05/46/568500546.db2.gz DSSXYCVYNGWUQN-UHFFFAOYSA-N 1 0 404.514 4.351 40 0 HIABRO C[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000222716252 568524594 /nfs/dbraw/zinc/52/45/94/568524594.db2.gz TXHTUAJQCJWGDA-INIZCTEOSA-N 1 0 414.933 4.201 40 0 HIABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccco1 ZINC000223334887 568545611 /nfs/dbraw/zinc/54/56/11/568545611.db2.gz HFHLWXHBFRKOKS-LEWJYISDSA-N 1 0 401.495 4.033 40 0 HIABRO O=C(NCCOCc1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223415563 568548184 /nfs/dbraw/zinc/54/81/84/568548184.db2.gz GCPVZWUQEJQFKE-UHFFFAOYSA-N 1 0 400.522 4.192 40 0 HIABRO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000224094760 568569624 /nfs/dbraw/zinc/56/96/24/568569624.db2.gz JSPSPPDLFFKFKO-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3nnc(SCC(C)C)s3)CC2)cc1 ZINC000225077822 568612827 /nfs/dbraw/zinc/61/28/27/568612827.db2.gz VJKMMOBWYFUQOC-UHFFFAOYSA-N 1 0 404.605 4.445 40 0 HIABRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1 ZINC000225561184 568651207 /nfs/dbraw/zinc/65/12/07/568651207.db2.gz YRXMMOIFFXFNGN-UHFFFAOYSA-N 1 0 422.569 4.484 40 0 HIABRO CCOC(=O)c1cc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1Cl ZINC000225730393 568668756 /nfs/dbraw/zinc/66/87/56/568668756.db2.gz MNHDCFWETXPUAP-HUUCEWRRSA-N 1 0 411.999 4.171 40 0 HIABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCCC[C@H]2CC)cc1Cl ZINC000260740020 568737262 /nfs/dbraw/zinc/73/72/62/568737262.db2.gz RRBVCTPOYJILOO-MRXNPFEDSA-N 1 0 411.999 4.458 40 0 HIABRO C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000257222844 568782657 /nfs/dbraw/zinc/78/26/57/568782657.db2.gz DUWJRYCANXSYIO-GOSISDBHSA-N 1 0 420.582 4.068 40 0 HIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257228334 568784543 /nfs/dbraw/zinc/78/45/43/568784543.db2.gz FTKZRPPRXJDIET-HSZRJFAPSA-N 1 0 423.605 4.275 40 0 HIABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cccnc4N)C3)c2)cc1 ZINC000257230621 568785088 /nfs/dbraw/zinc/78/50/88/568785088.db2.gz GDCWXPWAYWJIOK-GOSISDBHSA-N 1 0 401.514 4.439 40 0 HIABRO CN(C)c1cc([C@H]2CCCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)ccn1 ZINC000257247177 568789455 /nfs/dbraw/zinc/78/94/55/568789455.db2.gz IXUQWYYKYHMDPP-QHCPKHFHSA-N 1 0 420.601 4.156 40 0 HIABRO Cc1cnc(C(=O)N2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)cn1 ZINC000257253684 568791385 /nfs/dbraw/zinc/79/13/85/568791385.db2.gz JZVVDXVLJNSEBL-KRWDZBQOSA-N 1 0 405.477 4.391 40 0 HIABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)COc1ccccc1)[C@@H]2Cc1ccccc1 ZINC000257282807 568799449 /nfs/dbraw/zinc/79/94/49/568799449.db2.gz OVJQPOTUYGFTDK-XPICPDFBSA-N 1 0 404.554 4.150 40 0 HIABRO CC(=O)c1ccccc1OC[C@@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000027228784 568866305 /nfs/dbraw/zinc/86/63/05/568866305.db2.gz OHPSWRGGGLYOPS-DEOSSOPVSA-N 1 0 403.522 4.374 40 0 HIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306126599 568889406 /nfs/dbraw/zinc/88/94/06/568889406.db2.gz DZXGMSLVMPESSW-FQEVSTJZSA-N 1 0 404.493 4.131 40 0 HIABRO CCn1cc(C[NH+]2CCC3(CC2)Oc2ccccc2-c2ncn(CC(C)C)c23)cn1 ZINC000306127905 568890723 /nfs/dbraw/zinc/89/07/23/568890723.db2.gz GKKPXKXFYBKYSF-UHFFFAOYSA-N 1 0 405.546 4.306 40 0 HIABRO Cc1nc2c(n1C(C)C)CN(Cc1cccc(C)n1)CC21CC[NH+](CC(C)C)CC1 ZINC000306128778 568891673 /nfs/dbraw/zinc/89/16/73/568891673.db2.gz HKFUEZVGARNNJG-UHFFFAOYSA-N 1 0 409.622 4.481 40 0 HIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccoc5)C4)nn3c2)c1OC ZINC000306138676 568900544 /nfs/dbraw/zinc/90/05/44/568900544.db2.gz SEAHFJSIQFKRQE-IBGZPJMESA-N 1 0 418.497 4.386 40 0 HIABRO Cc1ccsc1C[NH+]1CCC2(CC1)c1ccccc1N(CC(C)C)S2(=O)=O ZINC000306142984 568904491 /nfs/dbraw/zinc/90/44/91/568904491.db2.gz XPVGHSPWWWKUGN-UHFFFAOYSA-N 1 0 404.601 4.354 40 0 HIABRO Cc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144383 568905931 /nfs/dbraw/zinc/90/59/31/568905931.db2.gz ZDSRTJYVWFOHFL-RCZVLFRGSA-N 1 0 406.574 4.001 40 0 HIABRO CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](c1ccc(C(F)(F)F)cc1)[NH2+]2 ZINC000306145331 568906516 /nfs/dbraw/zinc/90/65/16/568906516.db2.gz BPQFVOXIUDDJPT-INIZCTEOSA-N 1 0 400.441 4.136 40 0 HIABRO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000328993747 568971791 /nfs/dbraw/zinc/97/17/91/568971791.db2.gz JAYYOHVVIHCVBX-UHFFFAOYSA-N 1 0 409.965 4.365 40 0 HIABRO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000329049539 568974609 /nfs/dbraw/zinc/97/46/09/568974609.db2.gz UPQKLAXFENSLAA-UHFFFAOYSA-N 1 0 415.463 4.032 40 0 HIABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000033857395 569027752 /nfs/dbraw/zinc/02/77/52/569027752.db2.gz XPZYNXNJVXSWRE-TWHAJKEOSA-N 1 0 409.014 4.300 40 0 HIABRO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4ccccc4C)CC3)CC2)c1C ZINC000009062982 569342287 /nfs/dbraw/zinc/34/22/87/569342287.db2.gz PSNWQWHRYNOOJJ-UHFFFAOYSA-N 1 0 405.586 4.173 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)n1 ZINC000019236209 569345287 /nfs/dbraw/zinc/34/52/87/569345287.db2.gz KMNUVGFFIYVUJY-XMSQKQJNSA-N 1 0 406.555 4.230 40 0 HIABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1 ZINC000019450860 569345494 /nfs/dbraw/zinc/34/54/94/569345494.db2.gz BJRBZQWKHCRGEZ-ZJSXRUAMSA-N 1 0 407.558 4.348 40 0 HIABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3cccnc3)CC2)sc1COc1ccccc1 ZINC000019695888 569346749 /nfs/dbraw/zinc/34/67/49/569346749.db2.gz MWEVYXHIBQRGRO-HSZRJFAPSA-N 1 0 409.555 4.299 40 0 HIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cc4nc(C)cc(C)n4n3)cc2)C1 ZINC000019711836 569348183 /nfs/dbraw/zinc/34/81/83/569348183.db2.gz LVEFTOOOXJBVLG-IRLDBZIGSA-N 1 0 421.545 4.160 40 0 HIABRO CN(C)c1ncccc1C[N@@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713422 569348363 /nfs/dbraw/zinc/34/83/63/569348363.db2.gz HUNVUZCQHUTFIE-RCZVLFRGSA-N 1 0 424.564 4.223 40 0 HIABRO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@@H+]2Cc2cccc3cccnc32)cc1 ZINC000019713933 569348488 /nfs/dbraw/zinc/34/84/88/569348488.db2.gz QCOKLXYHYJXIBV-YTFSRNRJSA-N 1 0 401.510 4.228 40 0 HIABRO COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908469 569352041 /nfs/dbraw/zinc/35/20/41/569352041.db2.gz LCTBWTLRTGOEFU-HKUYNNGSSA-N 1 0 416.949 4.144 40 0 HIABRO COc1ccc(CC(=O)N2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)cc1 ZINC000019713440 569429006 /nfs/dbraw/zinc/42/90/06/569429006.db2.gz LVZJFYHQHHFHAS-CWDLOFLHSA-N 1 0 406.570 4.372 40 0 HIABRO CC(C)c1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329069073 571306427 /nfs/dbraw/zinc/30/64/27/571306427.db2.gz YUNYNEMETZNTDR-UHFFFAOYSA-N 1 0 416.569 5.002 40 0 HIABRO O=C1CS[C@H](c2ccc3c(c2)OCO3)N1CCCCCC[NH2+]C1CCCCC1 ZINC000095870561 852547320 /nfs/dbraw/zinc/54/73/20/852547320.db2.gz CNDNKSZTIFNYOP-JOCHJYFZSA-N 1 0 404.576 4.472 40 0 HIABRO CC1=C[C@@H](C[NH2+][C@H]2CC[C@H](CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000100039089 291262643 /nfs/dbraw/zinc/26/26/43/291262643.db2.gz LRXHHWFZZNOXNK-KGWSWXIGSA-N 1 0 410.606 4.496 40 0 biogenic,in-vitro HIABRO Cn1nc(-c2cccs2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1 ZINC000008635429 291269066 /nfs/dbraw/zinc/26/90/66/291269066.db2.gz RRMAZGBTVGYUFE-OTWHNJEPSA-N 1 0 412.603 4.023 40 0 biogenic,in-vitro HIABRO COc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000044851792 523937583 /nfs/dbraw/zinc/93/75/83/523937583.db2.gz IQKCOZUJHRXSSI-LJQANCHMSA-N 1 0 410.558 4.298 40 0 HIABRO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044852559 525304765 /nfs/dbraw/zinc/30/47/65/525304765.db2.gz QTLJBSPMJVFWFT-GOSISDBHSA-N 1 0 400.950 4.444 40 0 HIABRO O=C(NCCSCc1ccccc1F)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044909076 526373471 /nfs/dbraw/zinc/37/34/71/526373471.db2.gz ZKYLJTDRVZJPFD-GOSISDBHSA-N 1 0 404.526 4.226 40 0 HIABRO CC(=O)Nc1ccc(OCC[N@@H+]2CCc3nc(-c4ccccc4F)sc3C2)cc1 ZINC000019719926 558258499 /nfs/dbraw/zinc/25/84/99/558258499.db2.gz MUZZMKMRPZNNCR-UHFFFAOYSA-N 1 0 411.502 4.345 40 0 HIABRO CCCn1ncc2ccc([C@@H]3CCC[N@H+](Cc4c(C)nc5cc(C)ccn54)C3)nc21 ZINC000019742500 558262951 /nfs/dbraw/zinc/26/29/51/558262951.db2.gz LHSUSQIYFLWZBI-HXUWFJFHSA-N 1 0 402.546 4.485 40 0 HIABRO COc1ccccc1CNC(=O)c1cnc(C2CC[NH+](C3CCCCC3)CC2)nc1C ZINC000019766597 558278775 /nfs/dbraw/zinc/27/87/75/558278775.db2.gz GVZULBUUFOUINN-UHFFFAOYSA-N 1 0 422.573 4.236 40 0 HIABRO Cc1cc(C)n(-c2cccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)c2)n1 ZINC000012089053 558323577 /nfs/dbraw/zinc/32/35/77/558323577.db2.gz SMBKMDWPJYTCLY-HCGNOCCLSA-N 1 0 402.542 4.004 40 0 HIABRO Cc1nc(-c2ccc(C)c(C)c2)c(CC(=O)N(CC[NH+](C)C)Cc2cccnc2)s1 ZINC000012223138 558356550 /nfs/dbraw/zinc/35/65/50/558356550.db2.gz GGOBTQKQLJVBOH-UHFFFAOYSA-N 1 0 422.598 4.263 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(Cl)c(Cl)c1 ZINC000012293625 558366699 /nfs/dbraw/zinc/36/66/99/558366699.db2.gz OEJXEPKENSVLMR-MOPGFXCFSA-N 1 0 408.325 4.378 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2ccccc2c1 ZINC000012293606 558366749 /nfs/dbraw/zinc/36/67/49/558366749.db2.gz QMYBZWVMAPMUMF-PKTZIBPZSA-N 1 0 407.485 4.363 40 0 HIABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330167 558385174 /nfs/dbraw/zinc/38/51/74/558385174.db2.gz RFZPPCQGGIFNDP-DNQXCXABSA-N 1 0 407.554 4.176 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330187 558385205 /nfs/dbraw/zinc/38/52/05/558385205.db2.gz UCIUUMCCNCAHBU-FGZHOGPDSA-N 1 0 413.945 4.213 40 0 HIABRO CCOc1cc(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c(C)cc1OC ZINC000012344632 558386570 /nfs/dbraw/zinc/38/65/70/558386570.db2.gz ZFGMFXOIVRNMHK-UHFFFAOYSA-N 1 0 414.521 4.169 40 0 HIABRO CN1CC[NH+](CCCN2c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@@H]32)CC1 ZINC000022027788 558458973 /nfs/dbraw/zinc/45/89/73/558458973.db2.gz RQVPJKVPRLTSPS-ICSRJNTNSA-N 1 0 409.521 4.032 40 0 HIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cnn(Cc2ccccc2)c1C)Cc1cccnc1 ZINC000022913676 558520515 /nfs/dbraw/zinc/52/05/15/558520515.db2.gz TZEGOVONKRRQBS-VWLOTQADSA-N 1 0 403.574 4.121 40 0 HIABRO CC(=O)OC[C@H](O)[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026896800 558666412 /nfs/dbraw/zinc/66/64/12/558666412.db2.gz CMZNZNSAXHGUBS-UIOOFZCWSA-N 1 0 403.522 4.224 40 0 HIABRO COc1cc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(OC)cc1Cl ZINC000039762761 558685540 /nfs/dbraw/zinc/68/55/40/558685540.db2.gz GKOVVAZZAPRFDC-UHFFFAOYSA-N 1 0 406.885 4.347 40 0 HIABRO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039762275 558685577 /nfs/dbraw/zinc/68/55/77/558685577.db2.gz UBHSTQAKNBUKKJ-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039772919 558686306 /nfs/dbraw/zinc/68/63/06/558686306.db2.gz DRAGBUNNBHGPLD-KRWDZBQOSA-N 1 0 416.949 4.144 40 0 HIABRO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039754966 558687462 /nfs/dbraw/zinc/68/74/62/558687462.db2.gz ISOIEARSOQWUAE-UHFFFAOYSA-N 1 0 400.563 4.396 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSCc2ccccc2F)CC1 ZINC000039755896 558687618 /nfs/dbraw/zinc/68/76/18/558687618.db2.gz JYDMYYPZXQAZQP-UHFFFAOYSA-N 1 0 400.563 4.396 40 0 HIABRO O=C([C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851323 558818774 /nfs/dbraw/zinc/81/87/74/558818774.db2.gz WAKLLUOEXDEBIT-IBGZPJMESA-N 1 0 415.940 4.040 40 0 HIABRO O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019014820 558837016 /nfs/dbraw/zinc/83/70/16/558837016.db2.gz RJAQBXNKDSSRSC-SIKLNZKXSA-N 1 0 424.589 4.140 40 0 HIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019081857 558839758 /nfs/dbraw/zinc/83/97/58/558839758.db2.gz QEPXLMUAVBMRPA-UTKZUKDTSA-N 1 0 401.501 4.475 40 0 HIABRO COc1ccccc1C[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c2nccs2)CC1 ZINC000019082100 558839997 /nfs/dbraw/zinc/83/99/97/558839997.db2.gz KIJYBZUVSISRSH-LJQANCHMSA-N 1 0 401.576 4.267 40 0 HIABRO CC(C)(C)c1oc(C(=O)N2CCC(Oc3cccnc3)CC2)cc1C[NH+]1CCCC1 ZINC000019083516 558840609 /nfs/dbraw/zinc/84/06/09/558840609.db2.gz HORPSGSEZCOHHE-UHFFFAOYSA-N 1 0 411.546 4.252 40 0 HIABRO Cc1nc(C[C@@H]([NH2+]Cc2ccccc2N2CCCC2)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285352 558859731 /nfs/dbraw/zinc/85/97/31/558859731.db2.gz MJHXYEMSMJGZIF-JOCHJYFZSA-N 1 0 422.960 4.406 40 0 HIABRO COc1cccc2cc(C[NH2+][C@@H](Cc3cc(=O)[nH]c(C)n3)c3ccc(F)cc3)oc21 ZINC000019285394 558859827 /nfs/dbraw/zinc/85/98/27/558859827.db2.gz RMTCRXIYRCLZKC-FQEVSTJZSA-N 1 0 407.445 4.046 40 0 HIABRO O=c1c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2Cc2ccccc2)coc2ccc(Cl)cc12 ZINC000019372757 558880147 /nfs/dbraw/zinc/88/01/47/558880147.db2.gz HNYWRBYICFROKY-LEWJYISDSA-N 1 0 408.929 4.338 40 0 HIABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449562 558887981 /nfs/dbraw/zinc/88/79/81/558887981.db2.gz DIFDWATWECZTGV-AREMUKBSSA-N 1 0 414.553 4.103 40 0 HIABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)no2)CC1 ZINC000019496767 558895660 /nfs/dbraw/zinc/89/56/60/558895660.db2.gz RVUXDTQWNKYWAK-FQEVSTJZSA-N 1 0 418.541 4.475 40 0 HIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cnc(-c2ccc(OC)cc2)nc1)Cc1ccccn1 ZINC000019527178 558908211 /nfs/dbraw/zinc/90/82/11/558908211.db2.gz SSZNSKWADYFNFA-QHCPKHFHSA-N 1 0 417.557 4.034 40 0 HIABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019528740 558910034 /nfs/dbraw/zinc/91/00/34/558910034.db2.gz WBKQLPCRLJOWOG-RUZDIDTESA-N 1 0 418.541 4.006 40 0 HIABRO CCOc1cc(C[NH+]2CCC3(CC2)OCCc2cnc(C(C)C)nc23)ccc1OC ZINC000019531952 558912239 /nfs/dbraw/zinc/91/22/39/558912239.db2.gz BZRJQKNQHSUEAY-UHFFFAOYSA-N 1 0 411.546 4.071 40 0 HIABRO CCOc1ccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)cc1 ZINC000019533203 558913062 /nfs/dbraw/zinc/91/30/62/558913062.db2.gz WVILCQFFPOQLGV-UHFFFAOYSA-N 1 0 410.562 4.204 40 0 HIABRO CCOc1ccc(C[NH+]2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1OC ZINC000019533777 558913347 /nfs/dbraw/zinc/91/33/47/558913347.db2.gz CLDPUDKZUXJTCS-UHFFFAOYSA-N 1 0 411.546 4.071 40 0 HIABRO Cc1nc(C2=CC[N@H+](Cc3cccc4ccccc43)CC2)nc(N2CCOCC2)c1C ZINC000019555256 558918213 /nfs/dbraw/zinc/91/82/13/558918213.db2.gz RGXOCTNACLGEIR-UHFFFAOYSA-N 1 0 414.553 4.373 40 0 HIABRO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4cccnc4)C[C@@H]32)cc1 ZINC000019557774 558919542 /nfs/dbraw/zinc/91/95/42/558919542.db2.gz NWDDTQJZWRHGEK-UBFVSLLYSA-N 1 0 419.569 4.097 40 0 HIABRO COc1cccc(C[NH+]2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)c1OC ZINC000019567686 558926668 /nfs/dbraw/zinc/92/66/68/558926668.db2.gz FQGTZUFYDMLHBG-UHFFFAOYSA-N 1 0 411.527 4.308 40 0 HIABRO COc1ccccc1C[NH+]1CCC(c2cc(C(=O)NCc3cccs3)on2)CC1 ZINC000019570152 558928883 /nfs/dbraw/zinc/92/88/83/558928883.db2.gz ODKKBIMEDXUFKJ-UHFFFAOYSA-N 1 0 411.527 4.054 40 0 HIABRO Cc1cc(C)n(CCCC(=O)NC2CC[NH+](CC3(c4ccccc4)CCCC3)CC2)n1 ZINC000019574176 558931804 /nfs/dbraw/zinc/93/18/04/558931804.db2.gz LPQNUKZDCZUPII-UHFFFAOYSA-N 1 0 422.617 4.373 40 0 HIABRO CCn1cncc1C[N@@H+]1CCC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019578645 558934327 /nfs/dbraw/zinc/93/43/27/558934327.db2.gz KHBRGYIUYHYGNJ-HNNXBMFYSA-N 1 0 420.483 4.468 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C2CCCC2)c2ccccn2)C1 ZINC000072330391 558934490 /nfs/dbraw/zinc/93/44/90/558934490.db2.gz MPHKBFGYGUEKOQ-QPPBQGQZSA-N 1 0 407.558 4.350 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)n1 ZINC000072330492 558934816 /nfs/dbraw/zinc/93/48/16/558934816.db2.gz KGXLHKJEJKZVDI-BWKNWUBXSA-N 1 0 414.553 4.477 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c1F ZINC000072330569 558935053 /nfs/dbraw/zinc/93/50/53/558935053.db2.gz OPOBWJKZYGNXNO-XXBNENTESA-N 1 0 411.521 4.099 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019580260 558935846 /nfs/dbraw/zinc/93/58/46/558935846.db2.gz LODUAYKWXNVOIO-SANMLTNESA-N 1 0 404.554 4.023 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000019580347 558936057 /nfs/dbraw/zinc/93/60/57/558936057.db2.gz NMLXVXWVIPEQAC-SANMLTNESA-N 1 0 417.528 4.411 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019580519 558936224 /nfs/dbraw/zinc/93/62/24/558936224.db2.gz ZZZGSWUPWHEYCA-DEOSSOPVSA-N 1 0 405.567 4.333 40 0 HIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)c2)cn1 ZINC000072353595 558950644 /nfs/dbraw/zinc/95/06/44/558950644.db2.gz NVICEKOGOUCCCC-JOCHJYFZSA-N 1 0 414.553 4.234 40 0 HIABRO COc1ccccc1Cc1cc(C)nc([C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)c1 ZINC000072353983 558951265 /nfs/dbraw/zinc/95/12/65/558951265.db2.gz XBRWMMJBYAEXPO-QFIPXVFZSA-N 1 0 404.558 4.411 40 0 HIABRO Cn1cc(C[NH+]2CCC(c3ccc(-c4cnc(N)nc4)cn3)CC2)c2cc(F)ccc21 ZINC000019688083 558957593 /nfs/dbraw/zinc/95/75/93/558957593.db2.gz PYIGFCJEVBZYCV-UHFFFAOYSA-N 1 0 416.504 4.131 40 0 HIABRO CCn1ncc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3cccc(F)c3)CC2)c1C ZINC000019695287 558963922 /nfs/dbraw/zinc/96/39/22/558963922.db2.gz IHISXHDEPIMEJN-UHFFFAOYSA-N 1 0 422.552 4.253 40 0 HIABRO COc1ccc(CC[NH+]2CCC(c3cccc(Nc4nnc(C)s4)n3)CC2)cc1 ZINC000072376148 558965297 /nfs/dbraw/zinc/96/52/97/558965297.db2.gz PDSYAKSLINRTRS-UHFFFAOYSA-N 1 0 409.559 4.416 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ccc(C)cn4)n3)C2)cc1 ZINC000072378010 558967326 /nfs/dbraw/zinc/96/73/26/558967326.db2.gz UCCKVKPDJVKPBL-HXUWFJFHSA-N 1 0 416.529 4.262 40 0 HIABRO CCOc1cc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)ccc1OC ZINC000072392848 558972317 /nfs/dbraw/zinc/97/23/17/558972317.db2.gz IQHHWQUKEFXRHW-UHFFFAOYSA-N 1 0 420.513 4.031 40 0 HIABRO CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@H+](C)CCOc2ccc(C)cc2)C1 ZINC000072395269 558974049 /nfs/dbraw/zinc/97/40/49/558974049.db2.gz LXHHXDUNLKMQAL-FQEVSTJZSA-N 1 0 420.557 4.108 40 0 HIABRO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](Cc2ccc4c(c2)CCC4)CC3)cs1 ZINC000585100794 559025447 /nfs/dbraw/zinc/02/54/47/559025447.db2.gz WTRQGGMHTGOWKS-DEOSSOPVSA-N 1 0 409.599 4.488 40 0 HIABRO COc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CC[C@H]32)c1 ZINC000585108016 559029664 /nfs/dbraw/zinc/02/96/64/559029664.db2.gz VQXUBBLJQLLBSV-XSEFMFLKSA-N 1 0 410.945 4.185 40 0 HIABRO O=S(=O)(c1ccccc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000096071292 559094346 /nfs/dbraw/zinc/09/43/46/559094346.db2.gz WHBMLVSIULOTLK-OAQYLSRUSA-N 1 0 404.963 4.159 40 0 HIABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3cccnc3)CC1)nc2-c1cnn(C)c1 ZINC000096155667 559099898 /nfs/dbraw/zinc/09/98/98/559099898.db2.gz BTMBTGFZPNKOEL-UHFFFAOYSA-N 1 0 415.545 4.187 40 0 HIABRO C[C@@H]1CC[C@@H]2[C@@H](O1)c1ccc(C(=O)NCCC[NH+]3CCCCC3)c(O)c1OC2(C)C ZINC000585267326 559112635 /nfs/dbraw/zinc/11/26/35/559112635.db2.gz YLNFZEDMENYIKR-BSIFCXSSSA-N 1 0 416.562 4.025 40 0 HIABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216427 559169526 /nfs/dbraw/zinc/16/95/26/559169526.db2.gz OCXYLVNSLPICBI-FQEVSTJZSA-N 1 0 402.583 4.466 40 0 HIABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216424 559169540 /nfs/dbraw/zinc/16/95/40/559169540.db2.gz GMERJXONBTURRL-HXUWFJFHSA-N 1 0 402.583 4.322 40 0 HIABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216486 559169587 /nfs/dbraw/zinc/16/95/87/559169587.db2.gz YSIUVKQKZLWYFZ-HXUWFJFHSA-N 1 0 402.583 4.466 40 0 HIABRO Fc1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccc4nccnc4c3)[nH]n2)cc1 ZINC000072378343 559186808 /nfs/dbraw/zinc/18/68/08/559186808.db2.gz HESROBBPNUOKIF-DEOSSOPVSA-N 1 0 417.488 4.451 40 0 HIABRO C[N@@H+]1CCC[C@H](CNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)C1 ZINC000257302347 559286084 /nfs/dbraw/zinc/28/60/84/559286084.db2.gz SCOMRUDSYYBNEH-OAQYLSRUSA-N 1 0 424.560 4.290 40 0 HIABRO Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)n1 ZINC000139645411 559288957 /nfs/dbraw/zinc/28/89/57/559288957.db2.gz CQYNBCHAWFXVFP-UHFFFAOYSA-N 1 0 402.542 4.074 40 0 HIABRO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 ZINC000000885095 560540829 /nfs/dbraw/zinc/54/08/29/560540829.db2.gz CUOCDNJLCGACID-UHFFFAOYSA-N 1 0 422.598 4.214 40 0 HIABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000004231311 560603108 /nfs/dbraw/zinc/60/31/08/560603108.db2.gz NHOWPJREOMTKEH-UHFFFAOYSA-N 1 0 412.921 4.086 40 0 HIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 ZINC000006629881 560744565 /nfs/dbraw/zinc/74/45/65/560744565.db2.gz HOFNOUBLMKAHME-UHFFFAOYSA-N 1 0 420.376 4.418 40 0 HIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)C1 ZINC000219242311 568488297 /nfs/dbraw/zinc/48/82/97/568488297.db2.gz OQBGUECYAOREBG-MRXNPFEDSA-N 1 0 410.543 4.302 40 0 HIABRO Cc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222601036 568520149 /nfs/dbraw/zinc/52/01/49/568520149.db2.gz LJJBTDUEKJVSIL-FQEVSTJZSA-N 1 0 422.504 4.055 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223248001 568542535 /nfs/dbraw/zinc/54/25/35/568542535.db2.gz JDZQPULCOKSYGE-VXKWHMMOSA-N 1 0 411.619 4.313 40 0 HIABRO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1C ZINC000223281359 568543962 /nfs/dbraw/zinc/54/39/62/568543962.db2.gz DSVINOHLVLXAFT-GOTSBHOMSA-N 1 0 419.598 4.023 40 0 HIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000223282578 568544130 /nfs/dbraw/zinc/54/41/30/568544130.db2.gz INROMTFINLPFDC-NHCUHLMSSA-N 1 0 424.595 4.360 40 0 HIABRO Cc1cccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000223415060 568548108 /nfs/dbraw/zinc/54/81/08/568548108.db2.gz WUQXYORIQRCOQX-UHFFFAOYSA-N 1 0 400.522 4.362 40 0 HIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c(C)c1 ZINC000224533244 568583887 /nfs/dbraw/zinc/58/38/87/568583887.db2.gz RFOGVKVWBPVYKX-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000224594539 568586874 /nfs/dbraw/zinc/58/68/74/568586874.db2.gz ZTSMMBSIAYSOQE-FCHUYYIVSA-N 1 0 413.506 4.150 40 0 HIABRO O=C(CN1c2cccc3cccc(c23)C1=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224819136 568598411 /nfs/dbraw/zinc/59/84/11/568598411.db2.gz CPYSXKMWKXOJCS-UHFFFAOYSA-N 1 0 413.521 4.102 40 0 HIABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)CCOCC2)cc1 ZINC000225568885 568652195 /nfs/dbraw/zinc/65/21/95/568652195.db2.gz JSKPATHVOSTYIZ-UHFFFAOYSA-N 1 0 408.542 4.157 40 0 HIABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000225730461 568668752 /nfs/dbraw/zinc/66/87/52/568668752.db2.gz RRFSSSJMLUTWOL-GASCZTMLSA-N 1 0 411.999 4.171 40 0 HIABRO CCOC(=O)c1cc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000225730368 568668835 /nfs/dbraw/zinc/66/88/35/568668835.db2.gz MNHDCFWETXPUAP-GASCZTMLSA-N 1 0 411.999 4.171 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257219846 568782101 /nfs/dbraw/zinc/78/21/01/568782101.db2.gz DILIDLMFIXDAOM-NRFANRHFSA-N 1 0 424.564 4.167 40 0 HIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257228926 568784481 /nfs/dbraw/zinc/78/44/81/568784481.db2.gz FVXILRXJGYVBIX-GOSISDBHSA-N 1 0 401.938 4.111 40 0 HIABRO Cc1nc(C)c(CC(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)s1 ZINC000257236217 568786489 /nfs/dbraw/zinc/78/64/89/568786489.db2.gz HBFOGEXNOKMDKH-SKTMCQNTSA-N 1 0 409.599 4.045 40 0 HIABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257238765 568787362 /nfs/dbraw/zinc/78/73/62/568787362.db2.gz HMLBLIRFFZEDLE-JOCHJYFZSA-N 1 0 420.601 4.383 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCC(C)CC4)on3)C2)c1 ZINC000257256782 568792112 /nfs/dbraw/zinc/79/21/12/568792112.db2.gz KMWMKWHADDSCOM-SYYJFZTOSA-N 1 0 411.546 4.371 40 0 HIABRO 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 568793511 /nfs/dbraw/zinc/79/35/11/568793511.db2.gz LLSQDRUQKHRQHG-UCKMRUJXSA-N 1 0 407.533 4.289 40 0 HIABRO CNc1cc([C@@]2(C)CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)nc(C)n1 ZINC000257289892 568801401 /nfs/dbraw/zinc/80/14/01/568801401.db2.gz QAPYUMUCUXCAGA-VWLOTQADSA-N 1 0 417.557 4.354 40 0 HIABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4ccc(N)nc4)C3)c2)cc1 ZINC000257307111 568806797 /nfs/dbraw/zinc/80/67/97/568806797.db2.gz SXGYJTGIHRJLOZ-SFHVURJKSA-N 1 0 417.513 4.139 40 0 HIABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)c4ccco4)C[C@@H]32)cc1 ZINC000257310981 568807608 /nfs/dbraw/zinc/80/76/08/568807608.db2.gz UHKQUVGYGDBXFH-WXFUMESZSA-N 1 0 416.521 4.419 40 0 HIABRO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2-c2ccccc2OC)C1 ZINC000257337937 568815343 /nfs/dbraw/zinc/81/53/43/568815343.db2.gz YVBVGUFZZOVLLQ-SANMLTNESA-N 1 0 415.537 4.037 40 0 HIABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000026780603 568831359 /nfs/dbraw/zinc/83/13/59/568831359.db2.gz FINWJXUZMCCZPH-NRFANRHFSA-N 1 0 422.491 4.193 40 0 HIABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)nn2c1 ZINC000306134620 568896543 /nfs/dbraw/zinc/89/65/43/568896543.db2.gz NTROLERIIWCZLO-LJQANCHMSA-N 1 0 417.488 4.319 40 0 HIABRO Cc1ccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306137352 568899076 /nfs/dbraw/zinc/89/90/76/568899076.db2.gz QUDGLTYIGFJWNH-OFNKIYASSA-N 1 0 412.603 4.062 40 0 HIABRO CCc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306137428 568899393 /nfs/dbraw/zinc/89/93/93/568899393.db2.gz QVZMBQOTZORGJX-ZEQKJWHPSA-N 1 0 420.601 4.255 40 0 HIABRO Cc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144384 568905859 /nfs/dbraw/zinc/90/58/59/568905859.db2.gz ZDSRTJYVWFOHFL-RDGATRHJSA-N 1 0 406.574 4.001 40 0 HIABRO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000329034401 568974008 /nfs/dbraw/zinc/97/40/08/568974008.db2.gz QZCURCOVGGZQKP-UHFFFAOYSA-N 1 0 409.965 4.365 40 0 HIABRO CCOc1cc(C[NH2+]CCOC)cc(Br)c1OCc1ccc(F)cc1 ZINC000008253977 569061246 /nfs/dbraw/zinc/06/12/46/569061246.db2.gz KQNGXNYWOHEOHD-UHFFFAOYSA-N 1 0 412.299 4.302 40 0 HIABRO O=C(C[N@@H+]1C[C@@H]2[C@@H](Cc3ccccc3Cl)CC[C@@H]2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000536558922 569062842 /nfs/dbraw/zinc/06/28/42/569062842.db2.gz TXISHJVFJBPTPD-QGPMSJSTSA-N 1 0 424.932 4.061 40 0 HIABRO Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc43)CC1)[C@H](C)CCC2 ZINC000067665354 569283240 /nfs/dbraw/zinc/28/32/40/569283240.db2.gz OGYZXUJCZWNPPY-OAHLLOKOSA-N 1 0 424.520 4.151 40 0 in-vitro HIABRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000245318935 569314085 /nfs/dbraw/zinc/31/40/85/569314085.db2.gz XPZYNXNJVXSWRE-HWHRFOGPSA-N 1 0 409.014 4.300 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NCC(C)C)CC1 ZINC000009062922 569342232 /nfs/dbraw/zinc/34/22/32/569342232.db2.gz WBNVVBAVDAKKOP-UHFFFAOYSA-N 1 0 407.558 4.232 40 0 HIABRO O=C(NCCSCc1ccccc1F)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009062714 569342236 /nfs/dbraw/zinc/34/22/36/569342236.db2.gz HRZKLEDIKSRCPS-UHFFFAOYSA-N 1 0 404.526 4.226 40 0 HIABRO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1OCC ZINC000009062702 569342283 /nfs/dbraw/zinc/34/22/83/569342283.db2.gz BLSCWHPWHWJVCA-UHFFFAOYSA-N 1 0 414.521 4.152 40 0 HIABRO Cc1ccccc1CSCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063588 569342426 /nfs/dbraw/zinc/34/24/26/569342426.db2.gz UUHOKURPWIMPNS-UHFFFAOYSA-N 1 0 400.563 4.396 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c2ccccc21 ZINC000019290442 569345503 /nfs/dbraw/zinc/34/55/03/569345503.db2.gz ZAWCIFMIKYXEES-NBGIEHNGSA-N 1 0 416.569 4.443 40 0 HIABRO NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH+](Cc2ccccn2)CC1 ZINC000019700433 569347217 /nfs/dbraw/zinc/34/72/17/569347217.db2.gz SWYZGRNSLPPJBP-UHFFFAOYSA-N 1 0 403.501 4.198 40 0 HIABRO CCn1c(C[N@@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)nc2ccccc21 ZINC000019704536 569347702 /nfs/dbraw/zinc/34/77/02/569347702.db2.gz QLIIUPSJZWAARZ-KRWDZBQOSA-N 1 0 419.504 4.487 40 0 HIABRO Cc1nc([C@]2(O)CCC[N@H+](CC3CC3)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019738682 569348592 /nfs/dbraw/zinc/34/85/92/569348592.db2.gz OKQSPKXTRDROSX-QFIPXVFZSA-N 1 0 422.541 4.435 40 0 HIABRO CNc1cc(CN(C)Cc2ccc(-c3ccc(F)cc3)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759973 569348793 /nfs/dbraw/zinc/34/87/93/569348793.db2.gz XLIAVDMXXBIPNF-JOCHJYFZSA-N 1 0 405.521 4.381 40 0 HIABRO COc1ccc(NC(=O)c2cnc([C@H]3CC[N@H+](Cc4ccccc4C)C3)nc2C)cc1 ZINC000019766211 569349044 /nfs/dbraw/zinc/34/90/44/569349044.db2.gz VPVRSZAIDAXJCU-FQEVSTJZSA-N 1 0 416.525 4.344 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccn2)n1 ZINC000328969875 571304388 /nfs/dbraw/zinc/30/43/88/571304388.db2.gz DFGTUHCYZNCMSB-UHFFFAOYSA-N 1 0 416.451 4.665 40 0 HIABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(OC)cc5)c43)C2)cc1 ZINC000004237507 291266314 /nfs/dbraw/zinc/26/63/14/291266314.db2.gz MIZXXKJVQQRJEY-PZJWPPBQSA-N 1 0 416.521 4.152 40 0 biogenic,in-vitro HIABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CC2CCCCC2)C1)c1ccccc1 ZINC000004236217 291269686 /nfs/dbraw/zinc/26/96/86/291269686.db2.gz CQCMVNPUBZJCIW-PZJWPPBQSA-N 1 0 405.542 4.100 40 0 biogenic,in-vitro HIABRO Nc1ccccc1C(=O)NCCCCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000005373316 132305461 /nfs/dbraw/zinc/30/54/61/132305461.db2.gz PXEKPMKOANTIIF-UHFFFAOYSA-N 1 0 414.981 4.035 40 0 HIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000044856824 522669843 /nfs/dbraw/zinc/66/98/43/522669843.db2.gz HUGAJFRWLZHJHO-JOCHJYFZSA-N 1 0 410.558 4.492 40 0 HIABRO COc1ccccc1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044906603 524401689 /nfs/dbraw/zinc/40/16/89/524401689.db2.gz IZPJRKMXYQKATM-HXUWFJFHSA-N 1 0 400.950 4.310 40 0 HIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(Br)cc2F)C1 ZINC000225729332 525210315 /nfs/dbraw/zinc/21/03/15/525210315.db2.gz QUWBDHHIBJLCQQ-CHWSQXEVSA-N 1 0 402.377 4.243 40 0 HIABRO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044852558 525309707 /nfs/dbraw/zinc/30/97/07/525309707.db2.gz PHYBJJNKUCWLAG-SFHVURJKSA-N 1 0 400.950 4.444 40 0 HIABRO COc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1ccccc1F ZINC000006883113 557728697 /nfs/dbraw/zinc/72/86/97/557728697.db2.gz DVVXPOILGINLKM-UHFFFAOYSA-N 1 0 412.299 4.036 40 0 HIABRO Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000019756693 558274530 /nfs/dbraw/zinc/27/45/30/558274530.db2.gz DTJUNYUFMFCRNI-LJQANCHMSA-N 1 0 410.537 4.422 40 0 HIABRO COc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ncccc1C)CCCC2 ZINC000012089089 558323501 /nfs/dbraw/zinc/32/35/01/558323501.db2.gz GTXJPOOVDCXJOP-XZQOPNAISA-N 1 0 406.570 4.397 40 0 HIABRO COc1ccc(-c2ccc(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)cc2)cc1 ZINC000012185629 558344962 /nfs/dbraw/zinc/34/49/62/558344962.db2.gz MXHWQFJUKRSICD-SFHVURJKSA-N 1 0 405.494 4.474 40 0 HIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)C[C@@H]2O ZINC000012293582 558366831 /nfs/dbraw/zinc/36/68/31/558366831.db2.gz BZQFXPSOOKKVMX-BJKOFHAPSA-N 1 0 419.521 4.233 40 0 HIABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329778 558384511 /nfs/dbraw/zinc/38/45/11/558384511.db2.gz URYTUVIRUUIYCD-SFTDATJTSA-N 1 0 401.934 4.341 40 0 HIABRO Cc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1cc(C)ccc1O2 ZINC000012329724 558384545 /nfs/dbraw/zinc/38/45/45/558384545.db2.gz QYCHIZVIFHVINK-GOTSBHOMSA-N 1 0 406.526 4.169 40 0 HIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cnn(Cc3ccccc3)c2C)CC1 ZINC000012344226 558386217 /nfs/dbraw/zinc/38/62/17/558386217.db2.gz BCBBCPJSDQLODY-UHFFFAOYSA-N 1 0 420.532 4.006 40 0 HIABRO COc1ccccc1C1(O)CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000012344528 558386470 /nfs/dbraw/zinc/38/64/70/558386470.db2.gz WRRDNRMWOUXSBG-UHFFFAOYSA-N 1 0 409.505 4.120 40 0 HIABRO COc1cc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1OC(C)C ZINC000039744110 558686890 /nfs/dbraw/zinc/68/68/90/558686890.db2.gz HMDQUMQRJCOHQE-UHFFFAOYSA-N 1 0 414.521 4.150 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000039753048 558687375 /nfs/dbraw/zinc/68/73/75/558687375.db2.gz WHLSPWYWEMKSQR-UHFFFAOYSA-N 1 0 411.977 4.209 40 0 HIABRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ccc1Cl ZINC000030938882 558745087 /nfs/dbraw/zinc/74/50/87/558745087.db2.gz NSRRGASOXINSQP-OAHLLOKOSA-N 1 0 404.869 4.116 40 0 HIABRO CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030939462 558745318 /nfs/dbraw/zinc/74/53/18/558745318.db2.gz UENNTNCLBQYKOA-SFHVURJKSA-N 1 0 413.949 4.331 40 0 HIABRO CC(=O)Oc1ccc(CC[NH2+]C(c2ccccc2)c2ccccc2)cc1OC(C)=O ZINC000031748898 558752171 /nfs/dbraw/zinc/75/21/71/558752171.db2.gz FLRGIKBVRFFEPY-UHFFFAOYSA-N 1 0 403.478 4.459 40 0 HIABRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](NC(=O)C2CCC2)c2ccccn2)cc1 ZINC000036734717 558801216 /nfs/dbraw/zinc/80/12/16/558801216.db2.gz ASQMJPZVYKDROF-URXFXBBRSA-N 1 0 407.558 4.492 40 0 HIABRO COc1cc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc2c1OCO2 ZINC000036740513 558801835 /nfs/dbraw/zinc/80/18/35/558801835.db2.gz PSRGYEQVLPIQHZ-UHFFFAOYSA-N 1 0 411.546 4.130 40 0 HIABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449645 558888162 /nfs/dbraw/zinc/88/81/62/558888162.db2.gz XQIYDXYRDGZGHX-SANMLTNESA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)c1ccc(C[NH+]2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)cc1 ZINC000019453190 558890690 /nfs/dbraw/zinc/89/06/90/558890690.db2.gz OZXNWJUVHFFHTF-NRFANRHFSA-N 1 0 411.546 4.086 40 0 HIABRO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC000019520109 558901073 /nfs/dbraw/zinc/90/10/73/558901073.db2.gz WNPLUTIPIJFESL-GHTZIAJQSA-N 1 0 424.589 4.233 40 0 HIABRO CC[NH+]1CCC(N2CCC[C@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1 ZINC000019527043 558908095 /nfs/dbraw/zinc/90/80/95/558908095.db2.gz PBVZROSTZHRZSM-SFHVURJKSA-N 1 0 409.500 4.493 40 0 HIABRO CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CC[N@H+](Cc2ccncc2)C1 ZINC000019529183 558910861 /nfs/dbraw/zinc/91/08/61/558910861.db2.gz WBHYTBPPBLLGDX-SANMLTNESA-N 1 0 417.528 4.459 40 0 HIABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)C3CCCC3)c3ccccn3)CC2)c1 ZINC000019564831 558924807 /nfs/dbraw/zinc/92/48/07/558924807.db2.gz BPNUBKAVRSQEKF-XMMPIXPASA-N 1 0 407.558 4.350 40 0 HIABRO C[NH+]1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2N)CC1 ZINC000072229432 558932057 /nfs/dbraw/zinc/93/20/57/558932057.db2.gz KIENIDOZQSLBBT-UHFFFAOYSA-N 1 0 413.736 4.233 40 0 HIABRO COc1ccccc1OCC[NH2+]C[C@H](O)CCOc1cccc2[nH]c3ccccc3c21 ZINC000072318306 558932931 /nfs/dbraw/zinc/93/29/31/558932931.db2.gz OHYHNEODRHJYSS-GOSISDBHSA-N 1 0 420.509 4.128 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019579598 558935077 /nfs/dbraw/zinc/93/50/77/558935077.db2.gz XXSVRNJKODEGET-SANMLTNESA-N 1 0 414.553 4.057 40 0 HIABRO C[C@H]1Cc2cc(C[N@@H+]3CCC[C@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2O1 ZINC000072330573 558935207 /nfs/dbraw/zinc/93/52/07/558935207.db2.gz WSBUQQOHDOYUOG-HMHJJOSWSA-N 1 0 419.569 4.275 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019580257 558935816 /nfs/dbraw/zinc/93/58/16/558935816.db2.gz LODUAYKWXNVOIO-AREMUKBSSA-N 1 0 404.554 4.023 40 0 HIABRO Cc1noc(C)c1Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC000019581076 558936678 /nfs/dbraw/zinc/93/66/78/558936678.db2.gz RFRJLEBYPAODBG-SFHVURJKSA-N 1 0 401.576 4.424 40 0 HIABRO C[NH+](C)CCCNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 ZINC000019582342 558937293 /nfs/dbraw/zinc/93/72/93/558937293.db2.gz CVIUSTVMEIFENJ-UHFFFAOYSA-N 1 0 416.512 4.039 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341421 558939740 /nfs/dbraw/zinc/93/97/40/558939740.db2.gz OPTZURDZBWXKDN-CTNGQTDRSA-N 1 0 413.587 4.411 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(OC)cc3)C2)cc1 ZINC000072345906 558942548 /nfs/dbraw/zinc/94/25/48/558942548.db2.gz OUMHJWHWOGXBCG-IBGZPJMESA-N 1 0 404.514 4.123 40 0 HIABRO CCc1ncc(C[N@@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000072346222 558943041 /nfs/dbraw/zinc/94/30/41/558943041.db2.gz HZMCGMVZNIFOKY-KRWDZBQOSA-N 1 0 408.937 4.111 40 0 HIABRO Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)n1 ZINC000061367864 558945165 /nfs/dbraw/zinc/94/51/65/558945165.db2.gz AZXFNWYVHAKFOS-UHFFFAOYSA-N 1 0 416.569 4.464 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnc3C)C2)cc1Cc1c(C)n[nH]c1C ZINC000019658393 558950418 /nfs/dbraw/zinc/95/04/18/558950418.db2.gz STIYMLAYMIYDHW-OAQYLSRUSA-N 1 0 407.562 4.043 40 0 HIABRO Cc1cccc2c(C(=O)N3CCC(CC[NH+](C)C)CC3)cc(-c3cccnc3)nc12 ZINC000019664102 558954654 /nfs/dbraw/zinc/95/46/54/558954654.db2.gz XDNANDLKNLOFAX-UHFFFAOYSA-N 1 0 402.542 4.409 40 0 HIABRO COc1ccc2c(C[NH+]3CCC(c4ccc(-c5cnn(C)c5)cn4)CC3)cn(C)c2c1 ZINC000019688126 558957673 /nfs/dbraw/zinc/95/76/73/558957673.db2.gz LHDPZUSLMHRRCB-UHFFFAOYSA-N 1 0 415.541 4.362 40 0 HIABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)s1 ZINC000072371796 558959090 /nfs/dbraw/zinc/95/90/90/558959090.db2.gz VMEGNEQRDSMNRY-OAHLLOKOSA-N 1 0 402.951 4.439 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 ZINC000019694067 558962330 /nfs/dbraw/zinc/96/23/30/558962330.db2.gz VNZJOYDIDUYBFN-GOSISDBHSA-N 1 0 424.980 4.285 40 0 HIABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000019700105 558966952 /nfs/dbraw/zinc/96/69/52/558966952.db2.gz OBRYNCCARCAMDR-UHFFFAOYSA-N 1 0 414.553 4.023 40 0 HIABRO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccncc4)C3)[nH]n2)c1 ZINC000072380045 558968137 /nfs/dbraw/zinc/96/81/37/558968137.db2.gz LLGIBKWGAKFFFF-QGZVFWFLSA-N 1 0 416.447 4.435 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072394031 558973314 /nfs/dbraw/zinc/97/33/14/558973314.db2.gz CJDHMNRHOPEJQC-XMMPIXPASA-N 1 0 423.488 4.264 40 0 HIABRO COc1ccc(C[N@H+](Cc2cccc(OC)c2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000072395086 558973782 /nfs/dbraw/zinc/97/37/82/558973782.db2.gz NRYSOOKRVPFHSO-PXDATVDWSA-N 1 0 422.525 4.260 40 0 HIABRO COc1ccc(C[N@@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000072397154 558975657 /nfs/dbraw/zinc/97/56/57/558975657.db2.gz BPKBNWYPTICRNJ-HNNXBMFYSA-N 1 0 420.435 4.063 40 0 HIABRO CCn1cnc2sc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)c(C)c2c1=O ZINC000019717374 558980139 /nfs/dbraw/zinc/98/01/39/558980139.db2.gz ZEONBAWRSRWMGW-HNNXBMFYSA-N 1 0 424.570 4.413 40 0 HIABRO CCn1ncc(-c2cc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)on2)c1C ZINC000019719076 558983003 /nfs/dbraw/zinc/98/30/03/558983003.db2.gz VNJVRQFGKXJYQD-MRXNPFEDSA-N 1 0 407.518 4.493 40 0 HIABRO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 ZINC000585100546 559023998 /nfs/dbraw/zinc/02/39/98/559023998.db2.gz NBMNAZDJBIZEKP-JOCHJYFZSA-N 1 0 400.523 4.064 40 0 HIABRO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585102302 559025954 /nfs/dbraw/zinc/02/59/54/559025954.db2.gz WSCVTLVYWMQCQY-ILBGXUMGSA-N 1 0 406.526 4.338 40 0 HIABRO O=C(CCc1cccnc1)N1C[C@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000096245525 559104988 /nfs/dbraw/zinc/10/49/88/559104988.db2.gz QPQVVORLPNKCJO-CLJLJLNGSA-N 1 0 411.549 4.272 40 0 HIABRO O=C(Nc1ccccc1F)c1ccc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096267518 559108184 /nfs/dbraw/zinc/10/81/84/559108184.db2.gz ZJSLKBUXZKSYHQ-SFHVURJKSA-N 1 0 415.472 4.110 40 0 HIABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585288997 559122425 /nfs/dbraw/zinc/12/24/25/559122425.db2.gz BTUAIDJGGLEZIM-CQSZACIVSA-N 1 0 407.396 4.135 40 0 HIABRO Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc(C)c1Cl ZINC000111894593 559178141 /nfs/dbraw/zinc/17/81/41/559178141.db2.gz MPVGJZPDPPCGMX-KRWDZBQOSA-N 1 0 401.938 4.115 40 0 HIABRO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257258615 559284715 /nfs/dbraw/zinc/28/47/15/559284715.db2.gz KUTQQYSJGMARPP-HSZRJFAPSA-N 1 0 401.510 4.108 40 0 HIABRO C[N@@H+]1CCC[C@@H](NC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257301717 559286056 /nfs/dbraw/zinc/28/60/56/559286056.db2.gz RZPWFQGHJMPIBB-HSZRJFAPSA-N 1 0 410.533 4.042 40 0 HIABRO COc1cccc(C[NH+]2CCC(Cc3cccc(-c4ccncc4)c3)(C(N)=O)CC2)c1 ZINC000257305686 559286221 /nfs/dbraw/zinc/28/62/21/559286221.db2.gz SRAZVMGADRIRRE-UHFFFAOYSA-N 1 0 415.537 4.067 40 0 HIABRO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514289838 560031765 /nfs/dbraw/zinc/03/17/65/560031765.db2.gz PCYFZEUNANDUKK-VWNXMTODSA-N 1 0 420.459 4.349 40 0 biogenic,in-vitro HIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231324 560603071 /nfs/dbraw/zinc/60/30/71/560603071.db2.gz OOUIQNNPBHLLLJ-QFIPXVFZSA-N 1 0 418.541 4.355 40 0 HIABRO Cc1cccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000004895225 560611103 /nfs/dbraw/zinc/61/11/03/560611103.db2.gz ZLHZFAZCRHIZJF-UHFFFAOYSA-N 1 0 417.435 4.034 40 0 HIABRO O=C(NCCSc1ccccn1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000409184502 560688895 /nfs/dbraw/zinc/68/88/95/560688895.db2.gz GWWNNPOLZHFHHB-UHFFFAOYSA-N 1 0 403.551 4.162 40 0 HIABRO Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020121615 560880851 /nfs/dbraw/zinc/88/08/51/560880851.db2.gz OTSMLEHTLPVIGP-HSZRJFAPSA-N 1 0 408.594 4.136 40 0 HIABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000005157054 568441773 /nfs/dbraw/zinc/44/17/73/568441773.db2.gz QPJHFYHVBGKHGY-VJTSUQJLSA-N 1 0 408.542 4.310 40 0 HIABRO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000005157052 568441795 /nfs/dbraw/zinc/44/17/95/568441795.db2.gz QPJHFYHVBGKHGY-PZUNEJSGSA-N 1 0 408.542 4.310 40 0 HIABRO Cc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)n2)c1 ZINC000219410204 568491363 /nfs/dbraw/zinc/49/13/63/568491363.db2.gz ILBPTCMPLMVVLO-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773440 568497699 /nfs/dbraw/zinc/49/76/99/568497699.db2.gz HKGRMKDWBQAIJM-DYESRHJHSA-N 1 0 417.575 4.030 40 0 HIABRO CC(C)CSc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000223447497 568549055 /nfs/dbraw/zinc/54/90/55/568549055.db2.gz RORIIYQYAFWKPV-OAHLLOKOSA-N 1 0 408.568 4.276 40 0 HIABRO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000224027995 568566914 /nfs/dbraw/zinc/56/69/14/568566914.db2.gz SAKYPEHOSZFHCV-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000224181161 568572862 /nfs/dbraw/zinc/57/28/62/568572862.db2.gz JQEVABGEZNHQLW-GOSISDBHSA-N 1 0 404.913 4.195 40 0 HIABRO O=S(=O)(NCc1cccc(C[NH+]2CCCCC2)c1)c1cc(Cl)ccc1Cl ZINC000224664669 568591385 /nfs/dbraw/zinc/59/13/85/568591385.db2.gz ZAHBFGIXNXTDAV-UHFFFAOYSA-N 1 0 413.370 4.458 40 0 HIABRO O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224828897 568598926 /nfs/dbraw/zinc/59/89/26/568598926.db2.gz GFWHKKJBLJKKCW-UHFFFAOYSA-N 1 0 410.942 4.085 40 0 HIABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)CCOCC2)c1 ZINC000225566543 568651663 /nfs/dbraw/zinc/65/16/63/568651663.db2.gz QGWUNTBFTNHQNB-UHFFFAOYSA-N 1 0 408.542 4.157 40 0 HIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225583570 568654250 /nfs/dbraw/zinc/65/42/50/568654250.db2.gz CDQOVMFFLQIIMO-IBGZPJMESA-N 1 0 402.608 4.063 40 0 HIABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)cc1Cl ZINC000225583202 568654334 /nfs/dbraw/zinc/65/43/34/568654334.db2.gz RRBVCTPOYJILOO-INIZCTEOSA-N 1 0 411.999 4.458 40 0 HIABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)nc3)Cc3ccccc3C2)cc1 ZINC000225933989 568687117 /nfs/dbraw/zinc/68/71/17/568687117.db2.gz NXDMIKOGSCLPJV-UHFFFAOYSA-N 1 0 415.537 4.006 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257214571 568780372 /nfs/dbraw/zinc/78/03/72/568780372.db2.gz CMMRCOSKAASDQU-NRFANRHFSA-N 1 0 424.564 4.167 40 0 HIABRO Cc1nc(C)c(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)s1 ZINC000257237802 568786906 /nfs/dbraw/zinc/78/69/06/568786906.db2.gz HIFZDFSXNFCRAI-DGFIKVTLSA-N 1 0 409.599 4.045 40 0 HIABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4cc5c(cc4Cl)OCO5)C3)n2)cc1 ZINC000257241301 568787928 /nfs/dbraw/zinc/78/79/28/568787928.db2.gz HXOBVYYKNZLBOW-AWEZNQCLSA-N 1 0 413.861 4.117 40 0 HIABRO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257260286 568792905 /nfs/dbraw/zinc/79/29/05/568792905.db2.gz LCEIUMZDALXHMD-QGZVFWFLSA-N 1 0 424.574 4.269 40 0 HIABRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257262733 568793691 /nfs/dbraw/zinc/79/36/91/568793691.db2.gz LMPIVYJNOLCSAQ-XMMPIXPASA-N 1 0 421.585 4.079 40 0 HIABRO CN(C(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)C1CCCCC1 ZINC000257287460 568800890 /nfs/dbraw/zinc/80/08/90/568800890.db2.gz PQBQBEGMPKWAFD-UHFFFAOYSA-N 1 0 407.562 4.191 40 0 HIABRO CNc1cc(C)nc([C@]2(C)CCC[N@H+](Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257291649 568802030 /nfs/dbraw/zinc/80/20/30/568802030.db2.gz QHZRSQHWFCTBLP-RUZDIDTESA-N 1 0 417.557 4.354 40 0 HIABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257336176 568814958 /nfs/dbraw/zinc/81/49/58/568814958.db2.gz YNMCGMJEFWTPBF-GOSISDBHSA-N 1 0 417.513 4.260 40 0 HIABRO Cc1nc2c(n1C(C)C)CN(C(=O)C1CC1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306134969 568897039 /nfs/dbraw/zinc/89/70/39/568897039.db2.gz ODBHLTONUQVCNO-UHFFFAOYSA-N 1 0 406.574 4.058 40 0 HIABRO CC(C)c1nc2c(s1)CN(C(=O)CC1CC1)CC21CC[NH+](Cc2cccnc2)CC1 ZINC000306140041 568901882 /nfs/dbraw/zinc/90/18/82/568901882.db2.gz UIDBPDTXZOPVEL-UHFFFAOYSA-N 1 0 424.614 4.338 40 0 HIABRO CC(C)C[N@@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000306142269 568903725 /nfs/dbraw/zinc/90/37/25/568903725.db2.gz WVAJPMMZCYIEMD-NFBKMPQASA-N 1 0 413.587 4.210 40 0 HIABRO CC[NH+]1CCN(Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)CC1 ZINC000216840639 569025626 /nfs/dbraw/zinc/02/56/26/569025626.db2.gz BLCLGVGWOLVVAU-UHFFFAOYSA-N 1 0 400.320 4.395 40 0 HIABRO O=C(CCn1ccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198652 569058955 /nfs/dbraw/zinc/05/89/55/569058955.db2.gz FJWSWFYQJWQWGW-VAJMTYMLSA-N 1 0 403.570 4.453 40 0 HIABRO Cc1sc(-n2cccc2)nc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198668 569058967 /nfs/dbraw/zinc/05/89/67/569058967.db2.gz FRKDBYDVVFSDHF-HIUFNZKISA-N 1 0 422.598 4.277 40 0 HIABRO COc1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1OCc1c(C)noc1C ZINC000248035200 569316150 /nfs/dbraw/zinc/31/61/50/569316150.db2.gz MIGNANVOJQHZIY-QHCPKHFHSA-N 1 0 421.541 4.368 40 0 HIABRO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2O1 ZINC000253594294 569318309 /nfs/dbraw/zinc/31/83/09/569318309.db2.gz WSBUQQOHDOYUOG-JYMRHQFYSA-N 1 0 419.569 4.275 40 0 HIABRO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063252 569342304 /nfs/dbraw/zinc/34/23/04/569342304.db2.gz CHXXZBZJDLEWNK-UHFFFAOYSA-N 1 0 413.949 4.331 40 0 HIABRO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2O1 ZINC000019498193 569345647 /nfs/dbraw/zinc/34/56/47/569345647.db2.gz WSBUQQOHDOYUOG-IOZGHAEBSA-N 1 0 419.569 4.275 40 0 HIABRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](NC(=O)C2CCC2)c2ccccn2)cc1 ZINC000019555275 569345691 /nfs/dbraw/zinc/34/56/91/569345691.db2.gz ASQMJPZVYKDROF-XUZZJYLKSA-N 1 0 407.558 4.492 40 0 HIABRO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1ccc(-n2cccn2)nc1 ZINC000141553482 569354819 /nfs/dbraw/zinc/35/48/19/569354819.db2.gz NNOBFBAZAGBVGY-OAQYLSRUSA-N 1 0 423.948 4.268 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccn2)n1 ZINC000329047910 571304393 /nfs/dbraw/zinc/30/43/93/571304393.db2.gz UIIYZKGEPACFDS-UHFFFAOYSA-N 1 0 404.562 4.943 40 0 HIABRO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000020503516 575370045 /nfs/dbraw/zinc/37/00/45/575370045.db2.gz URRPTYAEYVHYSA-RBBKRZOGSA-N 1 0 413.521 4.093 40 0 biogenic,in-vitro HIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC2CC2)Cc2cn(Cc3ccccn3)c3cccc1c23 ZINC000049171663 291261774 /nfs/dbraw/zinc/26/17/74/291261774.db2.gz JBPHAADFFNTRPI-GOTSBHOMSA-N 1 0 416.569 4.212 40 0 biogenic,in-vitro HIABRO CCCNC(=O)[C@@H]1Cc2cn(Cc3c(C)noc3C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171820 291262905 /nfs/dbraw/zinc/26/29/05/291262905.db2.gz CBTDKUVETVQAEI-VXKWHMMOSA-N 1 0 422.573 4.422 40 0 biogenic,in-vitro HIABRO COc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ccc1OC(C)C ZINC000044905280 522429583 /nfs/dbraw/zinc/42/95/83/522429583.db2.gz WAHONZFSQLQZGQ-FQEVSTJZSA-N 1 0 414.521 4.150 40 0 HIABRO COc1cc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc(OC)c1OC ZINC000044917662 522433953 /nfs/dbraw/zinc/43/39/53/522433953.db2.gz JUSSACQPKLQDJH-UHFFFAOYSA-N 1 0 412.530 4.018 40 0 HIABRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872271 527190067 /nfs/dbraw/zinc/19/00/67/527190067.db2.gz MSCSTNUNUAWNKB-UHFFFAOYSA-N 1 0 413.370 4.209 40 0 HIABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(Br)ccc1Cl ZINC000032398861 527674506 /nfs/dbraw/zinc/67/45/06/527674506.db2.gz WRBHHYWBWCHVDG-UHFFFAOYSA-N 1 0 407.739 4.281 40 0 HIABRO CC[NH+](CC)CCn1nc(Cc2ccc(Br)cc2)c2ccccc2c1=O ZINC000005469644 557655580 /nfs/dbraw/zinc/65/55/80/557655580.db2.gz LIHVUEBYHZAKMD-UHFFFAOYSA-N 1 0 414.347 4.092 40 0 HIABRO CCCn1ncc2ccc([C@H]3CCC[N@H+](Cc4ccc(-n5cccn5)cc4)C3)nc21 ZINC000019742486 558262686 /nfs/dbraw/zinc/26/26/86/558262686.db2.gz ZCPPQGMTPNVNIE-NRFANRHFSA-N 1 0 400.530 4.407 40 0 HIABRO CCn1cc(C[NH+]2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)c(C)n1 ZINC000019744074 558264454 /nfs/dbraw/zinc/26/44/54/558264454.db2.gz SQKOBUGAQPCWKB-VWLOTQADSA-N 1 0 422.617 4.295 40 0 HIABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019756666 558274571 /nfs/dbraw/zinc/27/45/71/558274571.db2.gz ANAXORRJHYIBEB-FQEVSTJZSA-N 1 0 422.573 4.292 40 0 HIABRO CCn1nc(C)c(C[NH+]2CCC(Cc3cc(NC4CCCC4)nc(C)n3)CC2)c1C ZINC000019758943 558275277 /nfs/dbraw/zinc/27/52/77/558275277.db2.gz IJRFJQHCUAXUTM-UHFFFAOYSA-N 1 0 410.610 4.427 40 0 HIABRO CC(C)NC(=O)c1cc([C@H]2CC[N@H+](Cc3cnc(C(C)C)nc3)C2)nc2ccccc21 ZINC000019761895 558276843 /nfs/dbraw/zinc/27/68/43/558276843.db2.gz MNJZWIBCTQCWHZ-IBGZPJMESA-N 1 0 417.557 4.276 40 0 HIABRO CCOc1ncccc1C(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000012087461 558322320 /nfs/dbraw/zinc/32/23/20/558322320.db2.gz BJRSQEADJXSRHV-UHFFFAOYSA-N 1 0 421.545 4.358 40 0 HIABRO CC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2c(C)n(C)c3cc(C)ccc32)C1 ZINC000012088835 558323410 /nfs/dbraw/zinc/32/34/10/558323410.db2.gz QBZGFEZFIAQUHO-GCJKJVERSA-N 1 0 410.587 4.341 40 0 HIABRO Cc1nc(-c2ccc(C)cc2C)c(CC(=O)N(CC[NH+](C)C)Cc2cccnc2)s1 ZINC000012223123 558356500 /nfs/dbraw/zinc/35/65/00/558356500.db2.gz CLVPGCUIDFLBTR-UHFFFAOYSA-N 1 0 422.598 4.263 40 0 HIABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3cn(C)c4ccccc34)CC1)O2 ZINC000012293235 558366213 /nfs/dbraw/zinc/36/62/13/558366213.db2.gz PNNVNLRAGDFVGI-ZEQRLZLVSA-N 1 0 420.553 4.179 40 0 HIABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1C ZINC000012293523 558366467 /nfs/dbraw/zinc/36/64/67/558366467.db2.gz YHKAIALJSJAFNB-RTWAWAEBSA-N 1 0 401.934 4.341 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc(F)c(F)c1 ZINC000012293713 558367032 /nfs/dbraw/zinc/36/70/32/558367032.db2.gz GYERUCZNTQFJGG-RBUKOAKNSA-N 1 0 409.860 4.002 40 0 HIABRO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020456345 558370037 /nfs/dbraw/zinc/37/00/37/558370037.db2.gz QVZOHYHVJDUFOT-IBGZPJMESA-N 1 0 402.542 4.343 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330182 558385189 /nfs/dbraw/zinc/38/51/89/558385189.db2.gz UCIUUMCCNCAHBU-YADHBBJMSA-N 1 0 413.945 4.213 40 0 HIABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)c1 ZINC000012330123 558385194 /nfs/dbraw/zinc/38/51/94/558385194.db2.gz KBPODRPHQQLCPU-LEWJYISDSA-N 1 0 417.933 4.041 40 0 HIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cc(C)cc(C)c1-n1cccn1 ZINC000022913701 558520466 /nfs/dbraw/zinc/52/04/66/558520466.db2.gz FVHKSHORBNIDHT-DEOSSOPVSA-N 1 0 403.574 4.371 40 0 HIABRO Cc1ccccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023473185 558559162 /nfs/dbraw/zinc/55/91/62/558559162.db2.gz JYKLCIWIECNPRF-VWLOTQADSA-N 1 0 416.565 4.142 40 0 HIABRO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039762021 558685571 /nfs/dbraw/zinc/68/55/71/558685571.db2.gz GBTJOVPWYAGFJA-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039763266 558685964 /nfs/dbraw/zinc/68/59/64/558685964.db2.gz WEYCLLQMVABDSC-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039758516 558689579 /nfs/dbraw/zinc/68/95/79/558689579.db2.gz KQBOESYJSNRZDJ-IBGZPJMESA-N 1 0 407.558 4.374 40 0 HIABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039758515 558689715 /nfs/dbraw/zinc/68/97/15/558689715.db2.gz KQBOESYJSNRZDJ-LJQANCHMSA-N 1 0 407.558 4.374 40 0 HIABRO C[C@@H](C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000036734672 558801222 /nfs/dbraw/zinc/80/12/22/558801222.db2.gz CEINOHUHQWQGIA-FPOVZHCZSA-N 1 0 416.573 4.450 40 0 HIABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)CCc2ccco2)cc1 ZINC000036743722 558802452 /nfs/dbraw/zinc/80/24/52/558802452.db2.gz YSPCWEZPJSADGP-RPWUZVMVSA-N 1 0 404.510 4.005 40 0 HIABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000019020516 558837804 /nfs/dbraw/zinc/83/78/04/558837804.db2.gz ULJFYSFQQHXRNY-VWLOTQADSA-N 1 0 407.558 4.492 40 0 HIABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccccc4OCc4ccccn4)C[C@H]32)nc1 ZINC000019216026 558850103 /nfs/dbraw/zinc/85/01/03/558850103.db2.gz QUXAMKAUJVPHJL-CLLDFNAGSA-N 1 0 415.537 4.094 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019234975 558854133 /nfs/dbraw/zinc/85/41/33/558854133.db2.gz HSORYKMLWOJQNU-FQEVSTJZSA-N 1 0 402.546 4.155 40 0 HIABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000019236881 558856052 /nfs/dbraw/zinc/85/60/52/558856052.db2.gz QQCUTALWWZMWCE-DEOSSOPVSA-N 1 0 400.526 4.168 40 0 HIABRO COc1cc(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)ccc1OC(C)C ZINC000019239043 558857742 /nfs/dbraw/zinc/85/77/42/558857742.db2.gz IESGCIOTZNLCDD-UHFFFAOYSA-N 1 0 423.517 4.010 40 0 HIABRO Cn1ncc(Cl)c1C(=O)NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1 ZINC000019288565 558861482 /nfs/dbraw/zinc/86/14/82/558861482.db2.gz LDMJBHUKEGOOIP-UHFFFAOYSA-N 1 0 414.981 4.170 40 0 HIABRO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349233 558874839 /nfs/dbraw/zinc/87/48/39/558874839.db2.gz WNKMPKIMCFFSAZ-FUDKSRODSA-N 1 0 421.541 4.413 40 0 HIABRO CCOC(=O)c1c(CN2CC[NH2+]CC2)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000019365346 558876840 /nfs/dbraw/zinc/87/68/40/558876840.db2.gz ZMUYHDADZJBKGT-UHFFFAOYSA-N 1 0 409.917 4.137 40 0 HIABRO O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019368809 558877537 /nfs/dbraw/zinc/87/75/37/558877537.db2.gz CYEZNGQZYQLCSG-QFIPXVFZSA-N 1 0 420.557 4.240 40 0 HIABRO O=C(c1cc2ccccc2nc1C1CC[NH+](Cc2ccncc2)CC1)N1CCCC1 ZINC000019376244 558882368 /nfs/dbraw/zinc/88/23/68/558882368.db2.gz CSJZYSKKISVBHX-UHFFFAOYSA-N 1 0 400.526 4.245 40 0 HIABRO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)ccc2O1 ZINC000019498014 558896665 /nfs/dbraw/zinc/89/66/65/558896665.db2.gz LPJCWKWWKSWTOG-MGPUTAFESA-N 1 0 421.459 4.046 40 0 HIABRO CCc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000019522102 558903407 /nfs/dbraw/zinc/90/34/07/558903407.db2.gz VHMUYFNXTXBKRR-UHFFFAOYSA-N 1 0 405.424 4.282 40 0 HIABRO CC[NH+]1CCC(N2CCC[C@@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1 ZINC000019527042 558908099 /nfs/dbraw/zinc/90/80/99/558908099.db2.gz PBVZROSTZHRZSM-GOSISDBHSA-N 1 0 409.500 4.493 40 0 HIABRO COc1cc(C[NH+]2CCC(c3nnc(-c4cccs4)o3)CC2)cc(OC)c1OC ZINC000019549713 558914435 /nfs/dbraw/zinc/91/44/35/558914435.db2.gz XPVAJYKSOSMHNT-UHFFFAOYSA-N 1 0 415.515 4.204 40 0 HIABRO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+](CC4CCCCC4)C3)no2)cc1 ZINC000019555778 558918446 /nfs/dbraw/zinc/91/84/46/558918446.db2.gz PPVXSBQEPMXLJC-FQEVSTJZSA-N 1 0 411.546 4.373 40 0 HIABRO Cc1cc(C)n(-c2ccc(CCC(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)cc2)n1 ZINC000019574680 558932261 /nfs/dbraw/zinc/93/22/61/558932261.db2.gz KQVZWGHBYUQJBB-QHCPKHFHSA-N 1 0 408.590 4.289 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C2CCCC2)c2ccccn2)C1 ZINC000072330390 558934533 /nfs/dbraw/zinc/93/45/33/558934533.db2.gz MPHKBFGYGUEKOQ-URXFXBBRSA-N 1 0 407.558 4.350 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)cc1 ZINC000072337776 558937956 /nfs/dbraw/zinc/93/79/56/558937956.db2.gz DAMWBOGYLLXOCT-FPOVZHCZSA-N 1 0 413.587 4.410 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344788 558941037 /nfs/dbraw/zinc/94/10/37/558941037.db2.gz YQMWXCOOTIFLFX-NRFANRHFSA-N 1 0 418.541 4.070 40 0 HIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351285 558947645 /nfs/dbraw/zinc/94/76/45/558947645.db2.gz YMTKDAKARQKANZ-REWPJTCUSA-N 1 0 423.605 4.297 40 0 HIABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000072352129 558948296 /nfs/dbraw/zinc/94/82/96/558948296.db2.gz INUQHTLBDFMDMS-UHFFFAOYSA-N 1 0 408.590 4.185 40 0 HIABRO COc1cccc(OCC[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c1 ZINC000072352391 558948782 /nfs/dbraw/zinc/94/87/82/558948782.db2.gz DHZNIMRHMJDRIR-KRWDZBQOSA-N 1 0 424.566 4.480 40 0 HIABRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(-c4ccccc4C)no3)C2)cc(OC)c1OC ZINC000072369939 558956131 /nfs/dbraw/zinc/95/61/31/558956131.db2.gz HTPZHSMNOPQLKF-QGZVFWFLSA-N 1 0 409.486 4.060 40 0 HIABRO CCc1ncc(C[N@@H+]2CCCC[C@H]2Cc2c3ccccc3sc2C(=O)NC)cn1 ZINC000072370484 558956824 /nfs/dbraw/zinc/95/68/24/558956824.db2.gz CKUFPWCWFAMPQH-KRWDZBQOSA-N 1 0 408.571 4.211 40 0 HIABRO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4c[nH]nc4C(C)(C)C)C3)[nH]n2)cc1 ZINC000072371734 558959044 /nfs/dbraw/zinc/95/90/44/558959044.db2.gz VPJONZFYAOKZBB-QGZVFWFLSA-N 1 0 423.561 4.050 40 0 HIABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 ZINC000019689848 558959422 /nfs/dbraw/zinc/95/94/22/558959422.db2.gz NJWHOMHMRWZBAP-HXUWFJFHSA-N 1 0 410.953 4.417 40 0 HIABRO CCn1ncc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)c1C ZINC000019693962 558961821 /nfs/dbraw/zinc/96/18/21/558961821.db2.gz VGIGGUUOYVMOPT-IBGZPJMESA-N 1 0 422.552 4.253 40 0 HIABRO COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CC[NH+](CC(C)(C)C)CC1 ZINC000019694156 558962318 /nfs/dbraw/zinc/96/23/18/558962318.db2.gz HCTPPYBAJXRASR-UHFFFAOYSA-N 1 0 412.578 4.452 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694315 558962733 /nfs/dbraw/zinc/96/27/33/558962733.db2.gz IKFQWTZIZGEHST-NRFANRHFSA-N 1 0 408.525 4.118 40 0 HIABRO CN(C)c1ncc(-c2ccc(N)nc2)c(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000019694843 558963550 /nfs/dbraw/zinc/96/35/50/558963550.db2.gz HYOHIDAXUPEJNI-UHFFFAOYSA-N 1 0 422.964 4.220 40 0 HIABRO CCn1nc(C)c(C[NH+]2CCC([C@@H]3CC=CCN(Cc4ccccc4)C3=O)CC2)c1C ZINC000019698456 558965997 /nfs/dbraw/zinc/96/59/97/558965997.db2.gz XWDFJMNYHJPEKT-DEOSSOPVSA-N 1 0 420.601 4.337 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000072376673 558966177 /nfs/dbraw/zinc/96/61/77/558966177.db2.gz SJFQZDRYIPGKCN-SFHVURJKSA-N 1 0 420.536 4.165 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccc(C(=O)N4CCCC4)cn3)C2)c2cc(F)ccc21 ZINC000019705895 558968319 /nfs/dbraw/zinc/96/83/19/558968319.db2.gz UVZIQXAYAOWGCI-IBGZPJMESA-N 1 0 420.532 4.328 40 0 HIABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585099845 559024507 /nfs/dbraw/zinc/02/45/07/559024507.db2.gz HYYXEDBHLHNGTH-RUZDIDTESA-N 1 0 407.558 4.327 40 0 HIABRO COc1ccc(F)c(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccc(C)o4)[C@H]3C2)c1 ZINC000585109733 559029457 /nfs/dbraw/zinc/02/94/57/559029457.db2.gz MNFAJEWWMNFBKF-AWRGLXIESA-N 1 0 420.484 4.436 40 0 HIABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC000096052756 559092273 /nfs/dbraw/zinc/09/22/73/559092273.db2.gz FJJTYTQGSWCANM-LJQANCHMSA-N 1 0 407.558 4.371 40 0 HIABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)o1 ZINC000096053096 559092885 /nfs/dbraw/zinc/09/28/85/559092885.db2.gz BLROXIDRUOBWGQ-HXUWFJFHSA-N 1 0 408.542 4.405 40 0 HIABRO OCC[N@@H+]1CCC[C@@H]1CCc1ccc(Nc2ncc(-c3ccc(F)cc3)s2)nc1 ZINC000585262795 559111349 /nfs/dbraw/zinc/11/13/49/559111349.db2.gz GSYCACFIJVQXJE-LJQANCHMSA-N 1 0 412.534 4.477 40 0 HIABRO O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000585263546 559112030 /nfs/dbraw/zinc/11/20/30/559112030.db2.gz CUCAVLXDUWADBA-UBFVSLLYSA-N 1 0 406.595 4.475 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585269989 559116146 /nfs/dbraw/zinc/11/61/46/559116146.db2.gz ACTNKNPGHIBDJX-JOCHJYFZSA-N 1 0 402.922 4.013 40 0 HIABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290677 559123303 /nfs/dbraw/zinc/12/33/03/559123303.db2.gz SSSXTPJEHNEJBM-CYBMUJFWSA-N 1 0 409.437 4.295 40 0 HIABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000072358895 559186087 /nfs/dbraw/zinc/18/60/87/559186087.db2.gz NNHOTJMTTJNXRR-OAQYLSRUSA-N 1 0 416.525 4.360 40 0 HIABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(N)ncc2-c2cccc(OC)c2)cc1 ZINC000072376774 559186554 /nfs/dbraw/zinc/18/65/54/559186554.db2.gz YBMUWGSQALLCSL-QFIPXVFZSA-N 1 0 404.514 4.470 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1 ZINC000257284729 559285519 /nfs/dbraw/zinc/28/55/19/559285519.db2.gz PEAAVTRNUXVMPR-HSZRJFAPSA-N 1 0 416.949 4.321 40 0 HIABRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)C1 ZINC000257302346 559286108 /nfs/dbraw/zinc/28/61/08/559286108.db2.gz SCOMRUDSYYBNEH-NRFANRHFSA-N 1 0 424.560 4.290 40 0 HIABRO CC[NH+](CC)CCCN(C(=O)C1CC1)c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000004187001 560602644 /nfs/dbraw/zinc/60/26/44/560602644.db2.gz YBNJYNKVOVZZIM-UHFFFAOYSA-N 1 0 417.575 4.302 40 0 HIABRO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3F)cc2c1 ZINC000004231272 560603082 /nfs/dbraw/zinc/60/30/82/560603082.db2.gz PDZGZZYUFQDWMD-UHFFFAOYSA-N 1 0 424.520 4.215 40 0 HIABRO CCOc1cc(/C=C/c2cccc[n+]2C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000005002330 560620468 /nfs/dbraw/zinc/62/04/68/560620468.db2.gz QPOUSORAAPAAJC-GXDHUFHOSA-O 1 0 403.502 4.406 40 0 HIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=O)NC3CCCCC3)cc2c1 ZINC000008586231 560636756 /nfs/dbraw/zinc/63/67/56/560636756.db2.gz DHRAYIXXPBNDHS-UHFFFAOYSA-N 1 0 424.589 4.031 40 0 aggregator HIABRO Cc1ccc2cc(CN(CC[NH+]3CCCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000008578871 560637408 /nfs/dbraw/zinc/63/74/08/560637408.db2.gz QYMFQXYAKSFAPE-UHFFFAOYSA-N 1 0 418.541 4.275 40 0 HIABRO CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000219414009 568491546 /nfs/dbraw/zinc/49/15/46/568491546.db2.gz BNIPUMHZYIGHPR-UHFFFAOYSA-N 1 0 424.932 4.261 40 0 HIABRO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1 ZINC000223235496 568541931 /nfs/dbraw/zinc/54/19/31/568541931.db2.gz OFPFTROUZTTWLU-PKTZIBPZSA-N 1 0 419.598 4.105 40 0 HIABRO Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223235174 568541974 /nfs/dbraw/zinc/54/19/74/568541974.db2.gz RQZBFGQZPZBQLB-DHIUTWEWSA-N 1 0 419.598 4.105 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223241686 568542257 /nfs/dbraw/zinc/54/22/57/568542257.db2.gz LZLYMVLMWRJDBM-FCHUYYIVSA-N 1 0 424.545 4.405 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223241350 568542341 /nfs/dbraw/zinc/54/23/41/568542341.db2.gz RSCJKIGNNIPBSD-YADHBBJMSA-N 1 0 406.555 4.266 40 0 HIABRO O=C(CSCc1ccc(Cl)cc1F)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000223278750 568543760 /nfs/dbraw/zinc/54/37/60/568543760.db2.gz UJQLFEHWMNNAPP-UHFFFAOYSA-N 1 0 406.954 4.277 40 0 HIABRO Cc1cccc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1C ZINC000223960332 568564496 /nfs/dbraw/zinc/56/44/96/568564496.db2.gz MENXPTFMASNJNF-HXUWFJFHSA-N 1 0 400.950 4.364 40 0 HIABRO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000224496826 568582792 /nfs/dbraw/zinc/58/27/92/568582792.db2.gz LAWBGESLIUFINU-INIZCTEOSA-N 1 0 416.949 4.447 40 0 HIABRO COc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(OC)c1OC ZINC000224647390 568590437 /nfs/dbraw/zinc/59/04/37/568590437.db2.gz QHLZINSMWDPVBP-ACCUITESSA-N 1 0 424.541 4.028 40 0 HIABRO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000225006822 568608553 /nfs/dbraw/zinc/60/85/53/568608553.db2.gz XPJLPRVODPUJHG-UHFFFAOYSA-N 1 0 413.949 4.027 40 0 HIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225467795 568640755 /nfs/dbraw/zinc/64/07/55/568640755.db2.gz DRMFEIVEURLMIN-NRFANRHFSA-N 1 0 406.570 4.397 40 0 HIABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225561230 568651204 /nfs/dbraw/zinc/65/12/04/568651204.db2.gz JBIGALPDCSDMJQ-OAQYLSRUSA-N 1 0 422.569 4.484 40 0 HIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000225561574 568651503 /nfs/dbraw/zinc/65/15/03/568651503.db2.gz NDFWERMJMHOMBT-UHFFFAOYSA-N 1 0 410.558 4.484 40 0 HIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(Br)cc2F)C1 ZINC000225729357 568668426 /nfs/dbraw/zinc/66/84/26/568668426.db2.gz QUWBDHHIBJLCQQ-BETUJISGSA-N 1 0 402.377 4.243 40 0 HIABRO CCOC(=O)c1cc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1Cl ZINC000225730420 568668709 /nfs/dbraw/zinc/66/87/09/568668709.db2.gz MNHDCFWETXPUAP-GJZGRUSLSA-N 1 0 411.999 4.171 40 0 HIABRO CCc1ncc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)cn1 ZINC000257205785 568777630 /nfs/dbraw/zinc/77/76/30/568777630.db2.gz BANRMQIQVZJSRC-KRWDZBQOSA-N 1 0 408.571 4.381 40 0 HIABRO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(C)cc1)C[N@@H+]2Cc1ccc(Cl)cc1 ZINC000257221902 568782556 /nfs/dbraw/zinc/78/25/56/568782556.db2.gz DRADESAQHHUQIU-DNVJHFABSA-N 1 0 412.961 4.111 40 0 HIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257228335 568784531 /nfs/dbraw/zinc/78/45/31/568784531.db2.gz FTKZRPPRXJDIET-QHCPKHFHSA-N 1 0 423.605 4.275 40 0 HIABRO Cn1cc(CN2CCO[C@@H](c3cccc(Nc4ccc(F)cn4)n3)C2)c2ccccc21 ZINC000257237964 568786875 /nfs/dbraw/zinc/78/68/75/568786875.db2.gz HJABREUXGMLCPL-JOCHJYFZSA-N 1 0 417.488 4.425 40 0 HIABRO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(-c3ccccc3OC)c2)C1 ZINC000257243568 568788444 /nfs/dbraw/zinc/78/84/44/568788444.db2.gz IHOXRTGBSXANKZ-AREMUKBSSA-N 1 0 415.537 4.037 40 0 HIABRO O=C(N1CC[NH2+]C[C@H](COCc2ccccc2)C1)C1(c2ccccc2)CCCCC1 ZINC000257251719 568790701 /nfs/dbraw/zinc/79/07/01/568790701.db2.gz JRXAPKVBYBOEJZ-QHCPKHFHSA-N 1 0 406.570 4.153 40 0 HIABRO O=C(NCC[NH+]1CCCC1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257283171 568799304 /nfs/dbraw/zinc/79/93/04/568799304.db2.gz OXAMSKCWUYVKLL-UHFFFAOYSA-N 1 0 410.533 4.044 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)n1 ZINC000306139167 568900865 /nfs/dbraw/zinc/90/08/65/568900865.db2.gz SRCRJCSUKQKNTN-OAQYLSRUSA-N 1 0 412.541 4.424 40 0 HIABRO Cc1nc2c(n1C(C)C)CN(C(=O)c1ccsc1)CC21CC[NH+](CC(C)C)CC1 ZINC000306139508 568901270 /nfs/dbraw/zinc/90/12/70/568901270.db2.gz SYZSWAUKTIIMCC-UHFFFAOYSA-N 1 0 414.619 4.480 40 0 HIABRO Cc1occc1C(=O)N1Cc2c(nc(C)n2C(C)C)C2(CC[NH+](CC(C)C)CC2)C1 ZINC000306142637 568904318 /nfs/dbraw/zinc/90/43/18/568904318.db2.gz XFEMXKIPKNBDEM-UHFFFAOYSA-N 1 0 412.578 4.319 40 0 HIABRO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009062622 569342183 /nfs/dbraw/zinc/34/21/83/569342183.db2.gz QJPZTNMDDPGNKC-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009062651 569342196 /nfs/dbraw/zinc/34/21/96/569342196.db2.gz BQQGKYMZHVFOON-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 ZINC000009062969 569342225 /nfs/dbraw/zinc/34/22/25/569342225.db2.gz AMSGHXWWKXZCPT-UHFFFAOYSA-N 1 0 407.558 4.374 40 0 HIABRO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009063306 569342314 /nfs/dbraw/zinc/34/23/14/569342314.db2.gz RJSBPYFHQNGHMW-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)ccc1Cl ZINC000009063532 569342480 /nfs/dbraw/zinc/34/24/80/569342480.db2.gz RZOCDLTZUNQBGA-UHFFFAOYSA-N 1 0 404.869 4.116 40 0 HIABRO CC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2c(C)n(C)c3cc(C)ccc32)C1 ZINC000012088836 569344559 /nfs/dbraw/zinc/34/45/59/569344559.db2.gz QBZGFEZFIAQUHO-XMSQKQJNSA-N 1 0 410.587 4.341 40 0 HIABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3ccccc3F)CC2)nc1-c1ccc(F)cc1 ZINC000019698850 569346859 /nfs/dbraw/zinc/34/68/59/569346859.db2.gz MKIPIKKOTSQVGQ-UHFFFAOYSA-N 1 0 410.468 4.094 40 0 HIABRO O=C(c1sc2ncccc2c1[C@H]1CC[N@H+](CC2CCCCC2)C1)N1CCOCC1 ZINC000019702286 569347399 /nfs/dbraw/zinc/34/73/99/569347399.db2.gz UQWQIYRLMQSTPT-SFHVURJKSA-N 1 0 413.587 4.138 40 0 HIABRO Cc1cccc(C)c1OCC[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019702308 569347402 /nfs/dbraw/zinc/34/74/02/569347402.db2.gz OXZUMAJTWDKGEY-SFHVURJKSA-N 1 0 423.582 4.483 40 0 HIABRO CCC[N@@H+]1CCC[C@@](O)(c2nc(C)c(CCOc3ccc(F)c(F)c3)s2)CC1 ZINC000019705440 569347956 /nfs/dbraw/zinc/34/79/56/569347956.db2.gz UCJSGSZMQOBXSV-NRFANRHFSA-N 1 0 410.530 4.435 40 0 HIABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cnc(C(C)C)nc2)cc1 ZINC000019713857 569348528 /nfs/dbraw/zinc/34/85/28/569348528.db2.gz NAURQKOSLQETOD-PKTZIBPZSA-N 1 0 422.573 4.154 40 0 HIABRO [NH3+][C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 ZINC000147112490 569355202 /nfs/dbraw/zinc/35/52/02/569355202.db2.gz NDRGYGLCIPEVCJ-NHCUHLMSSA-N 1 0 409.555 4.331 40 0 HIABRO CC1=C[C@@H](C[NH+]2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442645 291262196 /nfs/dbraw/zinc/26/21/96/291262196.db2.gz LVCGIHKLZJSKIK-VABKMULXSA-N 1 0 424.589 4.233 40 0 biogenic,in-vitro HIABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(/C=C/c5ccc(Cl)cc5)ccc43)C2)CC1 ZINC000004237348 291264100 /nfs/dbraw/zinc/26/41/00/291264100.db2.gz MCLBMQUPBBBFLO-CTXGWYJZSA-N 1 0 423.988 4.185 40 0 biogenic,in-vitro HIABRO CC1=C[C@@H](C[NH2+]Cc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 ZINC000035442739 291262636 /nfs/dbraw/zinc/26/26/36/291262636.db2.gz GDWVHMPNQJUWLQ-ACRUOGEOSA-N 1 0 420.561 4.052 40 0 biogenic,in-vitro HIABRO COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[N@H+](C)CCO)C=C3C)o2)cc1 ZINC000030883250 291265856 /nfs/dbraw/zinc/26/58/56/291265856.db2.gz JDFCFUOYBDKQBJ-ONTIZHBOSA-N 1 0 413.562 4.066 40 0 biogenic,in-vitro HIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)Nc1ccccc1 ZINC000015673549 291269354 /nfs/dbraw/zinc/26/93/54/291269354.db2.gz RYAUTJGVZMGKTD-OALUTQOASA-N 1 0 405.498 4.051 40 0 biogenic,in-vitro HIABRO CC(C)(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012326792 132358789 /nfs/dbraw/zinc/35/87/89/132358789.db2.gz GSNKQNGAVARHFB-LJQANCHMSA-N 1 0 412.496 4.320 40 0 HIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(OC)c(OC)c1 ZINC000044856841 522364110 /nfs/dbraw/zinc/36/41/10/522364110.db2.gz ZIKDOYJODPYUGF-NRFANRHFSA-N 1 0 414.521 4.322 40 0 HIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(OC)c(OC)c1 ZINC000044856821 522366310 /nfs/dbraw/zinc/36/63/10/522366310.db2.gz HMPHBMGWBOBKMD-QFIPXVFZSA-N 1 0 410.558 4.492 40 0 HIABRO Cc1cc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Br ZINC000044872442 525363172 /nfs/dbraw/zinc/36/31/72/525363172.db2.gz VFCJPLFPJMHAFM-UHFFFAOYSA-N 1 0 417.347 4.049 40 0 HIABRO COC(=O)[C@H]1C([NH2+]Cc2ccccc2)=CC(C)(C)[C@@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC000005495843 557657785 /nfs/dbraw/zinc/65/77/85/557657785.db2.gz FQYUUTFBJUKCNY-BHIFYINESA-N 1 0 407.510 4.062 40 0 HIABRO CCn1cc(-c2cc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c3ccccc3n2)cn1 ZINC000035316602 557691449 /nfs/dbraw/zinc/69/14/49/557691449.db2.gz HFRGKCIKDYGGKC-UHFFFAOYSA-N 1 0 405.546 4.113 40 0 HIABRO O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000007875034 557766244 /nfs/dbraw/zinc/76/62/44/557766244.db2.gz MITRAMBGDDZFHL-UHFFFAOYSA-N 1 0 417.303 4.029 40 0 HIABRO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1OCc1ccccc1 ZINC000008470308 557791956 /nfs/dbraw/zinc/79/19/56/557791956.db2.gz APHSOOIBXNUGID-QGZVFWFLSA-N 1 0 406.320 4.305 40 0 HIABRO Cc1nc([C@H]2CCC[N@@H+](C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000019744485 558264978 /nfs/dbraw/zinc/26/49/78/558264978.db2.gz KJXORRSDKZIFKH-IBGZPJMESA-N 1 0 422.548 4.178 40 0 HIABRO COc1ccc(NC(=O)c2cnc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)nc2C)cc1 ZINC000019766215 558278530 /nfs/dbraw/zinc/27/85/30/558278530.db2.gz YENZOGQKMLEJMM-SFHVURJKSA-N 1 0 420.488 4.175 40 0 HIABRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC(c2n[nH]cc2-c2ccncc2)CC1 ZINC000012115968 558328116 /nfs/dbraw/zinc/32/81/16/558328116.db2.gz SAPMWPJCHQPHGC-UHFFFAOYSA-N 1 0 419.529 4.070 40 0 HIABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3OC(C)C)cc12 ZINC000012186458 558345696 /nfs/dbraw/zinc/34/56/96/558345696.db2.gz IYAFJLIYKDOPQQ-UHFFFAOYSA-N 1 0 402.498 4.099 40 0 HIABRO Cc1nc(-c2cc(C)ccc2C)c(CC(=O)N(CC[NH+](C)C)Cc2cccnc2)s1 ZINC000012223126 558356479 /nfs/dbraw/zinc/35/64/79/558356479.db2.gz LBBAXUOMFLLFMS-UHFFFAOYSA-N 1 0 422.598 4.263 40 0 HIABRO O=C(Cc1csc(-c2ccccc2F)n1)N1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000012238129 558358908 /nfs/dbraw/zinc/35/89/08/558358908.db2.gz OAECBZPHBAHICE-GOSISDBHSA-N 1 0 401.551 4.359 40 0 HIABRO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1cc(C)ccc1O2 ZINC000012293215 558366204 /nfs/dbraw/zinc/36/62/04/558366204.db2.gz WSYWKFGNAAFGFH-VXKWHMMOSA-N 1 0 406.526 4.169 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2ccccc2c1 ZINC000012293612 558366742 /nfs/dbraw/zinc/36/67/42/558366742.db2.gz QMYBZWVMAPMUMF-XZOQPEGZSA-N 1 0 407.485 4.363 40 0 HIABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293674 558367073 /nfs/dbraw/zinc/36/70/73/558367073.db2.gz WQPNMAUEGIQXDG-RTWAWAEBSA-N 1 0 417.933 4.123 40 0 HIABRO Cc1c([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)c2ccccc2n1C ZINC000012329219 558384051 /nfs/dbraw/zinc/38/40/51/558384051.db2.gz HZMSOUMGONCFGV-DHIUTWEWSA-N 1 0 420.553 4.179 40 0 HIABRO Cc1cc2c(cc1Cl)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012329642 558384192 /nfs/dbraw/zinc/38/41/92/558384192.db2.gz FQKAESZAVQLTOE-VQTJNVASSA-N 1 0 405.897 4.172 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330192 558385210 /nfs/dbraw/zinc/38/52/10/558385210.db2.gz UCIUUMCCNCAHBU-FCHUYYIVSA-N 1 0 413.945 4.213 40 0 HIABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022467460 558491089 /nfs/dbraw/zinc/49/10/89/558491089.db2.gz ANIOZVGTOILZGI-OUJCMCIWSA-N 1 0 423.041 4.296 40 0 HIABRO CCOc1nc2ccc(N[C@@H](C)CN3CC[NH+](CCc4ccccc4)CC3)cc2s1 ZINC000022858874 558517570 /nfs/dbraw/zinc/51/75/70/558517570.db2.gz FRGQJVICSVLKGH-IBGZPJMESA-N 1 0 424.614 4.356 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)cc1 ZINC000039768671 558686329 /nfs/dbraw/zinc/68/63/29/558686329.db2.gz JKDKOBCVJBYQAU-UHFFFAOYSA-N 1 0 407.558 4.232 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSCc3ccccc3F)CC2)c1 ZINC000039744201 558686940 /nfs/dbraw/zinc/68/69/40/558686940.db2.gz OLMKWWBFLPNJIW-UHFFFAOYSA-N 1 0 400.563 4.396 40 0 HIABRO COc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(OC)cc1Cl ZINC000030942719 558745995 /nfs/dbraw/zinc/74/59/95/558745995.db2.gz IEPOVLZTEMFOFB-HNNXBMFYSA-N 1 0 406.885 4.347 40 0 HIABRO O=C([C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000038851222 558818927 /nfs/dbraw/zinc/81/89/27/558818927.db2.gz RDMJDDAYNBJTOD-IBGZPJMESA-N 1 0 415.940 4.040 40 0 HIABRO Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC[NH+](CCOc3ccccc3)CC1)N2 ZINC000019128987 558845043 /nfs/dbraw/zinc/84/50/43/558845043.db2.gz CBNGHOWNTCKZEO-RBUKOAKNSA-N 1 0 408.468 4.270 40 0 HIABRO Cc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)c2c1 ZINC000019220535 558851615 /nfs/dbraw/zinc/85/16/15/558851615.db2.gz SBFPZZMTQJTCHC-QHCPKHFHSA-N 1 0 404.510 4.318 40 0 HIABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C1 ZINC000019235974 558855149 /nfs/dbraw/zinc/85/51/49/558855149.db2.gz FAPZYTDNYWNEAE-HXUWFJFHSA-N 1 0 417.557 4.301 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1 ZINC000019237167 558856478 /nfs/dbraw/zinc/85/64/78/558856478.db2.gz ATYLQWBFNJVEGU-UHFFFAOYSA-N 1 0 403.448 4.342 40 0 HIABRO O=c1cc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292841 558864583 /nfs/dbraw/zinc/86/45/83/558864583.db2.gz OIDYERNPYHYWPE-OAHLLOKOSA-N 1 0 401.297 4.128 40 0 HIABRO O=C(c1c[nH]nc1C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCCCCC1 ZINC000019348881 558874534 /nfs/dbraw/zinc/87/45/34/558874534.db2.gz OEIGCGUKDJYCMP-UHFFFAOYSA-N 1 0 400.954 4.459 40 0 HIABRO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000019348758 558874554 /nfs/dbraw/zinc/87/45/54/558874554.db2.gz VSAPHICSNURWTC-MAOIWGCQSA-N 1 0 415.537 4.175 40 0 HIABRO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000019401995 558883714 /nfs/dbraw/zinc/88/37/14/558883714.db2.gz RTKRAWAGNFKAGG-XZQOPNAISA-N 1 0 415.537 4.175 40 0 HIABRO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449570 558888069 /nfs/dbraw/zinc/88/80/69/558888069.db2.gz RUUAOWQNGXFYQF-AREMUKBSSA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)n1cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)CCCC(=O)N3)c2ccccc21 ZINC000019454815 558891469 /nfs/dbraw/zinc/89/14/69/558891469.db2.gz FJPIQMVIBFVYHU-WIOPSUGQSA-N 1 0 402.542 4.256 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503354 558900575 /nfs/dbraw/zinc/90/05/75/558900575.db2.gz BFCIBOLFEWQZQS-XMMPIXPASA-N 1 0 414.553 4.057 40 0 HIABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cnc(NC)nc2)C1 ZINC000019522027 558903275 /nfs/dbraw/zinc/90/32/75/558903275.db2.gz CFPSGLQIQGFMQH-CYBMUJFWSA-N 1 0 420.439 4.015 40 0 HIABRO CCn1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c2cc(OC)ccc21 ZINC000019524742 558906128 /nfs/dbraw/zinc/90/61/28/558906128.db2.gz ISZGZLYUQCUXPA-WPUZRXDDSA-N 1 0 405.542 4.185 40 0 HIABRO CCCc1ncc(C[N@@H+]2CC[C@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019525730 558907265 /nfs/dbraw/zinc/90/72/65/558907265.db2.gz IUKOCECZIMDLNJ-HNNXBMFYSA-N 1 0 418.467 4.043 40 0 HIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019528756 558910232 /nfs/dbraw/zinc/91/02/32/558910232.db2.gz MUWSPICDBWVKFS-XMMPIXPASA-N 1 0 422.598 4.110 40 0 HIABRO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019528750 558910243 /nfs/dbraw/zinc/91/02/43/558910243.db2.gz RPUDIBQAUXBSHC-AREMUKBSSA-N 1 0 414.553 4.105 40 0 HIABRO CCOc1cc2c(cc1C[NH+]1CCC([C@H](NC(C)=O)c3ccccn3)CC1)CCC2 ZINC000019532451 558912596 /nfs/dbraw/zinc/91/25/96/558912596.db2.gz NTGWOGGNNDRQOH-VWLOTQADSA-N 1 0 407.558 4.058 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c(F)c1 ZINC000072330387 558934470 /nfs/dbraw/zinc/93/44/70/558934470.db2.gz MOXYPZMOOYKHIW-DVECYGJZSA-N 1 0 413.537 4.345 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)n1 ZINC000072330418 558934523 /nfs/dbraw/zinc/93/45/23/558934523.db2.gz KMNUVGFFIYVUJY-AVRDEDQJSA-N 1 0 406.555 4.230 40 0 HIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([C@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)C1 ZINC000072330589 558935020 /nfs/dbraw/zinc/93/50/20/558935020.db2.gz ONUZYKQENOTARR-RDHLLULRSA-N 1 0 419.569 4.233 40 0 HIABRO COc1ccc(C[NH+]2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)cc1OC ZINC000072336903 558937388 /nfs/dbraw/zinc/93/73/88/558937388.db2.gz KCWXSKWANLMJQY-UHFFFAOYSA-N 1 0 423.561 4.006 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)cc1 ZINC000072337777 558938025 /nfs/dbraw/zinc/93/80/25/558938025.db2.gz DAMWBOGYLLXOCT-CTNGQTDRSA-N 1 0 413.587 4.410 40 0 HIABRO CN1CC[N@H+](Cc2c[nH]c3ccccc23)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589541 558940421 /nfs/dbraw/zinc/94/04/21/558940421.db2.gz TVHCCPDAIDOGNE-HSZRJFAPSA-N 1 0 424.548 4.363 40 0 HIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccc2F)C1 ZINC000019591304 558941700 /nfs/dbraw/zinc/94/17/00/558941700.db2.gz UFIUYUOBIPGWLD-AREMUKBSSA-N 1 0 417.528 4.459 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 ZINC000072346166 558942914 /nfs/dbraw/zinc/94/29/14/558942914.db2.gz DVLIYRYKBBACCW-IBGZPJMESA-N 1 0 419.504 4.203 40 0 HIABRO COc1ccc2c(C[N@@H+]3CC[C@H](c4c5ccccc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072352280 558948523 /nfs/dbraw/zinc/94/85/23/558948523.db2.gz XXBWQFCSZKIBGD-HNNXBMFYSA-N 1 0 419.550 4.490 40 0 HIABRO CCn1cnc2sc(C(=O)Nc3ccc(C[NH+]4CCCCCC4)cc3)c(C)c2c1=O ZINC000019660303 558951596 /nfs/dbraw/zinc/95/15/96/558951596.db2.gz YSTVFJUAQAVLGX-UHFFFAOYSA-N 1 0 424.570 4.415 40 0 HIABRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H]3c3cccc(OC)c3)CC2)cc1 ZINC000019661224 558952267 /nfs/dbraw/zinc/95/22/67/558952267.db2.gz CMTKBXCRVHELAW-DEOSSOPVSA-N 1 0 408.542 4.280 40 0 HIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358543 558954111 /nfs/dbraw/zinc/95/41/11/558954111.db2.gz HYJCEOQEDFCECY-KRWDZBQOSA-N 1 0 420.479 4.210 40 0 HIABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)c1C ZINC000019690019 558959400 /nfs/dbraw/zinc/95/94/00/558959400.db2.gz YHHSYBFLTFOACW-OAQYLSRUSA-N 1 0 408.525 4.211 40 0 HIABRO Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)[nH+]1 ZINC000072372486 558959939 /nfs/dbraw/zinc/95/99/39/558959939.db2.gz AVGHZFPIMVHBMT-NRFANRHFSA-N 1 0 405.477 4.443 40 0 HIABRO CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)CCC[NH+]3CCCCCC3)ccc12 ZINC000072374545 558962286 /nfs/dbraw/zinc/96/22/86/558962286.db2.gz DOQSOZMSJQFCGQ-FQEVSTJZSA-N 1 0 412.582 4.098 40 0 HIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)CC1 ZINC000072375876 558964859 /nfs/dbraw/zinc/96/48/59/558964859.db2.gz BBKGQHFXGBNFQJ-NRFANRHFSA-N 1 0 407.562 4.314 40 0 HIABRO C[C@H](Nc1ncc(C(=O)N2CCCC2)c(CC[NH2+]CC(C)(C)C)n1)c1ccccc1 ZINC000019697773 558965525 /nfs/dbraw/zinc/96/55/25/558965525.db2.gz YMVVZPSYEMOFPQ-SFHVURJKSA-N 1 0 409.578 4.064 40 0 HIABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3cnccn3)n2)c(C)c1C ZINC000072376438 558965837 /nfs/dbraw/zinc/96/58/37/558965837.db2.gz RPEAVVDCIYWWKL-HXUWFJFHSA-N 1 0 404.518 4.281 40 0 HIABRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cncc(Nc3cnccn3)n2)c(C)c1C ZINC000072376439 558965896 /nfs/dbraw/zinc/96/58/96/558965896.db2.gz RPEAVVDCIYWWKL-FQEVSTJZSA-N 1 0 404.518 4.281 40 0 HIABRO CCN(CC)c1cc(C2CC[NH+](Cc3ccccc3F)CC2)nc(-c2cnccn2)n1 ZINC000072391334 558971376 /nfs/dbraw/zinc/97/13/76/558971376.db2.gz QTWLKIROYPXDMJ-UHFFFAOYSA-N 1 0 420.536 4.299 40 0 HIABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393272 558972747 /nfs/dbraw/zinc/97/27/47/558972747.db2.gz XCPGWFDZGAVLEQ-IBGZPJMESA-N 1 0 415.541 4.224 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(C)c3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394055 558973320 /nfs/dbraw/zinc/97/33/20/558973320.db2.gz MEOIACIAOISYGZ-RUZDIDTESA-N 1 0 419.525 4.433 40 0 HIABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)OCO2 ZINC000072398611 558976043 /nfs/dbraw/zinc/97/60/43/558976043.db2.gz RYMUHRDIRPYMPK-JPYJTQIMSA-N 1 0 423.557 4.234 40 0 HIABRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000019718301 558981555 /nfs/dbraw/zinc/98/15/55/558981555.db2.gz BQQHCOBZMMISDO-UHFFFAOYSA-N 1 0 423.520 4.086 40 0 HIABRO Cc1c(C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)sc2[nH]c(C)nc(=O)c12 ZINC000019718940 558982591 /nfs/dbraw/zinc/98/25/91/558982591.db2.gz HIIKEDYVLLOYLY-ZDUSSCGKSA-N 1 0 410.543 4.228 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCCN3C(=O)c3cc(C(C)C)on3)CC2)cc1 ZINC000585100068 559023735 /nfs/dbraw/zinc/02/37/35/559023735.db2.gz DUCXTVGJJQIMSY-DEOSSOPVSA-N 1 0 411.546 4.468 40 0 HIABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](Cc2cc(F)ccc2F)CC3)cs1 ZINC000585100067 559023743 /nfs/dbraw/zinc/02/37/43/559023743.db2.gz DTYOAQCGYGXTDT-OAQYLSRUSA-N 1 0 405.514 4.277 40 0 HIABRO CC(C)c1snnc1C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100415 559024031 /nfs/dbraw/zinc/02/40/31/559024031.db2.gz RSSGZFWCRSKPBL-QFIPXVFZSA-N 1 0 416.566 4.462 40 0 HIABRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)s1 ZINC000585100613 559024198 /nfs/dbraw/zinc/02/41/98/559024198.db2.gz QAQYJPZPQIYXCL-QFIPXVFZSA-N 1 0 401.551 4.446 40 0 HIABRO O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000585109749 559029449 /nfs/dbraw/zinc/02/94/49/559029449.db2.gz OUVWQHIZPBCWCA-SONWIMMPSA-N 1 0 408.517 4.029 40 0 HIABRO COc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3cccs3)CC2)cc1 ZINC000096037071 559090966 /nfs/dbraw/zinc/09/09/66/559090966.db2.gz JTXGZGSUEBLJOQ-UHFFFAOYSA-N 1 0 408.571 4.057 40 0 HIABRO COc1cccc(-c2ccc3nc(C4CC[NH+](CC5CCOCC5)CC4)nn3c2)c1 ZINC000096038238 559091949 /nfs/dbraw/zinc/09/19/49/559091949.db2.gz ODMREXHBYPIJPL-UHFFFAOYSA-N 1 0 406.530 4.011 40 0 HIABRO O=C(CCc1cccnc1)N1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2C1 ZINC000096245524 559105048 /nfs/dbraw/zinc/10/50/48/559105048.db2.gz QPQVVORLPNKCJO-UIOOFZCWSA-N 1 0 411.549 4.272 40 0 HIABRO C[NH+](C)C1CCN(C(=O)c2ccc3onc(-c4coc(-c5cccs5)n4)c3c2)CC1 ZINC000096266500 559107743 /nfs/dbraw/zinc/10/77/43/559107743.db2.gz IDYDUZBECZBAQA-UHFFFAOYSA-N 1 0 422.510 4.378 40 0 HIABRO C[NH+](C)CC(=O)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263344 559112023 /nfs/dbraw/zinc/11/20/23/559112023.db2.gz WEGJHCGJCFCAPZ-UHFFFAOYSA-N 1 0 421.570 4.216 40 0 HIABRO CC[C@H](C)C[N@@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270536 559116407 /nfs/dbraw/zinc/11/64/07/559116407.db2.gz ZBRNOIREPPJJRK-WMZHIEFXSA-N 1 0 422.997 4.239 40 0 HIABRO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCC[N@@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216392 559169564 /nfs/dbraw/zinc/16/95/64/559169564.db2.gz JCRYJRPXXPADMB-JOCHJYFZSA-N 1 0 422.573 4.476 40 0 HIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257224442 559283579 /nfs/dbraw/zinc/28/35/79/559283579.db2.gz FBWBNQFVAKJXEI-FQEVSTJZSA-N 1 0 418.537 4.360 40 0 HIABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257221971 559283670 /nfs/dbraw/zinc/28/36/70/559283670.db2.gz DRILNYQJXJZZSW-XMMPIXPASA-N 1 0 424.560 4.433 40 0 HIABRO O=C(N[C@@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000002137394 560584529 /nfs/dbraw/zinc/58/45/29/560584529.db2.gz IZIOHWSZNUHKRR-NUJGCVRESA-N 1 0 419.780 4.394 40 0 HIABRO CCOCCOc1ccc(C[N@H+](C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000585269706 560741485 /nfs/dbraw/zinc/74/14/85/560741485.db2.gz IDCAOVQTFYRGAT-QFIPXVFZSA-N 1 0 410.558 4.166 40 0 HIABRO Cc1ccccc1NC(=[NH2+])Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1 ZINC000009264454 560758264 /nfs/dbraw/zinc/75/82/64/560758264.db2.gz KLPXYWULXRHUHH-UHFFFAOYSA-N 1 0 422.539 4.439 40 0 HIABRO c1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020121586 560880800 /nfs/dbraw/zinc/88/08/00/560880800.db2.gz LMJDEWCEFNATGG-HSZRJFAPSA-N 1 0 408.594 4.218 40 0 HIABRO Cc1ccc(C)c(N2CCN([C@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)c1 ZINC000057671599 568495257 /nfs/dbraw/zinc/49/52/57/568495257.db2.gz PWTXQUFIUUUVMI-JOCHJYFZSA-N 1 0 424.618 4.309 40 0 HIABRO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222596649 568519806 /nfs/dbraw/zinc/51/98/06/568519806.db2.gz PIULKOQIJVMCAY-IBGZPJMESA-N 1 0 424.932 4.261 40 0 HIABRO Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1 ZINC000223218211 568541402 /nfs/dbraw/zinc/54/14/02/568541402.db2.gz JNWNHVUGVQITET-XZOQPEGZSA-N 1 0 419.598 4.105 40 0 HIABRO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1 ZINC000223235602 568541962 /nfs/dbraw/zinc/54/19/62/568541962.db2.gz OFPFTROUZTTWLU-GOTSBHOMSA-N 1 0 419.598 4.105 40 0 HIABRO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1C ZINC000223281197 568543920 /nfs/dbraw/zinc/54/39/20/568543920.db2.gz DSVINOHLVLXAFT-DHIUTWEWSA-N 1 0 419.598 4.023 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000224167657 568572212 /nfs/dbraw/zinc/57/22/12/568572212.db2.gz WNLGWCOKDQGXID-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000224496780 568582851 /nfs/dbraw/zinc/58/28/51/568582851.db2.gz LAWBGESLIUFINU-MRXNPFEDSA-N 1 0 416.949 4.447 40 0 HIABRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224615529 568588157 /nfs/dbraw/zinc/58/81/57/568588157.db2.gz ZYIAEOCWLQLNSC-UHFFFAOYSA-N 1 0 413.370 4.209 40 0 HIABRO CCn1c2ccc(NC(=O)C3CC[NH+](Cc4ccc(C)cc4)CC3)cc2sc1=O ZINC000225110718 568615018 /nfs/dbraw/zinc/61/50/18/568615018.db2.gz KRSKNPADADSJOD-UHFFFAOYSA-N 1 0 409.555 4.242 40 0 HIABRO COc1ccc(-c2nnc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)s2)cc1 ZINC000225355724 568631177 /nfs/dbraw/zinc/63/11/77/568631177.db2.gz NIFFHQJPSSEGIA-UHFFFAOYSA-N 1 0 408.527 4.452 40 0 HIABRO CCOC(=O)c1cc(N)ccc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225487613 568642037 /nfs/dbraw/zinc/64/20/37/568642037.db2.gz DLKOVOSFFHKNAS-UHFFFAOYSA-N 1 0 415.537 4.357 40 0 HIABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000225772707 568673279 /nfs/dbraw/zinc/67/32/79/568673279.db2.gz NYWHXUVMYMFZKB-UHFFFAOYSA-N 1 0 407.942 4.439 40 0 HIABRO CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OCC[NH+](C)C)c4)OCC[C@@]31C2 ZINC000257247125 568789518 /nfs/dbraw/zinc/78/95/18/568789518.db2.gz IXQCADIRRTZPMS-GNCQFOQZSA-N 1 0 414.590 4.036 40 0 HIABRO Cc1cnc(C(=O)N2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)cn1 ZINC000257266212 568794344 /nfs/dbraw/zinc/79/43/44/568794344.db2.gz MBZZSSWBQACJIJ-KRWDZBQOSA-N 1 0 405.477 4.391 40 0 HIABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4cnc(C)cn4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257279891 568798506 /nfs/dbraw/zinc/79/85/06/568798506.db2.gz OIOKTPIQSOZYBE-JTHBVZDNSA-N 1 0 423.557 4.325 40 0 HIABRO COc1ccccc1/C=C/CN1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257281597 568798883 /nfs/dbraw/zinc/79/88/83/568798883.db2.gz OQBAAGIAXXKXAM-FIYNHDKVSA-N 1 0 420.488 4.455 40 0 HIABRO Cn1nc([C@H]2C[N@H+](CC3CCCCC3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257321512 568810878 /nfs/dbraw/zinc/81/08/78/568810878.db2.gz WBZITFLHSOELEQ-HSZRJFAPSA-N 1 0 401.526 4.134 40 0 HIABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ccncc3)CC2)sc1COc1ccccc1 ZINC000257342887 568817101 /nfs/dbraw/zinc/81/71/01/568817101.db2.gz ZQMQSDGFFNPRSK-HSZRJFAPSA-N 1 0 409.555 4.299 40 0 HIABRO Cc1nc2c(n1C(C)C)CN(C(=O)CC1CC1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306134807 568896705 /nfs/dbraw/zinc/89/67/05/568896705.db2.gz NYOKDJKSBXLJST-UHFFFAOYSA-N 1 0 420.601 4.449 40 0 HIABRO Cc1ccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306137353 568899203 /nfs/dbraw/zinc/89/92/03/568899203.db2.gz QUDGLTYIGFJWNH-REWPJTCUSA-N 1 0 412.603 4.062 40 0 HIABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC(C)C)S3(=O)=O)s1 ZINC000306141875 568903267 /nfs/dbraw/zinc/90/32/67/568903267.db2.gz WIWBKQALWNZCSP-UHFFFAOYSA-N 1 0 404.601 4.354 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000306144624 568906019 /nfs/dbraw/zinc/90/60/19/568906019.db2.gz ZKJFJXVTUWJDOA-DHLKQENFSA-N 1 0 424.589 4.089 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000009063138 569342338 /nfs/dbraw/zinc/34/23/38/569342338.db2.gz SYNIPMAMFARDHH-UHFFFAOYSA-N 1 0 405.542 4.082 40 0 HIABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000009063533 569342416 /nfs/dbraw/zinc/34/24/16/569342416.db2.gz CTOPEWNLHCBGLW-UHFFFAOYSA-N 1 0 404.869 4.116 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c1F ZINC000019567156 569345618 /nfs/dbraw/zinc/34/56/18/569345618.db2.gz OPOBWJKZYGNXNO-WMZHIEFXSA-N 1 0 411.521 4.099 40 0 HIABRO CCN(CC)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+]1Cc1ccncc1 ZINC000019696550 569346797 /nfs/dbraw/zinc/34/67/97/569346797.db2.gz HDESBDZBYBNQFA-VWLOTQADSA-N 1 0 418.541 4.182 40 0 HIABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3ccncc3)CC2)sc1CCOc1ccccc1 ZINC000019704895 569347796 /nfs/dbraw/zinc/34/77/96/569347796.db2.gz KCRUGDQGACZPEP-DEOSSOPVSA-N 1 0 423.582 4.342 40 0 HIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3cc4nc(C)cc(C)n4n3)c2)C1 ZINC000019712230 569348341 /nfs/dbraw/zinc/34/83/41/569348341.db2.gz KUOVLVWXPHFKPE-IRLDBZIGSA-N 1 0 421.545 4.160 40 0 HIABRO CC(C)c1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329018375 571306362 /nfs/dbraw/zinc/30/63/62/571306362.db2.gz NRAMYUJFNVCVHE-GOSISDBHSA-N 1 0 402.542 4.828 40 0 HIABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C3)cc1 ZINC000096269395 291265896 /nfs/dbraw/zinc/26/58/96/291265896.db2.gz LIBIFRLUDOMVMX-IBGZPJMESA-N 1 0 417.431 4.266 40 0 biogenic,in-vitro HIABRO COCC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(OC)cc3)o2)C[C@H]1C(C)C ZINC000030883239 291264396 /nfs/dbraw/zinc/26/43/96/291264396.db2.gz PFDKTQSCFBVAPI-ONTIZHBOSA-N 1 0 413.562 4.378 40 0 biogenic,in-vitro HIABRO CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012326788 132358791 /nfs/dbraw/zinc/35/87/91/132358791.db2.gz GSNKQNGAVARHFB-IBGZPJMESA-N 1 0 412.496 4.320 40 0 HIABRO CCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1OCC ZINC000044882999 520992186 /nfs/dbraw/zinc/99/21/86/520992186.db2.gz BCDSTHGXHGOOMD-HXUWFJFHSA-N 1 0 414.521 4.152 40 0 HIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000044911466 521536817 /nfs/dbraw/zinc/53/68/17/521536817.db2.gz VXPSSTGVSIBDRN-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2)C1 ZINC000044786671 524092928 /nfs/dbraw/zinc/09/29/28/524092928.db2.gz NWWVOLSHPXKBCD-IBGZPJMESA-N 1 0 405.542 4.407 40 0 HIABRO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000044874334 527229760 /nfs/dbraw/zinc/22/97/60/527229760.db2.gz IBXWKDYMNBSLMC-UHFFFAOYSA-N 1 0 413.370 4.458 40 0 HIABRO Cc1cccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c12 ZINC000008582532 557795657 /nfs/dbraw/zinc/79/56/57/557795657.db2.gz XNIPTMXZNZHCBF-UHFFFAOYSA-N 1 0 420.561 4.273 40 0 HIABRO CC1CCN(c2ncc(-c3cncn3[C@@H](CC[NH+](C)C)c3ccccc3)cn2)CC1 ZINC000019720008 558258645 /nfs/dbraw/zinc/25/86/45/558258645.db2.gz WVMUMABHVLCMID-QFIPXVFZSA-N 1 0 404.562 4.118 40 0 HIABRO Cc1c([C@H](C)NC(=O)CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cnn1C ZINC000019748371 558267750 /nfs/dbraw/zinc/26/77/50/558267750.db2.gz PTTWYFLIYGICTK-HNNXBMFYSA-N 1 0 422.495 4.227 40 0 HIABRO CCOc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ccc(C)cn1)CCC2 ZINC000012135303 558333746 /nfs/dbraw/zinc/33/37/46/558333746.db2.gz KQBNTHTZUCUHNR-XZQOPNAISA-N 1 0 406.570 4.397 40 0 HIABRO COc1ccc(C[N@@H+](Cc2cccn2-c2ccccn2)C[C@@H]2CCCO2)cc1OC ZINC000012148067 558338323 /nfs/dbraw/zinc/33/83/23/558338323.db2.gz DBGDXCNPZOCJHK-NRFANRHFSA-N 1 0 407.514 4.071 40 0 HIABRO Cc1[nH]c2cc(C)ccc2c1[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000012293253 558366172 /nfs/dbraw/zinc/36/61/72/558366172.db2.gz JYXFBJJVDMRQTM-VXKWHMMOSA-N 1 0 406.526 4.169 40 0 HIABRO Cc1[nH]c2cc(C)ccc2c1[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000012293249 558366199 /nfs/dbraw/zinc/36/61/99/558366199.db2.gz JYXFBJJVDMRQTM-FGZHOGPDSA-N 1 0 406.526 4.169 40 0 HIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)C1 ZINC000020456202 558369772 /nfs/dbraw/zinc/36/97/72/558369772.db2.gz BMNXFZDGJAETRF-PQCQUMGKSA-N 1 0 417.597 4.390 40 0 HIABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)c1 ZINC000012330134 558385147 /nfs/dbraw/zinc/38/51/47/558385147.db2.gz BVNRXKWUYWWDCR-ZEQRLZLVSA-N 1 0 419.521 4.233 40 0 HIABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)c1 ZINC000012330117 558385224 /nfs/dbraw/zinc/38/52/24/558385224.db2.gz KBPODRPHQQLCPU-NHCUHLMSSA-N 1 0 417.933 4.041 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330268 558385393 /nfs/dbraw/zinc/38/53/93/558385393.db2.gz JCDLAXWECMEKAP-PKTZIBPZSA-N 1 0 411.517 4.089 40 0 HIABRO CCCOc1c(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)cccc1OC ZINC000012344814 558386622 /nfs/dbraw/zinc/38/66/22/558386622.db2.gz SWBMVRFBIOWNBS-UHFFFAOYSA-N 1 0 414.521 4.251 40 0 HIABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000013681025 558566620 /nfs/dbraw/zinc/56/66/20/558566620.db2.gz KQTQXLZERSAJHA-JXMROGBWSA-N 1 0 403.570 4.144 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000039767066 558686091 /nfs/dbraw/zinc/68/60/91/558686091.db2.gz NHYRVPWCCKZSTA-UHFFFAOYSA-N 1 0 419.569 4.472 40 0 HIABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039768905 558686344 /nfs/dbraw/zinc/68/63/44/558686344.db2.gz ASFALJPHHRKXJO-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000039758793 558689632 /nfs/dbraw/zinc/68/96/32/558689632.db2.gz MIPMHTBKHLHKBG-UHFFFAOYSA-N 1 0 415.940 4.040 40 0 HIABRO COc1cc2c(cc1CN(Cc1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1)OCO2 ZINC000036740541 558801936 /nfs/dbraw/zinc/80/19/36/558801936.db2.gz QSXGOFNSXHKUTD-UHFFFAOYSA-N 1 0 411.546 4.130 40 0 HIABRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000038851224 558818873 /nfs/dbraw/zinc/81/88/73/558818873.db2.gz RDMJDDAYNBJTOD-LJQANCHMSA-N 1 0 415.940 4.040 40 0 HIABRO CC(C)(C)c1cc2n(n1)[C@H](C(F)F)C[C@H]([C@@H]1CCC[N@H+](Cc3ccccn3)C1)N2 ZINC000019083913 558840556 /nfs/dbraw/zinc/84/05/56/558840556.db2.gz IIJPQZPWMPBFIO-NXHRZFHOSA-N 1 0 403.521 4.478 40 0 HIABRO COc1ccc(C[NH+]2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)cc1OC ZINC000019118661 558842602 /nfs/dbraw/zinc/84/26/02/558842602.db2.gz VKKWBPQEQBLREB-UHFFFAOYSA-N 1 0 410.543 4.305 40 0 HIABRO Cc1cc(-c2cnc(N3CCCC3)nc2C2CC[NH+](Cc3cccs3)CC2)on1 ZINC000019123257 558844018 /nfs/dbraw/zinc/84/40/18/558844018.db2.gz PDJMJGIEIDGUAW-UHFFFAOYSA-N 1 0 409.559 4.481 40 0 HIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019133468 558845744 /nfs/dbraw/zinc/84/57/44/558845744.db2.gz FLFXLRFQWQQBGS-IBGZPJMESA-N 1 0 407.518 4.160 40 0 HIABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccccc4OCc4cccnc4)C[C@@H]32)nc1 ZINC000019216151 558850269 /nfs/dbraw/zinc/85/02/69/558850269.db2.gz WYAZVBKYDPKMCL-VIICAESSSA-N 1 0 415.537 4.094 40 0 HIABRO COc1cccc2cc(C[NH2+][C@H](Cc3cc(=O)[nH]c(C)n3)c3ccc(F)cc3)oc21 ZINC000019285395 558859878 /nfs/dbraw/zinc/85/98/78/558859878.db2.gz RMTCRXIYRCLZKC-HXUWFJFHSA-N 1 0 407.445 4.046 40 0 HIABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1F ZINC000019292724 558864433 /nfs/dbraw/zinc/86/44/33/558864433.db2.gz SOXWDZIRXNEAJQ-KRWDZBQOSA-N 1 0 424.499 4.125 40 0 HIABRO O=C(c1cccnc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000019337830 558870632 /nfs/dbraw/zinc/87/06/32/558870632.db2.gz UEELPABXTZHOAC-DNVJHFABSA-N 1 0 421.541 4.413 40 0 HIABRO O=C(c1cc2ccccc2o1)N1CCC(O)(C[N@@H+]2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019376263 558882300 /nfs/dbraw/zinc/88/23/00/558882300.db2.gz VSYJPGFZOHFPBN-OAQYLSRUSA-N 1 0 419.525 4.022 40 0 HIABRO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449572 558887950 /nfs/dbraw/zinc/88/79/50/558887950.db2.gz RUUAOWQNGXFYQF-SANMLTNESA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449594 558888032 /nfs/dbraw/zinc/88/80/32/558888032.db2.gz XWFCVBAVSUAPMF-AREMUKBSSA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449637 558888175 /nfs/dbraw/zinc/88/81/75/558888175.db2.gz RVBLKSWCPGBPQS-SANMLTNESA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449611 558888272 /nfs/dbraw/zinc/88/82/72/558888272.db2.gz YOYOYNMDUAMRBR-AREMUKBSSA-N 1 0 414.553 4.103 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccccc2-n2cccn2)C[C@@H]2CCCO2)cc1OC ZINC000057811229 558890958 /nfs/dbraw/zinc/89/09/58/558890958.db2.gz LJUSWBIIJGNZAM-NRFANRHFSA-N 1 0 407.514 4.071 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502841 558900128 /nfs/dbraw/zinc/90/01/28/558900128.db2.gz YYKHHWLXFPRUQC-VWLOTQADSA-N 1 0 414.553 4.057 40 0 HIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019529170 558910819 /nfs/dbraw/zinc/91/08/19/558910819.db2.gz PZXNIIACPUKVFV-XMMPIXPASA-N 1 0 405.567 4.381 40 0 HIABRO Cc1nnsc1C(=O)N1C[C@H](c2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCCC[C@H]21 ZINC000019563513 558923704 /nfs/dbraw/zinc/92/37/04/558923704.db2.gz PTGXAGMULUSHFU-NJDAHSKKSA-N 1 0 410.587 4.241 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019580485 558936105 /nfs/dbraw/zinc/93/61/05/558936105.db2.gz XKFSTTMQVYBXBU-DEOSSOPVSA-N 1 0 405.567 4.333 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)cc1 ZINC000072341425 558939753 /nfs/dbraw/zinc/93/97/53/558939753.db2.gz KKFFWSRPMWWKBY-CTNGQTDRSA-N 1 0 413.587 4.411 40 0 HIABRO CNc1cc([C@@H]2CCC[N@H+](Cc3ccc(OC)cc3F)C2)nc(-c2ccncc2)n1 ZINC000019592274 558943309 /nfs/dbraw/zinc/94/33/09/558943309.db2.gz UXJRNIUVDZRHBR-GOSISDBHSA-N 1 0 407.493 4.108 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(OC)c3)n2)C1 ZINC000072350267 558947228 /nfs/dbraw/zinc/94/72/28/558947228.db2.gz OSIXGGKJARODOX-FQEVSTJZSA-N 1 0 402.542 4.497 40 0 HIABRO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000072352334 558948455 /nfs/dbraw/zinc/94/84/55/558948455.db2.gz VKXIHLRLAANRRG-LJQANCHMSA-N 1 0 408.567 4.310 40 0 HIABRO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1ccc(-n2cnnc2)cc1 ZINC000019659334 558950963 /nfs/dbraw/zinc/95/09/63/558950963.db2.gz UHGDRAUICDQVQY-JOCHJYFZSA-N 1 0 423.948 4.268 40 0 HIABRO O=C(Cc1c[nH]c2ccccc12)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355179 558952638 /nfs/dbraw/zinc/95/26/38/558952638.db2.gz VCAIDFMHNWNDQS-FQEVSTJZSA-N 1 0 416.569 4.051 40 0 HIABRO C[NH+](C)[C@H](CNC(=O)c1cc(-n2cccn2)ccc1Cl)c1cccc(Cl)c1 ZINC000019664997 558955382 /nfs/dbraw/zinc/95/53/82/558955382.db2.gz QHNFBHDQJBWRAY-LJQANCHMSA-N 1 0 403.313 4.212 40 0 HIABRO COc1ccc(CN(C(=O)c2cc(-c3ccc(C)cc3)on2)C2CC[NH+](C)CC2)cc1 ZINC000019665744 558955792 /nfs/dbraw/zinc/95/57/92/558955792.db2.gz AHEZFNZERFVLLZ-UHFFFAOYSA-N 1 0 419.525 4.395 40 0 HIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4cc5c(cc4Cl)OCO5)C3)n2)c1 ZINC000072369895 558956156 /nfs/dbraw/zinc/95/61/56/558956156.db2.gz LJMUMBJHJBJRDW-CQSZACIVSA-N 1 0 413.861 4.117 40 0 HIABRO Cc1c(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000072371460 558958348 /nfs/dbraw/zinc/95/83/48/558958348.db2.gz HMJAYGUUKSCBRS-HXUWFJFHSA-N 1 0 407.562 4.186 40 0 HIABRO COc1ccc2c(c1)C=C(C[NH+]1CCC(c3cc(-c4cn[nH]c4)cc(C)n3)CC1)CO2 ZINC000019692190 558961842 /nfs/dbraw/zinc/96/18/42/558961842.db2.gz OPZDCNUKUKXIDE-UHFFFAOYSA-N 1 0 416.525 4.444 40 0 HIABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000072374918 558963289 /nfs/dbraw/zinc/96/32/89/558963289.db2.gz WHIFVUSJHPELAC-SFHVURJKSA-N 1 0 405.477 4.011 40 0 HIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(Nc3cnccn3)n1)CCC2 ZINC000072375524 558964259 /nfs/dbraw/zinc/96/42/59/558964259.db2.gz LGSMUTCWOULUDN-NRFANRHFSA-N 1 0 401.514 4.450 40 0 HIABRO COc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cncc(Nc4ccccn4)n3)cn(C)c2c1 ZINC000072376407 558965495 /nfs/dbraw/zinc/96/54/95/558965495.db2.gz CTSPLHJDSMGYGF-OAQYLSRUSA-N 1 0 414.513 4.453 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394043 558973201 /nfs/dbraw/zinc/97/32/01/558973201.db2.gz GLUTZJUMVBXZNV-RUZDIDTESA-N 1 0 419.525 4.433 40 0 HIABRO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@@H+]4C[C@H]4CCCO4)CC3)oc21 ZINC000585100856 559025523 /nfs/dbraw/zinc/02/55/23/559025523.db2.gz ZAXHYZFIEGOQGA-NTKDMRAZSA-N 1 0 412.530 4.081 40 0 HIABRO COc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CC[C@H]32)c1 ZINC000585108013 559029777 /nfs/dbraw/zinc/02/97/77/559029777.db2.gz VQXUBBLJQLLBSV-JBJBFBLISA-N 1 0 410.945 4.185 40 0 HIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052799 559092395 /nfs/dbraw/zinc/09/23/95/559092395.db2.gz WKHWVKREIVBMLK-HXUWFJFHSA-N 1 0 410.583 4.018 40 0 HIABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)s1 ZINC000096052807 559092495 /nfs/dbraw/zinc/09/24/95/559092495.db2.gz LXRMLPHGGGKYBO-FQEVSTJZSA-N 1 0 424.610 4.327 40 0 HIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053396 559093319 /nfs/dbraw/zinc/09/33/19/559093319.db2.gz IGZCXDRSPQJABV-FQEVSTJZSA-N 1 0 405.542 4.041 40 0 HIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053480 559093528 /nfs/dbraw/zinc/09/35/28/559093528.db2.gz MVRXNGFMMWXHDR-OAQYLSRUSA-N 1 0 407.558 4.241 40 0 HIABRO COc1cccc(-c2nn(CC3CC3)c3c2[C@H]2C[N@H+](Cc4nccs4)C[C@H]2C3)c1 ZINC000096145664 559097408 /nfs/dbraw/zinc/09/74/08/559097408.db2.gz PPKXERITHVZSOW-MJGOQNOKSA-N 1 0 406.555 4.197 40 0 HIABRO Cc1ccc(NC(=O)c2ncn3c2nccc3C2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000096155682 559099893 /nfs/dbraw/zinc/09/98/93/559099893.db2.gz NBMPLNMGYNLEOT-UHFFFAOYSA-N 1 0 403.530 4.188 40 0 HIABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccccc3N3CCCCC3)C[C@H]2c2ccc(F)cc2)N1 ZINC000585261693 559109055 /nfs/dbraw/zinc/10/90/55/559109055.db2.gz LFJDKNJLNRZHKB-JYFHCDHNSA-N 1 0 421.560 4.454 40 0 HIABRO [NH3+]C1(C(=O)N2CCC(c3cccc(Nc4ncc(-c5ccccc5)s4)n3)CC2)CC1 ZINC000585263102 559111891 /nfs/dbraw/zinc/11/18/91/559111891.db2.gz KBOBQKPSWMMCMN-UHFFFAOYSA-N 1 0 419.554 4.146 40 0 HIABRO CC[C@@H](C)C[N@@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270538 559116497 /nfs/dbraw/zinc/11/64/97/559116497.db2.gz ZBRNOIREPPJJRK-XXBNENTESA-N 1 0 422.997 4.239 40 0 HIABRO 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 559123188 /nfs/dbraw/zinc/12/31/88/559123188.db2.gz NVWJLHGWBSAVHI-PBXDDXTRSA-N 1 0 403.607 4.393 40 0 HIABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@@H](c2cc3ccccc3c(Nc3nccs3)n2)C1 ZINC000585292412 559125178 /nfs/dbraw/zinc/12/51/78/559125178.db2.gz LVAAAEPTMGVQNX-WGLAMXGCSA-N 1 0 421.570 4.259 40 0 HIABRO CC(=O)Oc1ccc(C[C@H](C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000100376956 559134677 /nfs/dbraw/zinc/13/46/77/559134677.db2.gz WYYRXLABEPJODI-SCDRESIJSA-N 1 0 407.510 4.107 40 0 in-man HIABRO CC(C)C(=[NH2+])N[C@@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003109675 559160380 /nfs/dbraw/zinc/16/03/80/559160380.db2.gz YRKVRPKFZPXUKV-LBPRGKRZSA-N 1 0 415.546 4.098 40 0 HIABRO COc1cccc(CC(=O)N2[C@@H]3CCCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)c1 ZINC000257226556 559283795 /nfs/dbraw/zinc/28/37/95/559283795.db2.gz FLDMVLSBPWPBMF-WOKGGPCBSA-N 1 0 418.581 4.371 40 0 HIABRO COc1cccc(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)c1 ZINC000257304494 559286035 /nfs/dbraw/zinc/28/60/35/559286035.db2.gz SLXUDNVAKXYRQC-GAYSTUHSSA-N 1 0 418.581 4.371 40 0 HIABRO C[N@@H+]1CCC[C@H](NC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257301718 559286044 /nfs/dbraw/zinc/28/60/44/559286044.db2.gz RZPWFQGHJMPIBB-QHCPKHFHSA-N 1 0 410.533 4.042 40 0 HIABRO COc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)c1 ZINC000514289931 560031448 /nfs/dbraw/zinc/03/14/48/560031448.db2.gz OPBNGPDDNDPFDF-KYPHJKQUSA-N 1 0 422.569 4.068 40 0 biogenic,in-vitro HIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccc(C)cc3)cc2c1 ZINC000000880587 560539705 /nfs/dbraw/zinc/53/97/05/560539705.db2.gz NUPGWXXKLSRFKE-UHFFFAOYSA-N 1 0 422.598 4.160 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N[C@@H]4CCCC[C@@H]4C)on3)C2)c1 ZINC000409412747 560723019 /nfs/dbraw/zinc/72/30/19/560723019.db2.gz JPEBFZYLMGIAJL-HFSMHLIXSA-N 1 0 411.546 4.371 40 0 HIABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1 ZINC000006548102 560744110 /nfs/dbraw/zinc/74/41/10/560744110.db2.gz SPCLPPSLIOAIAA-UHFFFAOYSA-N 1 0 418.360 4.172 40 0 HIABRO CCOc1cc(C[NH2+]CCOC)cc(Br)c1OCc1ccccc1F ZINC000008254139 560753548 /nfs/dbraw/zinc/75/35/48/560753548.db2.gz GVHQSLHVOSZSGR-UHFFFAOYSA-N 1 0 412.299 4.302 40 0 HIABRO Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020121617 560880869 /nfs/dbraw/zinc/88/08/69/560880869.db2.gz OTSMLEHTLPVIGP-QHCPKHFHSA-N 1 0 408.594 4.136 40 0 HIABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000222716045 568524616 /nfs/dbraw/zinc/52/46/16/568524616.db2.gz MJXJRXTZSHUKRT-MRXNPFEDSA-N 1 0 414.933 4.201 40 0 HIABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1C1CCCC1 ZINC000223263944 568543187 /nfs/dbraw/zinc/54/31/87/568543187.db2.gz LOISNFJSSSEYDH-FGZHOGPDSA-N 1 0 411.619 4.149 40 0 HIABRO Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223847605 568560875 /nfs/dbraw/zinc/56/08/75/568560875.db2.gz TUTMVCLZLCCRPY-VXKWHMMOSA-N 1 0 413.506 4.150 40 0 HIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1Cl ZINC000224167502 568572171 /nfs/dbraw/zinc/57/21/71/568572171.db2.gz SJFPPDQNMVDSSW-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO O=C(Cc1cccc(Br)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224539961 568584102 /nfs/dbraw/zinc/58/41/02/568584102.db2.gz QOBRGGDHIMSXES-UHFFFAOYSA-N 1 0 401.348 4.294 40 0 HIABRO O=C(O[C@@H]1C[NH+]2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 ZINC000000593626 568598636 /nfs/dbraw/zinc/59/86/36/568598636.db2.gz UXZDMXYRRQJIBJ-LJQANCHMSA-N 1 0 408.395 4.480 40 0 HIABRO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)ccc21 ZINC000225055656 568611590 /nfs/dbraw/zinc/61/15/90/568611590.db2.gz QNJVNWSWNXASHP-UHFFFAOYSA-N 1 0 415.946 4.104 40 0 HIABRO Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000225064814 568611912 /nfs/dbraw/zinc/61/19/12/568611912.db2.gz BVPVXVGMCBREIN-OAHLLOKOSA-N 1 0 415.946 4.104 40 0 HIABRO CC(C)(C)N1CC2(c3ccccc3)C[NH+](C(C)(C)C)CC(c3ccccc3)(C1)C2O ZINC000020507184 568619797 /nfs/dbraw/zinc/61/97/97/568619797.db2.gz DRMMDDIKOPEIKF-UHFFFAOYSA-N 1 0 406.614 4.452 40 0 HIABRO Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)cc2)n1 ZINC000225293586 568628444 /nfs/dbraw/zinc/62/84/44/568628444.db2.gz DPEGOUOJSGMIPA-UHFFFAOYSA-N 1 0 418.541 4.274 40 0 HIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225583611 568654297 /nfs/dbraw/zinc/65/42/97/568654297.db2.gz LVSNUYYWAVALMP-LJQANCHMSA-N 1 0 402.608 4.063 40 0 HIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225584689 568654624 /nfs/dbraw/zinc/65/46/24/568654624.db2.gz YVDPRQRZALPHCK-NRFANRHFSA-N 1 0 416.635 4.254 40 0 HIABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000225641615 568659533 /nfs/dbraw/zinc/65/95/33/568659533.db2.gz AZKHDLDAKYQTOB-DEOSSOPVSA-N 1 0 407.558 4.113 40 0 HIABRO COc1cccc2c1OC1(CC[NH+](Cc3scnc3C)CC1)[C@H]1CCCO[C@H]21 ZINC000257216793 568781000 /nfs/dbraw/zinc/78/10/00/568781000.db2.gz CWCBXTGHGOZWGS-FXAWDEMLSA-N 1 0 400.544 4.355 40 0 HIABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc(Cc2ccccc2F)nc1 ZINC000257235091 568786190 /nfs/dbraw/zinc/78/61/90/568786190.db2.gz GWKHWNIWJAZCME-FEVSWUGISA-N 1 0 407.533 4.289 40 0 HIABRO Cc1cccc(C(=O)N2[C@@H]3CCCC[C@@H]4[N@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n1 ZINC000257238800 568787374 /nfs/dbraw/zinc/78/73/74/568787374.db2.gz HMPDPLNDWFSZOS-LSHRBJLDSA-N 1 0 403.570 4.479 40 0 HIABRO CC(C)c1ccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000257273360 568796534 /nfs/dbraw/zinc/79/65/34/568796534.db2.gz NGFJTOWVYWHATR-RTBURBONSA-N 1 0 424.589 4.162 40 0 HIABRO COc1cc(C)c(C[NH+]2CCC(c3cncc(Nc4cnccn4)n3)CC2)c(C)c1C ZINC000257330126 568813170 /nfs/dbraw/zinc/81/31/70/568813170.db2.gz XMYQYDCBWJSQKY-UHFFFAOYSA-N 1 0 418.545 4.324 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)n1 ZINC000306139166 568900833 /nfs/dbraw/zinc/90/08/33/568900833.db2.gz SRCRJCSUKQKNTN-NRFANRHFSA-N 1 0 412.541 4.424 40 0 HIABRO Fc1ccc(-c2cnc3ncn(C4CC[NH+](Cc5ccc(F)c(F)c5)CC4)c3n2)cn1 ZINC000306139496 568901414 /nfs/dbraw/zinc/90/14/14/568901414.db2.gz SYUIPITUZOJSHF-UHFFFAOYSA-N 1 0 424.430 4.143 40 0 HIABRO Cc1c(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329011493 568972546 /nfs/dbraw/zinc/97/25/46/568972546.db2.gz MFPGDTWKTVBKJS-UHFFFAOYSA-N 1 0 415.463 4.032 40 0 HIABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329049578 568974771 /nfs/dbraw/zinc/97/47/71/568974771.db2.gz UQPYKBCVMSOFGC-UHFFFAOYSA-N 1 0 415.463 4.032 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccc2)n1 ZINC000329068054 568975770 /nfs/dbraw/zinc/97/57/70/568975770.db2.gz YNMPBDGXYBHQLR-UHFFFAOYSA-N 1 0 416.356 4.401 40 0 HIABRO CC[C@@H](OC[C@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1)c1ccccc1 ZINC000026781623 569025665 /nfs/dbraw/zinc/02/56/65/569025665.db2.gz XDGHMINXQDHNKB-FYYLOGMGSA-N 1 0 402.966 4.299 40 0 HIABRO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000245229179 569313758 /nfs/dbraw/zinc/31/37/58/569313758.db2.gz PRFWJKBNPGNZOH-AYEXWZOKSA-N 1 0 421.025 4.050 40 0 HIABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CC=CCC4)[nH]c(=O)c3C2)CC1 ZINC000248121638 569316385 /nfs/dbraw/zinc/31/63/85/569316385.db2.gz SDETYPROWHVNFW-PJEKJXDBSA-N 1 0 424.589 4.139 40 0 HIABRO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1OCC ZINC000009062542 569342176 /nfs/dbraw/zinc/34/21/76/569342176.db2.gz LTCCYCFTIGJZFY-UHFFFAOYSA-N 1 0 410.558 4.321 40 0 HIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000009062755 569342285 /nfs/dbraw/zinc/34/22/85/569342285.db2.gz MHHPONAMEGBQCH-QZTJIDSGSA-N 1 0 424.004 4.175 40 0 HIABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009063038 569342340 /nfs/dbraw/zinc/34/23/40/569342340.db2.gz ZXQSRAAYSLEMQH-IBGZPJMESA-N 1 0 407.558 4.374 40 0 HIABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063141 569342370 /nfs/dbraw/zinc/34/23/70/569342370.db2.gz DHXGGASSWFJNTF-LJQANCHMSA-N 1 0 407.558 4.374 40 0 HIABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)OCO2 ZINC000019125551 569345310 /nfs/dbraw/zinc/34/53/10/569345310.db2.gz RYMUHRDIRPYMPK-FDDCHVKYSA-N 1 0 423.557 4.234 40 0 HIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C2CCC2)c2ccccn2)C1 ZINC000019133394 569345330 /nfs/dbraw/zinc/34/53/30/569345330.db2.gz DFYFKYDNKVXCGW-GBXCKJPGSA-N 1 0 407.558 4.268 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c1F ZINC000019567153 569345621 /nfs/dbraw/zinc/34/56/21/569345621.db2.gz OPOBWJKZYGNXNO-AUSIDOKSSA-N 1 0 411.521 4.099 40 0 HIABRO Cc1ccccc1CN1C(=O)CCCC[C@H]2[N@H+](Cc3cccnc3N(C)C)CC[C@]21C ZINC000019713395 569348428 /nfs/dbraw/zinc/34/84/28/569348428.db2.gz JBUZRNRTVNVIIM-ZEQKJWHPSA-N 1 0 420.601 4.392 40 0 HIABRO CCc1ccc2[nH]c(C)c(C[N@@H+]3CC[C@](Cc4cc(C(C)C)no4)(C(=O)NC)C3)c2c1 ZINC000019739238 569348622 /nfs/dbraw/zinc/34/86/22/569348622.db2.gz MMLHYGCILPAXEG-RUZDIDTESA-N 1 0 422.573 4.331 40 0 HIABRO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3CN(C)c2ccccc2)c1 ZINC000008635710 291267504 /nfs/dbraw/zinc/26/75/04/291267504.db2.gz ZNVZYRGDFZIKFP-CNNODRBYSA-N 1 0 424.614 4.377 40 0 biogenic,in-vitro HIABRO Cn1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cccnc3)c4=O)C2)c2ccccc21 ZINC000005396244 291268922 /nfs/dbraw/zinc/26/89/22/291268922.db2.gz QYQRTGBTKFLVCO-AZUAARDMSA-N 1 0 410.521 4.021 40 0 biogenic,in-vitro HIABRO O=C(C1CC1)N1CCCc2cc([C@@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291511 132358043 /nfs/dbraw/zinc/35/80/43/132358043.db2.gz MHDWISNBDOVHFY-VWLOTQADSA-N 1 0 420.528 4.338 40 0 HIABRO COc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044906994 523938040 /nfs/dbraw/zinc/93/80/40/523938040.db2.gz NWTGZNPIHOBRFE-FQEVSTJZSA-N 1 0 400.950 4.310 40 0 HIABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044855657 525553013 /nfs/dbraw/zinc/55/30/13/525553013.db2.gz DNBSQTFQQKYCPS-QFIPXVFZSA-N 1 0 408.542 4.326 40 0 HIABRO O=C(CN1c2cccc3cccc(c23)C1=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874060 526826681 /nfs/dbraw/zinc/82/66/81/526826681.db2.gz NLDLHELKCXHWLM-UHFFFAOYSA-N 1 0 413.521 4.102 40 0 HIABRO Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2cc(Nc3ncccn3)cc(C)[nH+]2)C1 ZINC000072374984 526855384 /nfs/dbraw/zinc/85/53/84/526855384.db2.gz IEEUFDJNEXOYTA-KRWDZBQOSA-N 1 0 420.517 4.363 40 0 HIABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000036719521 527011748 /nfs/dbraw/zinc/01/17/48/527011748.db2.gz DBAKZBZRXBMCFF-XLIONFOSSA-N 1 0 410.518 4.061 40 0 HIABRO Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044932539 527386034 /nfs/dbraw/zinc/38/60/34/527386034.db2.gz FDKNEXMOKPTBAJ-IBGZPJMESA-N 1 0 402.542 4.343 40 0 HIABRO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002292105 557334942 /nfs/dbraw/zinc/33/49/42/557334942.db2.gz KAXRRCKEVIGITN-VOIUYBSRSA-N 1 0 411.546 4.492 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](CC3CC3)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 ZINC000019741427 558262075 /nfs/dbraw/zinc/26/20/75/558262075.db2.gz GYYFWDPOUZVIJS-HXUWFJFHSA-N 1 0 422.548 4.035 40 0 HIABRO Cc1nc([C@@H]2CCC[N@@H+](C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000019744483 558264912 /nfs/dbraw/zinc/26/49/12/558264912.db2.gz KJXORRSDKZIFKH-LJQANCHMSA-N 1 0 422.548 4.178 40 0 HIABRO Cc1c([C@@H](C)NC(=O)CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cnn1C ZINC000019748370 558267743 /nfs/dbraw/zinc/26/77/43/558267743.db2.gz PTTWYFLIYGICTK-OAHLLOKOSA-N 1 0 422.495 4.227 40 0 HIABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019756668 558274525 /nfs/dbraw/zinc/27/45/25/558274525.db2.gz ANAXORRJHYIBEB-HXUWFJFHSA-N 1 0 422.573 4.292 40 0 HIABRO COc1cccc2cc(C[N@@H+]3CC[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)oc21 ZINC000019761068 558276415 /nfs/dbraw/zinc/27/64/15/558276415.db2.gz MULNIOXRFBLRJO-INIZCTEOSA-N 1 0 401.466 4.078 40 0 HIABRO COc1ccc(C[N@@H+](Cc2cn(C)c3ccccc23)C[C@@H]2CCCO2)c(OC)c1OC ZINC000012118232 558329656 /nfs/dbraw/zinc/32/96/56/558329656.db2.gz LVJFCRQXXTVITP-FQEVSTJZSA-N 1 0 424.541 4.385 40 0 HIABRO COc1cccc2ccc(C[NH+]3CCC(NC(C)=O)(c4ccc(F)cc4)CC3)nc21 ZINC000012219483 558355028 /nfs/dbraw/zinc/35/50/28/558355028.db2.gz GSIZIMBYQVLMCM-UHFFFAOYSA-N 1 0 407.489 4.010 40 0 HIABRO Cn1cc([C@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21 ZINC000012241761 558360620 /nfs/dbraw/zinc/36/06/20/558360620.db2.gz ZTUINLVWSJVRFX-OAQYLSRUSA-N 1 0 418.459 4.214 40 0 HIABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1C ZINC000012293527 558366434 /nfs/dbraw/zinc/36/64/34/558366434.db2.gz YHKAIALJSJAFNB-SFTDATJTSA-N 1 0 401.934 4.341 40 0 HIABRO COc1ccc(C[NH+]2CCC(O)(c3cccc(C)c3)CC2)cc1Cn1nc(C)cc1C ZINC000012328305 558383536 /nfs/dbraw/zinc/38/35/36/558383536.db2.gz UMUZVLBUPJPILK-UHFFFAOYSA-N 1 0 419.569 4.349 40 0 HIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2)CC1 ZINC000030751540 558736118 /nfs/dbraw/zinc/73/61/18/558736118.db2.gz FEGCEYQVNIGMFM-UHFFFAOYSA-N 1 0 405.542 4.407 40 0 HIABRO COCCc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740468 558801573 /nfs/dbraw/zinc/80/15/73/558801573.db2.gz KIGRCLFDXJMLKI-UHFFFAOYSA-N 1 0 414.569 4.116 40 0 HIABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834459 558817596 /nfs/dbraw/zinc/81/75/96/558817596.db2.gz GXALRWRDGPAHEZ-SFHVURJKSA-N 1 0 400.906 4.367 40 0 HIABRO Cc1cccc(CSCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038851624 558818879 /nfs/dbraw/zinc/81/88/79/558818879.db2.gz MEPTWRAQGATCJF-OAQYLSRUSA-N 1 0 400.563 4.396 40 0 HIABRO COCCn1c(C)c(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c2ccccc21 ZINC000019216107 558850057 /nfs/dbraw/zinc/85/00/57/558850057.db2.gz BDGGHKYLRVNOOC-UVWWXKGLSA-N 1 0 419.569 4.029 40 0 HIABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4cccc(OCc5ccccn5)c4)C[C@@H]32)nc1 ZINC000019216142 558850247 /nfs/dbraw/zinc/85/02/47/558850247.db2.gz LTZOMVYGODXRFR-LJGDZFJRSA-N 1 0 415.537 4.094 40 0 HIABRO COc1c(C)cccc1C(=O)N(C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019235805 558854911 /nfs/dbraw/zinc/85/49/11/558854911.db2.gz XAJWFYUVIFRMKG-UHFFFAOYSA-N 1 0 408.542 4.281 40 0 HIABRO Cc1nc(C[C@H]([NH2+]Cc2ccc3ncccc3c2)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285346 558859750 /nfs/dbraw/zinc/85/97/50/558859750.db2.gz LSHMCDOFNPBHKY-QFIPXVFZSA-N 1 0 404.901 4.354 40 0 HIABRO Cc1nc2c(c(N3CCC([NH+]4CCC(C)CC4)CC3)n1)CN(Cc1ccccc1)CC2 ZINC000019286189 558860361 /nfs/dbraw/zinc/86/03/61/558860361.db2.gz PAXNHOHULNVWMY-UHFFFAOYSA-N 1 0 419.617 4.044 40 0 HIABRO COc1cccc(-c2cccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)c2)c1 ZINC000019291406 558863897 /nfs/dbraw/zinc/86/38/97/558863897.db2.gz SUDCTECKTQRMFF-XZQOPNAISA-N 1 0 417.553 4.215 40 0 HIABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000019400569 558883232 /nfs/dbraw/zinc/88/32/32/558883232.db2.gz AZGMSVIINPKKRZ-WZONZLPQSA-N 1 0 422.479 4.138 40 0 HIABRO CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019446647 558886338 /nfs/dbraw/zinc/88/63/38/558886338.db2.gz LITUWZJQYZIBIR-JPYJTQIMSA-N 1 0 401.501 4.475 40 0 HIABRO COc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C(C)C)n2)cc1 ZINC000019453484 558890677 /nfs/dbraw/zinc/89/06/77/558890677.db2.gz DIGHLUWQXHAPLO-JOCHJYFZSA-N 1 0 416.525 4.457 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502835 558900052 /nfs/dbraw/zinc/90/00/52/558900052.db2.gz HUDCVZNFSSNGBI-XMMPIXPASA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502839 558900067 /nfs/dbraw/zinc/90/00/67/558900067.db2.gz YYKHHWLXFPRUQC-RUZDIDTESA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503055 558900375 /nfs/dbraw/zinc/90/03/75/558900375.db2.gz KPELFOYWNJHPOG-XMMPIXPASA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502950 558900415 /nfs/dbraw/zinc/90/04/15/558900415.db2.gz ISCBCLWIOYSXKE-VWLOTQADSA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2ccccn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503275 558900540 /nfs/dbraw/zinc/90/05/40/558900540.db2.gz ZVOBJCYRJGQYTL-QHCPKHFHSA-N 1 0 414.553 4.057 40 0 HIABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cnc(NC)nc2)C1 ZINC000019522028 558903188 /nfs/dbraw/zinc/90/31/88/558903188.db2.gz CFPSGLQIQGFMQH-ZDUSSCGKSA-N 1 0 420.439 4.015 40 0 HIABRO Cc1ncsc1-c1nnc([C@@H]2CCC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)o1 ZINC000019562747 558923314 /nfs/dbraw/zinc/92/33/14/558923314.db2.gz KXMRVDBBPFIGGD-GFCCVEGCSA-N 1 0 418.906 4.263 40 0 HIABRO Cc1cnn(CCC(=O)Nc2ccc(Oc3cc(C)nc(C4CC[NH2+]CC4)c3)cc2)c1 ZINC000019570454 558929251 /nfs/dbraw/zinc/92/92/51/558929251.db2.gz JAOXXQVEYPSKGG-UHFFFAOYSA-N 1 0 419.529 4.183 40 0 HIABRO Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCC(C)CC3)o2)n1 ZINC000019574469 558932152 /nfs/dbraw/zinc/93/21/52/558932152.db2.gz CPUPUNAGYLLKAC-QHCPKHFHSA-N 1 0 420.557 4.344 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019579592 558935084 /nfs/dbraw/zinc/93/50/84/558935084.db2.gz NROMFBNFSZNZBI-SANMLTNESA-N 1 0 414.553 4.057 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019580482 558936015 /nfs/dbraw/zinc/93/60/15/558936015.db2.gz XKFSTTMQVYBXBU-XMMPIXPASA-N 1 0 405.567 4.333 40 0 HIABRO O=c1[nH]cc(-c2ccc(Cl)cc2)cc1C[N@@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000072341729 558940026 /nfs/dbraw/zinc/94/00/26/558940026.db2.gz COYPGYCTXODFFN-QFIPXVFZSA-N 1 0 409.917 4.272 40 0 HIABRO COc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@H]2CC[N@H+](C)C2)cc1 ZINC000072352582 558949136 /nfs/dbraw/zinc/94/91/36/558949136.db2.gz NPNLMABFZIBAHB-KRWDZBQOSA-N 1 0 424.566 4.480 40 0 HIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+](CCc4ccccc4)C3)c2)cn1 ZINC000072353596 558950620 /nfs/dbraw/zinc/95/06/20/558950620.db2.gz NVICEKOGOUCCCC-QFIPXVFZSA-N 1 0 414.553 4.234 40 0 HIABRO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000072353757 558950864 /nfs/dbraw/zinc/95/08/64/558950864.db2.gz GIJDPOOHJHUNMM-SFHVURJKSA-N 1 0 412.541 4.301 40 0 HIABRO Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000072371712 558958739 /nfs/dbraw/zinc/95/87/39/558958739.db2.gz NZLMFUGFKGKPFD-GOSISDBHSA-N 1 0 419.504 4.116 40 0 HIABRO CCCn1ncc2ccc([C@@H]3CCCN(C(=O)CC4=CC(C)(C)[NH2+]C(C)(C)C4)C3)nc21 ZINC000072374487 558962223 /nfs/dbraw/zinc/96/22/23/558962223.db2.gz FAKWTHWMURWGGV-HXUWFJFHSA-N 1 0 423.605 4.414 40 0 HIABRO Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000072374915 558963077 /nfs/dbraw/zinc/96/30/77/558963077.db2.gz HQISNTOPUYEFOV-GOSISDBHSA-N 1 0 405.477 4.011 40 0 HIABRO Cc1ccn(CCC(=O)N2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)n1 ZINC000072374944 558963422 /nfs/dbraw/zinc/96/34/22/558963422.db2.gz WTUSCHRAFGOXRY-FQEVSTJZSA-N 1 0 418.545 4.138 40 0 HIABRO CC1(C)CC(CC(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)CC(C)(C)[NH2+]1 ZINC000072375694 558964395 /nfs/dbraw/zinc/96/43/95/558964395.db2.gz OANMAFHAYWJLKE-IBGZPJMESA-N 1 0 422.577 4.226 40 0 HIABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3cccc(C)c3)CC2)nc1-c1ccc(OC)cc1 ZINC000019697007 558964735 /nfs/dbraw/zinc/96/47/35/558964735.db2.gz WPFRQXYDPUOVNH-UHFFFAOYSA-N 1 0 418.541 4.133 40 0 HIABRO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCOCC2)nc2c1CCCN2Cc1ccccc1 ZINC000019706230 558968702 /nfs/dbraw/zinc/96/87/02/558968702.db2.gz HEHRTPHWIUGLPP-QHCPKHFHSA-N 1 0 406.574 4.444 40 0 HIABRO CN(Cc1ccc(-c2ccccc2)cc1)Cc1cc(N(C)C)nc(C2CC[NH2+]CC2)n1 ZINC000019710135 558971917 /nfs/dbraw/zinc/97/19/17/558971917.db2.gz AVWYOTCVCGBFFD-UHFFFAOYSA-N 1 0 415.585 4.309 40 0 HIABRO COc1cccc([C@@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000072399264 558976818 /nfs/dbraw/zinc/97/68/18/558976818.db2.gz NUFVWRDGQUSDGS-QHCPKHFHSA-N 1 0 408.542 4.280 40 0 HIABRO O=C1CCCN1c1ccc(C[N@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000019715955 558977312 /nfs/dbraw/zinc/97/73/12/558977312.db2.gz HJEBVBQVGJBECP-SFHVURJKSA-N 1 0 406.505 4.284 40 0 HIABRO O[C@]1(c2ccc(F)cc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCCC2 ZINC000022408008 558990431 /nfs/dbraw/zinc/99/04/31/558990431.db2.gz GZZAPICYZCVGHE-FQEVSTJZSA-N 1 0 404.303 4.239 40 0 HIABRO CC(C)c1snnc1C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100414 559024021 /nfs/dbraw/zinc/02/40/21/559024021.db2.gz RSSGZFWCRSKPBL-JOCHJYFZSA-N 1 0 416.566 4.462 40 0 HIABRO Cc1ccc(CC(=O)N2CCC3(C[N@H+](Cc4ccccc4)C[C@@]34CCOC4)CC2)cc1 ZINC000585113429 559031240 /nfs/dbraw/zinc/03/12/40/559031240.db2.gz GCGDLXXIJQJBNH-HHHXNRCGSA-N 1 0 418.581 4.069 40 0 HIABRO CC(C)(C)OC(=O)N1CCC(=O)[C@H]2[C@H](c3ccccc3)C[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000095951364 559089321 /nfs/dbraw/zinc/08/93/21/559089321.db2.gz XWUGYUJYBGMVFQ-FIXSFTCYSA-N 1 0 420.553 4.481 40 0 HIABRO C[NH+](C)[C@H]1CCN(C(=O)c2cnc(-c3noc4cc(-c5ccccc5)ccc43)s2)C1 ZINC000096154526 559099013 /nfs/dbraw/zinc/09/90/13/559099013.db2.gz FUTSVZFTFRCLSV-KRWDZBQOSA-N 1 0 418.522 4.394 40 0 HIABRO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000585261971 559109665 /nfs/dbraw/zinc/10/96/65/559109665.db2.gz XAXHMZXDCSSXRH-RUZDIDTESA-N 1 0 403.501 4.168 40 0 HIABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000585290421 559122946 /nfs/dbraw/zinc/12/29/46/559122946.db2.gz WFURHONGDLIAIP-RBZQAINGSA-N 1 0 414.977 4.255 40 0 HIABRO C[N@@H+]1CCC[C@H]1CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257227024 559283801 /nfs/dbraw/zinc/28/38/01/559283801.db2.gz FNHNWOPRSKTHMD-DEOSSOPVSA-N 1 0 424.560 4.433 40 0 HIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000257234721 559284008 /nfs/dbraw/zinc/28/40/08/559284008.db2.gz GUVYIVUVAAOYPV-HSZRJFAPSA-N 1 0 420.553 4.125 40 0 HIABRO C[C@H](C[NH+]1CCCC1)NC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257289064 559285790 /nfs/dbraw/zinc/28/57/90/559285790.db2.gz PWVDAHQPVAUMDT-HXUWFJFHSA-N 1 0 424.560 4.433 40 0 HIABRO C[C@@]1(O)CC[N@H+](CC2CCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289349 560032965 /nfs/dbraw/zinc/03/29/65/560032965.db2.gz ISNGMIDEQIEATD-QNWVGRARSA-N 1 0 416.562 4.374 40 0 biogenic,in-vitro HIABRO CCc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000928177 560557109 /nfs/dbraw/zinc/55/71/09/560557109.db2.gz NJCYAADXNBFMAE-UHFFFAOYSA-N 1 0 422.598 4.160 40 0 HIABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000004041168 560598106 /nfs/dbraw/zinc/59/81/06/560598106.db2.gz LFQOBUGWTJTTGE-UZVXBKDWSA-N 1 0 423.597 4.226 40 0 HIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231193 560602946 /nfs/dbraw/zinc/60/29/46/560602946.db2.gz XXKUZWDSEWTEOD-QFIPXVFZSA-N 1 0 418.541 4.355 40 0 HIABRO COc1ccc(C[NH+]2CCC(CNC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000005001933 560620312 /nfs/dbraw/zinc/62/03/12/560620312.db2.gz HOOFOSAQBGMNOW-UHFFFAOYSA-N 1 0 411.590 4.175 40 0 HIABRO Cc1ccccc1CNC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408861860 560648112 /nfs/dbraw/zinc/64/81/12/560648112.db2.gz VBQOCZOGFKQTEK-UHFFFAOYSA-N 1 0 413.565 4.243 40 0 HIABRO CC(C)CCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019446982 560873125 /nfs/dbraw/zinc/87/31/25/560873125.db2.gz UMHZRXDCIOEYTF-NRFANRHFSA-N 1 0 417.001 4.022 40 0 HIABRO O[C@@H](COc1ccc(C2CCCCC2)cc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022459754 560890921 /nfs/dbraw/zinc/89/09/21/560890921.db2.gz SYXODTJRUWLWOF-RUZDIDTESA-N 1 0 408.586 4.292 40 0 HIABRO Cc1ccc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1F ZINC000022586017 568487177 /nfs/dbraw/zinc/48/71/77/568487177.db2.gz LWCFLSOJRCDYKC-UHFFFAOYSA-N 1 0 417.528 4.480 40 0 HIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)cc2)C1 ZINC000219241113 568488378 /nfs/dbraw/zinc/48/83/78/568488378.db2.gz TZMIAXLSTFPKOT-GOSISDBHSA-N 1 0 404.514 4.241 40 0 HIABRO Cc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222600976 568520094 /nfs/dbraw/zinc/52/00/94/568520094.db2.gz LJJBTDUEKJVSIL-HXUWFJFHSA-N 1 0 422.504 4.055 40 0 HIABRO Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1 ZINC000223218153 568541385 /nfs/dbraw/zinc/54/13/85/568541385.db2.gz JNWNHVUGVQITET-PKTZIBPZSA-N 1 0 419.598 4.105 40 0 HIABRO Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1 ZINC000223218276 568541389 /nfs/dbraw/zinc/54/13/89/568541389.db2.gz JNWNHVUGVQITET-GOTSBHOMSA-N 1 0 419.598 4.105 40 0 HIABRO Fc1cc(Br)ccc1NC(=S)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225743366 568670440 /nfs/dbraw/zinc/67/04/40/568670440.db2.gz CNSYSCGQTWTBKS-UHFFFAOYSA-N 1 0 422.367 4.323 40 0 HIABRO FC(F)(F)c1ccnc(Nc2nccc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000257201249 568776302 /nfs/dbraw/zinc/77/63/02/568776302.db2.gz AGWRALOILOVZJJ-HNNXBMFYSA-N 1 0 400.408 4.019 40 0 HIABRO CCc1ccccc1-c1cccc(CC2(C(=O)NC3CC[NH+](C)CC3)CCOCC2)c1 ZINC000257212298 568779758 /nfs/dbraw/zinc/77/97/58/568779758.db2.gz CCSJXGWHKXKDOZ-UHFFFAOYSA-N 1 0 420.597 4.466 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C(N)=O)cc2)nc1 ZINC000257213492 568779949 /nfs/dbraw/zinc/77/99/49/568779949.db2.gz CHUJMIYNMMXBLP-QFIPXVFZSA-N 1 0 401.514 4.011 40 0 HIABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257222865 568782676 /nfs/dbraw/zinc/78/26/76/568782676.db2.gz DUXUBXNTDJSONG-NRFANRHFSA-N 1 0 406.574 4.074 40 0 HIABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257222866 568782785 /nfs/dbraw/zinc/78/27/85/568782785.db2.gz DUXUBXNTDJSONG-OAQYLSRUSA-N 1 0 406.574 4.074 40 0 HIABRO CNc1cc(C)nc([C@]2(C)CCCN(C(=O)c3ccccc3C[NH+]3CCCCC3)C2)n1 ZINC000257246697 568789218 /nfs/dbraw/zinc/78/92/18/568789218.db2.gz IVKGHHIZAPHXAM-RUZDIDTESA-N 1 0 421.589 4.007 40 0 HIABRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257262732 568793706 /nfs/dbraw/zinc/79/37/06/568793706.db2.gz LMPIVYJNOLCSAQ-DEOSSOPVSA-N 1 0 421.585 4.079 40 0 HIABRO O=C(Nc1cc(CCC2CC[NH+](C3CCOCC3)CC2)ccn1)c1ccc(F)cc1 ZINC000257305493 568806055 /nfs/dbraw/zinc/80/60/55/568806055.db2.gz SQGXUVPCTLCOTB-UHFFFAOYSA-N 1 0 411.521 4.297 40 0 HIABRO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000257311740 568807773 /nfs/dbraw/zinc/80/77/73/568807773.db2.gz UKUNTVSTUSZMBZ-DQEYMECFSA-N 1 0 416.521 4.071 40 0 HIABRO Cc1cccc(CNc2n[nH]c3nc([C@H]4CC[N@H+](Cc5ccccc5F)C4)ccc23)n1 ZINC000257313901 568808307 /nfs/dbraw/zinc/80/83/07/568808307.db2.gz UUPNGUMEDVEEMV-SFHVURJKSA-N 1 0 416.504 4.402 40 0 HIABRO Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4cnc(C)nc4C)C3)c2)sc1C ZINC000257315419 568809036 /nfs/dbraw/zinc/80/90/36/568809036.db2.gz VBFVWAXYFFWDAQ-QGZVFWFLSA-N 1 0 422.558 4.244 40 0 HIABRO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2-c2ccccc2OC)C1 ZINC000257337936 568815365 /nfs/dbraw/zinc/81/53/65/568815365.db2.gz YVBVGUFZZOVLLQ-AREMUKBSSA-N 1 0 415.537 4.037 40 0 HIABRO Cc1nc(CC(=O)N2CCCCC[C@@H]3[N@H+](C)[C@H](Cc4ccccc4)C[C@@]32C)cs1 ZINC000257343033 568817020 /nfs/dbraw/zinc/81/70/20/568817020.db2.gz ZRDYPURJDODRCG-GPXNEJASSA-N 1 0 411.615 4.471 40 0 HIABRO O=C1N(Cc2cccs2)CC[C@@]12C[N@H+](Cc1ccccc1)C[C@H]2c1nccs1 ZINC000306128665 568891473 /nfs/dbraw/zinc/89/14/73/568891473.db2.gz HHTRHXBPXRUMCB-UGKGYDQZSA-N 1 0 409.580 4.223 40 0 HIABRO COCCn1cnc2c1C1(CC[NH+](Cc3ccc(OC)cc3)CC1)Oc1ccccc1-2 ZINC000306130278 568892603 /nfs/dbraw/zinc/89/26/03/568892603.db2.gz JAZUDUXYXYTYDD-UHFFFAOYSA-N 1 0 419.525 4.089 40 0 HIABRO Cc1ccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306137351 568899206 /nfs/dbraw/zinc/89/92/06/568899206.db2.gz QUDGLTYIGFJWNH-NZQKXSOJSA-N 1 0 412.603 4.062 40 0 HIABRO COc1ccccc1[C@@H]1C2=C(NCC[NH+]=C2c2ccccc2)C(=O)N1c1ccccc1 ZINC000001444030 568930597 /nfs/dbraw/zinc/93/05/97/568930597.db2.gz LUZTVNVPBUHWJN-RUZDIDTESA-N 1 0 409.489 4.130 40 0 HIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000005979397 569051940 /nfs/dbraw/zinc/05/19/40/569051940.db2.gz NBSRJFBKIXNCDI-QFIPXVFZSA-N 1 0 424.589 4.165 40 0 HIABRO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063409 569342440 /nfs/dbraw/zinc/34/24/40/569342440.db2.gz SROBWOXIYNZUHG-UHFFFAOYSA-N 1 0 413.949 4.329 40 0 HIABRO O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019014831 569345206 /nfs/dbraw/zinc/34/52/06/569345206.db2.gz RKILYBBUVGMIPN-GCJKJVERSA-N 1 0 424.589 4.140 40 0 HIABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000019348971 569345460 /nfs/dbraw/zinc/34/54/60/569345460.db2.gz DBAKZBZRXBMCFF-FXAWDEMLSA-N 1 0 410.518 4.061 40 0 HIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cc(-c4ccccn4)[nH]n3)cc2)C1 ZINC000019711835 569348208 /nfs/dbraw/zinc/34/82/08/569348208.db2.gz OQGRVAKVEQHSMF-XXBNENTESA-N 1 0 419.529 4.286 40 0 HIABRO CCN(C(=O)c1cn2ccc(C)cc2n1)[C@H]1CCO[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019711786 569348222 /nfs/dbraw/zinc/34/82/22/569348222.db2.gz OPATVQGJTHDXQK-JTHBVZDNSA-N 1 0 420.557 4.087 40 0 HIABRO Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044852765 569351999 /nfs/dbraw/zinc/35/19/99/569351999.db2.gz KGMBMYVTTHILKW-QUCCMNQESA-N 1 0 400.950 4.444 40 0 HIABRO CCN(Cc1ccccc1Cl)C(=O)C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079439677 569397655 /nfs/dbraw/zinc/39/76/55/569397655.db2.gz MJRHAPKDCUOLLY-UHFFFAOYSA-N 1 0 423.985 4.020 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccncc2)n1 ZINC000329016478 571304530 /nfs/dbraw/zinc/30/45/30/571304530.db2.gz NHFLQDKRVGTBPP-UHFFFAOYSA-N 1 0 416.451 4.665 40 0 HIABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccc5ccccc5c3)c4=O)C2)CC1 ZINC000004237289 291263812 /nfs/dbraw/zinc/26/38/12/291263812.db2.gz LEHZTAVXSGVLIS-WMZHIEFXSA-N 1 0 413.565 4.182 40 0 biogenic,in-vitro HIABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cn(C)c5ccccc45)C3)o2)cc1 ZINC000049170251 291263819 /nfs/dbraw/zinc/26/38/19/291263819.db2.gz DXBBLBRBUWJHGW-SFHVURJKSA-N 1 0 401.514 4.284 40 0 biogenic,in-vitro HIABRO COc1ccc(-c2noc([C@@H]3C[C@H]([NH2+]Cc4cc5ccccc5o4)CN3C)n2)cc1 ZINC000035424537 291265944 /nfs/dbraw/zinc/26/59/44/291265944.db2.gz JMMNQAZVWCCXCT-PXNSSMCTSA-N 1 0 404.470 4.026 40 0 biogenic,in-vitro HIABRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3cccs3)nn2C)cc1 ZINC000035415790 291266586 /nfs/dbraw/zinc/26/65/86/291266586.db2.gz PQIBHGTXCNLNFG-ZVDOUQERSA-N 1 0 422.598 4.125 40 0 biogenic,in-vitro HIABRO COc1cc(CC[N@@H+]2CCN(c3ccc(Cl)cc3)[C@@H](C)C2)cc(OC)c1OC ZINC000005336277 132305061 /nfs/dbraw/zinc/30/50/61/132305061.db2.gz NHFOXPNGAVHDLK-INIZCTEOSA-N 1 0 404.938 4.119 40 0 HIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000044911463 521536954 /nfs/dbraw/zinc/53/69/54/521536954.db2.gz BUTKLHCAIMLRGP-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911384 521543571 /nfs/dbraw/zinc/54/35/71/521543571.db2.gz NHLXBVCOKMNBIV-SFHVURJKSA-N 1 0 400.906 4.367 40 0 HIABRO COc1ccccc1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044906605 524401450 /nfs/dbraw/zinc/40/14/50/524401450.db2.gz IZPJRKMXYQKATM-FQEVSTJZSA-N 1 0 400.950 4.310 40 0 HIABRO Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044852455 525310650 /nfs/dbraw/zinc/31/06/50/525310650.db2.gz CPXDLIPEINJTDC-AZUAARDMSA-N 1 0 400.950 4.444 40 0 HIABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000009704241 557144165 /nfs/dbraw/zinc/14/41/65/557144165.db2.gz JGXUUEVGXAQVIM-SFHVURJKSA-N 1 0 422.598 4.248 40 0 HIABRO COC1=NN(c2ccc(C)cc2)/C(=C/C2=[NH+]CCc3cc(OC)c(OC)cc32)S1 ZINC000003851657 557501171 /nfs/dbraw/zinc/50/11/71/557501171.db2.gz WHZCISRGWKNPET-BKUYFWCQSA-N 1 0 409.511 4.370 40 0 HIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000006517668 557706189 /nfs/dbraw/zinc/70/61/89/557706189.db2.gz DQFDNBWFXPOQOO-UHFFFAOYSA-N 1 0 424.614 4.253 40 0 HIABRO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008326272 557782039 /nfs/dbraw/zinc/78/20/39/557782039.db2.gz MYEDERFUBRHBFD-HNNXBMFYSA-N 1 0 412.299 4.036 40 0 HIABRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000012238232 558359160 /nfs/dbraw/zinc/35/91/60/558359160.db2.gz WZJWJXNRDWGFEJ-UHFFFAOYSA-N 1 0 415.509 4.221 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc(F)cc1 ZINC000012293769 558367014 /nfs/dbraw/zinc/36/70/14/558367014.db2.gz VRURWJBJLQCDKA-GOTSBHOMSA-N 1 0 407.485 4.363 40 0 HIABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000012293648 558367060 /nfs/dbraw/zinc/36/70/60/558367060.db2.gz KVRVFFDLTWMDDZ-RTBURBONSA-N 1 0 424.324 4.083 40 0 HIABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330281 558385496 /nfs/dbraw/zinc/38/54/96/558385496.db2.gz JGCDKFNYNJWGSR-DNQXCXABSA-N 1 0 407.554 4.258 40 0 HIABRO O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000013678636 558565325 /nfs/dbraw/zinc/56/53/25/558565325.db2.gz PSOZNNFPGRWGMY-UHFFFAOYSA-N 1 0 417.509 4.448 40 0 HIABRO COc1cc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)ccc1OC(C)C ZINC000039750925 558686985 /nfs/dbraw/zinc/68/69/85/558686985.db2.gz XRSZGBVWPPLHRO-UHFFFAOYSA-N 1 0 410.558 4.319 40 0 HIABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1Cl ZINC000039751254 558687127 /nfs/dbraw/zinc/68/71/27/558687127.db2.gz WAKBAAQLKSPKBM-UHFFFAOYSA-N 1 0 404.869 4.116 40 0 HIABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000028614973 558702311 /nfs/dbraw/zinc/70/23/11/558702311.db2.gz VTFVFBJMJCVOSM-IBGZPJMESA-N 1 0 423.384 4.481 40 0 HIABRO O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030941575 558745642 /nfs/dbraw/zinc/74/56/42/558745642.db2.gz IDTGTHFBWUBICM-HXUWFJFHSA-N 1 0 423.532 4.303 40 0 HIABRO Cc1ccc(CSCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038837238 558818186 /nfs/dbraw/zinc/81/81/86/558818186.db2.gz BJQUHVVGLCOPLU-OAQYLSRUSA-N 1 0 400.563 4.396 40 0 HIABRO Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038853009 558819051 /nfs/dbraw/zinc/81/90/51/558819051.db2.gz YJCOINLWMJUUHF-HXUWFJFHSA-N 1 0 400.563 4.396 40 0 HIABRO O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019014688 558836742 /nfs/dbraw/zinc/83/67/42/558836742.db2.gz LKPXNJAJTBWRRF-OAQYLSRUSA-N 1 0 412.578 4.117 40 0 HIABRO O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019014828 558836963 /nfs/dbraw/zinc/83/69/63/558836963.db2.gz RKILYBBUVGMIPN-PGRDOPGGSA-N 1 0 424.589 4.140 40 0 HIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(N3CCCC3=O)cc2)s1 ZINC000019217151 558850661 /nfs/dbraw/zinc/85/06/61/558850661.db2.gz QDCCSWNWLLGDMK-UHFFFAOYSA-N 1 0 408.571 4.472 40 0 HIABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1Cn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000019219871 558851492 /nfs/dbraw/zinc/85/14/92/558851492.db2.gz JVLODTFUUBFJCD-KRWDZBQOSA-N 1 0 418.463 4.035 40 0 HIABRO Cc1cccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019235176 558854347 /nfs/dbraw/zinc/85/43/47/558854347.db2.gz JCBZIGYWKUFGGP-YTQUADARSA-N 1 0 423.483 4.055 40 0 HIABRO Cc1cccc([C@@H]2CN(C(=O)C3CCCC3)[C@H]3CC[N@H+](Cc4ccncc4)C[C@@H]23)c1 ZINC000019235232 558854376 /nfs/dbraw/zinc/85/43/76/558854376.db2.gz CPBZIJFWORSUMI-SDHOMARFSA-N 1 0 403.570 4.397 40 0 HIABRO Cc1cccc(C[NH+]2CCC([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)n1 ZINC000019236172 558855425 /nfs/dbraw/zinc/85/54/25/558855425.db2.gz SXFYJDVFDNQHIY-DEOSSOPVSA-N 1 0 418.516 4.307 40 0 HIABRO Cc1cccc(C[NH+]2CCC([C@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)n1 ZINC000019236170 558855444 /nfs/dbraw/zinc/85/54/44/558855444.db2.gz XBLUXQLGPGVFNQ-SANMLTNESA-N 1 0 414.553 4.097 40 0 HIABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000019236882 558856013 /nfs/dbraw/zinc/85/60/13/558856013.db2.gz QQCUTALWWZMWCE-XMMPIXPASA-N 1 0 400.526 4.168 40 0 HIABRO Cc1cnn(Cc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCC(C)CC3)o2)c1 ZINC000019240024 558858645 /nfs/dbraw/zinc/85/86/45/558858645.db2.gz ZLRFMWODSGHWNR-QFIPXVFZSA-N 1 0 406.530 4.036 40 0 HIABRO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000013777272 558868453 /nfs/dbraw/zinc/86/84/53/558868453.db2.gz KZMDEOGGKBLHDW-WNSKOXEYSA-N 1 0 415.509 4.323 40 0 HIABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CC[N@@H+](C4CCOCC4)C3)nn21 ZINC000019344225 558872755 /nfs/dbraw/zinc/87/27/55/558872755.db2.gz YJICQAHONGZMOX-CYBMUJFWSA-N 1 0 422.476 4.445 40 0 HIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3N3CCCCC3)C[C@H]2c2ccccn2)N1 ZINC000019349452 558875083 /nfs/dbraw/zinc/87/50/83/558875083.db2.gz AXRPLPPUGHNBSU-BKMJKUGQSA-N 1 0 418.585 4.100 40 0 HIABRO O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019368811 558877459 /nfs/dbraw/zinc/87/74/59/558877459.db2.gz CYEZNGQZYQLCSG-JOCHJYFZSA-N 1 0 420.557 4.240 40 0 HIABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449580 558888047 /nfs/dbraw/zinc/88/80/47/558888047.db2.gz FXVNZXAJICYNLF-SANMLTNESA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449602 558888166 /nfs/dbraw/zinc/88/81/66/558888166.db2.gz IVVWESLIFLCLDV-AREMUKBSSA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449627 558888184 /nfs/dbraw/zinc/88/81/84/558888184.db2.gz LSPDWHKPFODYAI-AREMUKBSSA-N 1 0 414.553 4.103 40 0 HIABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)no2)CC1 ZINC000019496744 558895654 /nfs/dbraw/zinc/89/56/54/558895654.db2.gz YXGUVGBUQVCGFZ-OAQYLSRUSA-N 1 0 418.541 4.475 40 0 HIABRO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)ccc2O1 ZINC000019498012 558896657 /nfs/dbraw/zinc/89/66/57/558896657.db2.gz LPJCWKWWKSWTOG-YWZLYKJASA-N 1 0 421.459 4.046 40 0 HIABRO CCC[NH+]1CCC(N2CCC[C@H]2c2cc3nc(CC)cc(C(F)(F)F)n3n2)CC1 ZINC000019502627 558900162 /nfs/dbraw/zinc/90/01/62/558900162.db2.gz UMLCINHOAMCOBX-SFHVURJKSA-N 1 0 409.500 4.322 40 0 HIABRO CCN(CC)c1ncc(-c2ccc(F)cc2)c(-c2cnc(C3CC[NH2+]CC3)nc2C)n1 ZINC000019526514 558907708 /nfs/dbraw/zinc/90/77/08/558907708.db2.gz KJXUXIBAUOHLID-UHFFFAOYSA-N 1 0 420.536 4.361 40 0 HIABRO CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019529144 558910811 /nfs/dbraw/zinc/91/08/11/558910811.db2.gz TXVIREXLJIDLMN-AREMUKBSSA-N 1 0 414.553 4.023 40 0 HIABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(NC)nc(-c4cccnc4)n3)C2)cc1 ZINC000019533238 558913020 /nfs/dbraw/zinc/91/30/20/558913020.db2.gz UACGECBIGJHZKW-FQEVSTJZSA-N 1 0 403.530 4.359 40 0 HIABRO COc1cc(C[NH+]2CCC(c3nnc(-c4ccsc4)o3)CC2)cc(OC)c1OC ZINC000019549717 558914432 /nfs/dbraw/zinc/91/44/32/558914432.db2.gz PWQQNSVAJCWZMB-UHFFFAOYSA-N 1 0 415.515 4.204 40 0 HIABRO Cc1nc2ccc(Cl)cn2c1C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000019554900 558917912 /nfs/dbraw/zinc/91/79/12/558917912.db2.gz RTUPVCTVCWZRTA-UHFFFAOYSA-N 1 0 410.949 4.075 40 0 HIABRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1CO ZINC000019559353 558920701 /nfs/dbraw/zinc/92/07/01/558920701.db2.gz KWVAUZIQFHNHQW-AREMUKBSSA-N 1 0 419.521 4.352 40 0 HIABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)c1 ZINC000019564935 558925073 /nfs/dbraw/zinc/92/50/73/558925073.db2.gz HXDCBWCJWNWOKH-UHFFFAOYSA-N 1 0 411.527 4.054 40 0 HIABRO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4ccncc4)C[C@@H]32)c1 ZINC000019566383 558926066 /nfs/dbraw/zinc/92/60/66/558926066.db2.gz BHOGMNOHLQQERK-UBFVSLLYSA-N 1 0 419.569 4.097 40 0 HIABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c2c(OC)cccc12 ZINC000019569255 558928321 /nfs/dbraw/zinc/92/83/21/558928321.db2.gz TUPXODQBPFGLAP-UHFFFAOYSA-N 1 0 407.510 4.349 40 0 HIABRO CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019579625 558935284 /nfs/dbraw/zinc/93/52/84/558935284.db2.gz RSAUUVUCMOBFRS-SANMLTNESA-N 1 0 414.553 4.057 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019580516 558936191 /nfs/dbraw/zinc/93/61/91/558936191.db2.gz ZZZGSWUPWHEYCA-XMMPIXPASA-N 1 0 405.567 4.333 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341420 558939787 /nfs/dbraw/zinc/93/97/87/558939787.db2.gz OPTZURDZBWXKDN-FPOVZHCZSA-N 1 0 413.587 4.411 40 0 HIABRO Cc1nc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345545 558942075 /nfs/dbraw/zinc/94/20/75/558942075.db2.gz ZGXLGYYDPFNNMR-LJQANCHMSA-N 1 0 410.537 4.366 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3OC)n2)C1 ZINC000072350270 558947264 /nfs/dbraw/zinc/94/72/64/558947264.db2.gz WGWGIHOXHGBTCD-HXUWFJFHSA-N 1 0 402.542 4.497 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3OC)n2)C1 ZINC000072350269 558947304 /nfs/dbraw/zinc/94/73/04/558947304.db2.gz WGWGIHOXHGBTCD-FQEVSTJZSA-N 1 0 402.542 4.497 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352536 558948982 /nfs/dbraw/zinc/94/89/82/558948982.db2.gz RXCNTQHRWDWSPC-OAHLLOKOSA-N 1 0 404.539 4.137 40 0 HIABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000072354234 558951635 /nfs/dbraw/zinc/95/16/35/558951635.db2.gz WQKRPTWKIUUXGT-XMMPIXPASA-N 1 0 416.569 4.339 40 0 HIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358544 558954126 /nfs/dbraw/zinc/95/41/26/558954126.db2.gz HYJCEOQEDFCECY-QGZVFWFLSA-N 1 0 420.479 4.210 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361004 558955754 /nfs/dbraw/zinc/95/57/54/558955754.db2.gz MGAPHMWQVDUZKF-MRXNPFEDSA-N 1 0 402.523 4.194 40 0 HIABRO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccc5cc(OC)ccc5n4)C3)n2)c1 ZINC000072369903 558956123 /nfs/dbraw/zinc/95/61/23/558956123.db2.gz FYVVFRXBMICTMZ-GOSISDBHSA-N 1 0 416.481 4.292 40 0 HIABRO COc1cc(C[N@@H+]2CC[C@H](c3nc(-c4ccccc4C)no3)C2)cc(OC)c1OC ZINC000072369940 558956162 /nfs/dbraw/zinc/95/61/62/558956162.db2.gz HTPZHSMNOPQLKF-KRWDZBQOSA-N 1 0 409.486 4.060 40 0 HIABRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4)C3)c2)n1 ZINC000019666473 558956290 /nfs/dbraw/zinc/95/62/90/558956290.db2.gz ZHXWOVCGANHSSV-HXUWFJFHSA-N 1 0 422.960 4.362 40 0 HIABRO Cc1nc([C@H]2CCC[N@@H+](C3CCCC3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000072371923 558959325 /nfs/dbraw/zinc/95/93/25/558959325.db2.gz RNDGDWXQWUJVBE-NRFANRHFSA-N 1 0 418.585 4.429 40 0 HIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3cccc(OC)c3)c2)cn1 ZINC000019691034 558960568 /nfs/dbraw/zinc/96/05/68/558960568.db2.gz RQZFNNNNQBVSSO-DEOSSOPVSA-N 1 0 416.525 4.157 40 0 HIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000019694254 558962525 /nfs/dbraw/zinc/96/25/25/558962525.db2.gz SKSZINHONIQRGI-IBGZPJMESA-N 1 0 424.980 4.459 40 0 HIABRO Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)cc(C)[nH+]2)C1 ZINC000072374983 558963447 /nfs/dbraw/zinc/96/34/47/558963447.db2.gz IEEUFDJNEXOYTA-QGZVFWFLSA-N 1 0 420.517 4.363 40 0 HIABRO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ccncc1 ZINC000072380041 558967959 /nfs/dbraw/zinc/96/79/59/558967959.db2.gz LQFSZDFAJRZIJO-IBGZPJMESA-N 1 0 423.582 4.006 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394066 558973220 /nfs/dbraw/zinc/97/32/20/558973220.db2.gz ULKAZFKCCZPOHM-VWLOTQADSA-N 1 0 419.525 4.433 40 0 HIABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2c3cc(C)cnc3[nH]c2C2CC2)CC1 ZINC000072395259 558974136 /nfs/dbraw/zinc/97/41/36/558974136.db2.gz JCDYCLLKPYJFSH-UHFFFAOYSA-N 1 0 402.542 4.376 40 0 HIABRO Cc1cc(C(F)F)n2ncc(C(=O)Nc3cccc(C[NH+]4CCC(C)CC4)c3)c2n1 ZINC000019714901 558975223 /nfs/dbraw/zinc/97/52/23/558975223.db2.gz VTJZSMJFCPXRST-UHFFFAOYSA-N 1 0 413.472 4.460 40 0 HIABRO COc1cccc(-c2nc3sccn3c2C[NH+]2CCC(Cn3ccnc3C)CC2)c1 ZINC000019715783 558976962 /nfs/dbraw/zinc/97/69/62/558976962.db2.gz HCZKGDPBVBCOIJ-UHFFFAOYSA-N 1 0 421.570 4.489 40 0 HIABRO CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[NH+]3CCCC3)CC2)n1 ZINC000257235884 558992634 /nfs/dbraw/zinc/99/26/34/558992634.db2.gz GZYUUYUGZRTPIN-XUTJKUGGSA-N 1 0 421.589 4.148 40 0 HIABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCCN2C(=O)COc2ccccc2C)CC1 ZINC000585099965 559024465 /nfs/dbraw/zinc/02/44/65/559024465.db2.gz BKKAUGNJXBSVRQ-XMMPIXPASA-N 1 0 411.546 4.026 40 0 HIABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(F)cc1F)CC2 ZINC000585099842 559024496 /nfs/dbraw/zinc/02/44/96/559024496.db2.gz GZTZYLXJSVOXDJ-QFIPXVFZSA-N 1 0 403.473 4.117 40 0 HIABRO Fc1ccc(-c2cnc(Nc3cc(C[C@H]4C[NH2+]CCOC4)ccn3)s2)c(F)c1 ZINC000585262989 559111560 /nfs/dbraw/zinc/11/15/60/559111560.db2.gz SPPSADFUQANOOP-AWEZNQCLSA-N 1 0 402.470 4.005 40 0 HIABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3ccc(Cl)c(C)c3)cc2c1 ZINC000585293461 559126028 /nfs/dbraw/zinc/12/60/28/559126028.db2.gz XIZGZCTWRQTCDI-SFHVURJKSA-N 1 0 400.906 4.049 40 0 HIABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113951129 559182964 /nfs/dbraw/zinc/18/29/64/559182964.db2.gz MMRKQPSFDAIROT-DEOSSOPVSA-N 1 0 403.526 4.388 40 0 HIABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000072358899 559186072 /nfs/dbraw/zinc/18/60/72/559186072.db2.gz GRHPAZDGEFISDK-QFIPXVFZSA-N 1 0 400.526 4.055 40 0 HIABRO c1cn2cc(C[C@H]3COCC[N@H+](Cc4ccccc4Oc4ccccc4)C3)ncc2n1 ZINC000257204627 559282343 /nfs/dbraw/zinc/28/23/43/559282343.db2.gz AVOQZMPONWEHGW-HXUWFJFHSA-N 1 0 414.509 4.213 40 0 HIABRO C[C@@H](C[NH+]1CCCC1)NC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257255350 559284582 /nfs/dbraw/zinc/28/45/82/559284582.db2.gz KHCXDGJUILPPQK-FQEVSTJZSA-N 1 0 424.560 4.433 40 0 HIABRO Cc1cccc(NC(=S)N(CC[NH+](C)C)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 ZINC000000884949 560540270 /nfs/dbraw/zinc/54/02/70/560540270.db2.gz YRZCWPBDMRXDIW-UHFFFAOYSA-N 1 0 422.598 4.214 40 0 HIABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000004231208 560602973 /nfs/dbraw/zinc/60/29/73/560602973.db2.gz MUOVKBKNYFNYOB-UHFFFAOYSA-N 1 0 406.530 4.131 40 0 HIABRO CC[NH+](CC)Cc1cc(NC(C)=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000005003999 560620562 /nfs/dbraw/zinc/62/05/62/560620562.db2.gz IRSVFUFGIHMKRH-UHFFFAOYSA-N 1 0 419.319 4.469 40 0 HIABRO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c([O-])c(C[NH+]3CCc4ccccc4C3)coc1=O)C2 ZINC000100796370 560726563 /nfs/dbraw/zinc/72/65/63/560726563.db2.gz XXDKRXKNQDZGPO-QFQXNSOFSA-N 1 0 422.569 4.304 40 0 HIABRO O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006548095 560744037 /nfs/dbraw/zinc/74/40/37/560744037.db2.gz NRGHFDRUNVCMAI-UHFFFAOYSA-N 1 0 401.963 4.382 40 0 HIABRO C[C@H]1C[C@H](C)C[NH+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000013563124 560816155 /nfs/dbraw/zinc/81/61/55/560816155.db2.gz IIPMXTZHHFWNLN-IRXDYDNUSA-N 1 0 419.525 4.394 40 0 HIABRO Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020121801 560880843 /nfs/dbraw/zinc/88/08/43/560880843.db2.gz GWPDQGVMVKKXPX-OAQYLSRUSA-N 1 0 414.985 4.091 40 0 HIABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000216371024 568464765 /nfs/dbraw/zinc/46/47/65/568464765.db2.gz HXGGTBRRUDNOFH-IBGZPJMESA-N 1 0 402.560 4.412 40 0 HIABRO CCOc1c(Br)cc(Br)cc1CNCC[NH+](CC)CC ZINC000022074952 568473954 /nfs/dbraw/zinc/47/39/54/568473954.db2.gz XREMONJGIQJIFG-UHFFFAOYSA-N 1 0 408.178 4.042 40 0 HIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000219408799 568491443 /nfs/dbraw/zinc/49/14/43/568491443.db2.gz OONXADWDJKTJQZ-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO Cc1ccc(-c2noc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)n2)cc1 ZINC000222595709 568519853 /nfs/dbraw/zinc/51/98/53/568519853.db2.gz ZFNFURAASQYDSQ-IBGZPJMESA-N 1 0 424.932 4.227 40 0 HIABRO C[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000222716198 568524563 /nfs/dbraw/zinc/52/45/63/568524563.db2.gz TXHTUAJQCJWGDA-MRXNPFEDSA-N 1 0 414.933 4.201 40 0 HIABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000222716337 568524601 /nfs/dbraw/zinc/52/46/01/568524601.db2.gz DWJSJSAIPKBUME-MRXNPFEDSA-N 1 0 414.933 4.201 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223234735 568541964 /nfs/dbraw/zinc/54/19/64/568541964.db2.gz RBOOARUWPGBUFH-YADHBBJMSA-N 1 0 411.619 4.313 40 0 HIABRO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000223349069 568546123 /nfs/dbraw/zinc/54/61/23/568546123.db2.gz OPTKKOVORBADND-INIZCTEOSA-N 1 0 416.949 4.447 40 0 HIABRO Cc1cc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1Br ZINC000224781741 568596667 /nfs/dbraw/zinc/59/66/67/568596667.db2.gz GFLLBPFVIZEYER-UHFFFAOYSA-N 1 0 417.347 4.049 40 0 HIABRO CCSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)s1 ZINC000225213611 568623828 /nfs/dbraw/zinc/62/38/28/568623828.db2.gz XQJJOEIEZODQBI-UHFFFAOYSA-N 1 0 410.568 4.461 40 0 HIABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 ZINC000225568866 568652246 /nfs/dbraw/zinc/65/22/46/568652246.db2.gz MVRZKMKPFOEHDW-UHFFFAOYSA-N 1 0 410.558 4.403 40 0 HIABRO CCOC(=O)C1(c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000225901842 568684707 /nfs/dbraw/zinc/68/47/07/568684707.db2.gz GEOCPDZEXWCOHC-FQEVSTJZSA-N 1 0 406.526 4.132 40 0 HIABRO CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)[nH]n1 ZINC000257199650 568775906 /nfs/dbraw/zinc/77/59/06/568775906.db2.gz AAGZTNYSNPCWOH-NCDPBEIOSA-N 1 0 420.601 4.499 40 0 HIABRO COc1ccccc1Cc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)ccn1 ZINC000257210233 568779237 /nfs/dbraw/zinc/77/92/37/568779237.db2.gz BTSOVVZLORIAEJ-FHDZUBCWSA-N 1 0 419.569 4.158 40 0 HIABRO O=C1O[C@]2(CN1c1cccc(Cl)c1)COCC[N@H+](Cc1ccnc3ccccc13)C2 ZINC000257218738 568781555 /nfs/dbraw/zinc/78/15/55/568781555.db2.gz DEGPPRBAQPPBCH-HSZRJFAPSA-N 1 0 423.900 4.116 40 0 HIABRO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257244050 568788531 /nfs/dbraw/zinc/78/85/31/568788531.db2.gz IJQMPHBTJHIZGJ-OALUTQOASA-N 1 0 407.562 4.189 40 0 HIABRO 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 568800349 /nfs/dbraw/zinc/80/03/49/568800349.db2.gz PKHJIRLAIKXMFS-NCDPBEIOSA-N 1 0 420.601 4.071 40 0 HIABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](CC4CCOCC4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257296021 568803304 /nfs/dbraw/zinc/80/33/04/568803304.db2.gz RAWJAFIUWFOPBH-JTHBVZDNSA-N 1 0 415.574 4.453 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257298944 568804290 /nfs/dbraw/zinc/80/42/90/568804290.db2.gz RNZSLYXAQLMHEA-OAQYLSRUSA-N 1 0 424.564 4.167 40 0 HIABRO Cc1onc(C(C)C)c1C(=O)N1CCC(c2cc(Nc3ncccn3)cc(C)[nH+]2)CC1 ZINC000257308363 568806890 /nfs/dbraw/zinc/80/68/90/568806890.db2.gz TWLYPOYROIVSEI-UHFFFAOYSA-N 1 0 420.517 4.363 40 0 HIABRO Cn1nc([C@@H]2C[N@H+](CC3CCCCC3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257321513 568810845 /nfs/dbraw/zinc/81/08/45/568810845.db2.gz WBZITFLHSOELEQ-QHCPKHFHSA-N 1 0 401.526 4.134 40 0 HIABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)CC1 ZINC000257339096 568815782 /nfs/dbraw/zinc/81/57/82/568815782.db2.gz ZAESWWJHYDFUCC-IBGZPJMESA-N 1 0 410.537 4.463 40 0 HIABRO CCN(Cc1ccccc1)C(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12 ZINC000306129996 568892385 /nfs/dbraw/zinc/89/23/85/568892385.db2.gz ITQMCQQULHUNEL-UHFFFAOYSA-N 1 0 415.541 4.027 40 0 HIABRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)S1(=O)=O ZINC000306132464 568894708 /nfs/dbraw/zinc/89/47/08/568894708.db2.gz LKEGQPKQIKEDCX-UHFFFAOYSA-N 1 0 402.535 4.123 40 0 HIABRO COc1cccc(C[NH+]2CCC(c3nnc4ccc(-c5cccs5)nn43)CC2)c1 ZINC000306142349 568903977 /nfs/dbraw/zinc/90/39/77/568903977.db2.gz WWQDEFUNWICKCG-UHFFFAOYSA-N 1 0 405.527 4.241 40 0 HIABRO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000027530882 568915935 /nfs/dbraw/zinc/91/59/35/568915935.db2.gz KHCLZOAZTNKUDK-APKLWFBNSA-N 1 0 423.041 4.440 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)n1 ZINC000328973727 568970718 /nfs/dbraw/zinc/97/07/18/568970718.db2.gz FDFRQJLCIKOKFO-UHFFFAOYSA-N 1 0 416.356 4.401 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329039158 568974216 /nfs/dbraw/zinc/97/42/16/568974216.db2.gz RWMHSGXLQLJWMA-UHFFFAOYSA-N 1 0 415.463 4.113 40 0 HIABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1 ZINC000329051898 568974708 /nfs/dbraw/zinc/97/47/08/568974708.db2.gz UYRLDYDAGPNVAF-UHFFFAOYSA-N 1 0 402.329 4.011 40 0 HIABRO CC[NH+]1CCN(Cc2ccc3oc(-c4ccccc4Br)nc3c2)CC1 ZINC000216827803 569025013 /nfs/dbraw/zinc/02/50/13/569025013.db2.gz RFFWNHDAQNBEDJ-UHFFFAOYSA-N 1 0 400.320 4.395 40 0 HIABRO Cc1sc(-n2cccc2)nc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198669 569058986 /nfs/dbraw/zinc/05/89/86/569058986.db2.gz FRKDBYDVVFSDHF-IIZPIQPGSA-N 1 0 422.598 4.277 40 0 HIABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063594 569342442 /nfs/dbraw/zinc/34/24/42/569342442.db2.gz SKDQMJOHHHOBTC-QGZVFWFLSA-N 1 0 411.521 4.205 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000012408184 569344739 /nfs/dbraw/zinc/34/47/39/569344739.db2.gz OPTZURDZBWXKDN-TZIWHRDSSA-N 1 0 413.587 4.411 40 0 HIABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3cccnc3)CC2)sc1COc1ccccc1 ZINC000019695889 569346726 /nfs/dbraw/zinc/34/67/26/569346726.db2.gz MWEVYXHIBQRGRO-QHCPKHFHSA-N 1 0 409.555 4.299 40 0 HIABRO NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](CCCc2ccccc2)CC1 ZINC000019700439 569347178 /nfs/dbraw/zinc/34/71/78/569347178.db2.gz FSVKNVDYWLTVLN-UHFFFAOYSA-N 1 0 413.565 4.491 40 0 HIABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ccncc3)CC2)sc1CCOc1ccccc1 ZINC000019704894 569347822 /nfs/dbraw/zinc/34/78/22/569347822.db2.gz KCRUGDQGACZPEP-XMMPIXPASA-N 1 0 423.582 4.342 40 0 HIABRO COc1ccc(NC(=O)c2cnc([C@@H]3CC[N@H+](Cc4ccccc4C)C3)nc2C)cc1 ZINC000019766210 569349047 /nfs/dbraw/zinc/34/90/47/569349047.db2.gz VPVRSZAIDAXJCU-HXUWFJFHSA-N 1 0 416.525 4.344 40 0 HIABRO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000019766968 569429681 /nfs/dbraw/zinc/42/96/81/569429681.db2.gz JWBDTDCYTCKDCX-QHCPKHFHSA-N 1 0 400.526 4.442 40 0 HIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCC2)Cc2cn(Cc3ccncc3)c3cccc1c23 ZINC000049171622 291261769 /nfs/dbraw/zinc/26/17/69/291261769.db2.gz DVUBKHURRMZQLZ-GOTSBHOMSA-N 1 0 416.569 4.355 40 0 biogenic,in-vitro HIABRO CCCNC(=O)[C@@H]1Cc2cn(Cc3cc(C)on3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171927 291263059 /nfs/dbraw/zinc/26/30/59/291263059.db2.gz HEGZNABQGHQZLH-SFTDATJTSA-N 1 0 408.546 4.114 40 0 biogenic,in-vitro HIABRO Cn1cc(C[NH2+]C[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)c2ccccc21 ZINC000096296372 291268917 /nfs/dbraw/zinc/26/89/17/291268917.db2.gz JPAWSRNMJVGDGM-IBGZPJMESA-N 1 0 406.917 4.384 40 0 biogenic,in-vitro HIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1)Nc1nccs1 ZINC000015673657 291269359 /nfs/dbraw/zinc/26/93/59/291269359.db2.gz VHWXAAWAGFDXDJ-IRXDYDNUSA-N 1 0 402.564 4.051 40 0 biogenic,in-vitro HIABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000022805024 520684833 /nfs/dbraw/zinc/68/48/33/520684833.db2.gz PNNHOMMNUJVHEH-IEEQIXEPSA-N 1 0 421.025 4.050 40 0 HIABRO COc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000044851790 523937437 /nfs/dbraw/zinc/93/74/37/523937437.db2.gz PPLLRGALEVUFNQ-UHFFFAOYSA-N 1 0 410.558 4.298 40 0 HIABRO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044852565 525310431 /nfs/dbraw/zinc/31/04/31/525310431.db2.gz DCNNNEGZDHAMAZ-SFHVURJKSA-N 1 0 400.950 4.444 40 0 HIABRO O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872368 527189526 /nfs/dbraw/zinc/18/95/26/527189526.db2.gz YUQSABTXAFCENL-UHFFFAOYSA-N 1 0 413.370 4.209 40 0 HIABRO CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CC[NH3+])c1=O ZINC000001581999 557273754 /nfs/dbraw/zinc/27/37/54/557273754.db2.gz ZRWJIUKIOOXHOH-UHFFFAOYSA-N 1 0 402.281 4.045 40 0 HIABRO Cc1cccc(NC(=[NH2+])Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)c1 ZINC000010156503 557856022 /nfs/dbraw/zinc/85/60/22/557856022.db2.gz OPIGAGDBIGCMDX-UHFFFAOYSA-N 1 0 422.539 4.439 40 0 HIABRO CNc1cc(CC2CC[NH+](Cc3cccc(-n4nc(C)cc4C)c3)CC2)nc(C)n1 ZINC000019758902 558275426 /nfs/dbraw/zinc/27/54/26/558275426.db2.gz FCXGDBMJYMZMHU-UHFFFAOYSA-N 1 0 404.562 4.084 40 0 HIABRO Cc1cccc(N2CCN(C(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)CC2)c1C ZINC000020104171 558332859 /nfs/dbraw/zinc/33/28/59/558332859.db2.gz CGFKVPKANMHUDZ-FQEVSTJZSA-N 1 0 405.586 4.498 40 0 HIABRO O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020108245 558334245 /nfs/dbraw/zinc/33/42/45/558334245.db2.gz FVFQXIKQZLPCTP-UHFFFAOYSA-N 1 0 422.532 4.361 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]2CCCO2)cc1OC ZINC000012187380 558346254 /nfs/dbraw/zinc/34/62/54/558346254.db2.gz QVRCDFJDKGSJTG-JOCHJYFZSA-N 1 0 407.514 4.071 40 0 HIABRO Cc1cc2c(cc1C)OC1(C=C2)CC[NH+](C[C@@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012188005 558346873 /nfs/dbraw/zinc/34/68/73/558346873.db2.gz LQOHXDJMXPDFOM-OAQYLSRUSA-N 1 0 407.510 4.048 40 0 HIABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293679 558366987 /nfs/dbraw/zinc/36/69/87/558366987.db2.gz WQPNMAUEGIQXDG-LEWJYISDSA-N 1 0 417.933 4.123 40 0 HIABRO Cc1c([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)c2ccccc2n1C ZINC000012329222 558383992 /nfs/dbraw/zinc/38/39/92/558383992.db2.gz HZMSOUMGONCFGV-PKTZIBPZSA-N 1 0 420.553 4.179 40 0 HIABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330180 558385060 /nfs/dbraw/zinc/38/50/60/558385060.db2.gz RFZPPCQGGIFNDP-ZEQRLZLVSA-N 1 0 407.554 4.176 40 0 HIABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCCC4)CC1)O2 ZINC000012330283 558385409 /nfs/dbraw/zinc/38/54/09/558385409.db2.gz JGCDKFNYNJWGSR-RPWUZVMVSA-N 1 0 407.554 4.258 40 0 HIABRO Cc1nn(-c2ccccc2C)c(C)c1CC(=O)N1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000012346050 558386479 /nfs/dbraw/zinc/38/64/79/558386479.db2.gz WKPRQCVQZJBNNJ-QFIPXVFZSA-N 1 0 408.590 4.207 40 0 HIABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000012362957 558387527 /nfs/dbraw/zinc/38/75/27/558387527.db2.gz WPBQZWVVKXBPAI-GOSISDBHSA-N 1 0 401.576 4.050 40 0 HIABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022467466 558491081 /nfs/dbraw/zinc/49/10/81/558491081.db2.gz ANIOZVGTOILZGI-GMHONNGPSA-N 1 0 423.041 4.296 40 0 HIABRO CC(C)CNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039767364 558686194 /nfs/dbraw/zinc/68/61/94/558686194.db2.gz PCYXRWPRKQREGH-UHFFFAOYSA-N 1 0 411.521 4.062 40 0 HIABRO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039750785 558687136 /nfs/dbraw/zinc/68/71/36/558687136.db2.gz RSPLPUVNTYJTIG-UHFFFAOYSA-N 1 0 400.563 4.396 40 0 HIABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)CC1 ZINC000030944714 558746182 /nfs/dbraw/zinc/74/61/82/558746182.db2.gz DGKFBKMDABKKPW-VMPITWQZSA-N 1 0 417.597 4.390 40 0 HIABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000035590760 558793933 /nfs/dbraw/zinc/79/39/33/558793933.db2.gz BPFFYMYJLQEEOZ-TUUKDFBESA-N 1 0 406.998 4.054 40 0 HIABRO CC1(C)CC(N(Cc2ccncc2)Cc2coc3ccccc3c2=O)CC(C)(C)[NH2+]1 ZINC000036740557 558801828 /nfs/dbraw/zinc/80/18/28/558801828.db2.gz YELUUKJJKQGABX-UHFFFAOYSA-N 1 0 405.542 4.499 40 0 HIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019081932 558840054 /nfs/dbraw/zinc/84/00/54/558840054.db2.gz GLEYODWIWYUORN-UWJYYQICSA-N 1 0 401.501 4.475 40 0 HIABRO CC(C)(C)c1[nH]c2ncccc2c1C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000019083443 558840579 /nfs/dbraw/zinc/84/05/79/558840579.db2.gz ZHYAFAGXYSOTCK-UHFFFAOYSA-N 1 0 407.514 4.073 40 0 HIABRO CC(C)(C[NH+]1CCCCCC1)NC(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019084932 558840939 /nfs/dbraw/zinc/84/09/39/558840939.db2.gz ULGWGNOXCQPOES-UHFFFAOYSA-N 1 0 403.530 4.076 40 0 HIABRO COc1ccc(OC)c(C[NH2+][C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)c1 ZINC000019217352 558850686 /nfs/dbraw/zinc/85/06/86/558850686.db2.gz JEZMFFHPJGXPFK-DENIHFKCSA-N 1 0 414.571 4.306 40 0 HIABRO Cc1cccc(C[N@H+]2CCC[C@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019234978 558854109 /nfs/dbraw/zinc/85/41/09/558854109.db2.gz JZOGPXCTMRWNJS-NRFANRHFSA-N 1 0 416.573 4.165 40 0 HIABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019236848 558856055 /nfs/dbraw/zinc/85/60/55/558856055.db2.gz LXFLZVAOCGTPQK-GBXCKJPGSA-N 1 0 400.526 4.168 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)n1 ZINC000019236837 558856117 /nfs/dbraw/zinc/85/61/17/558856117.db2.gz KGXLHKJEJKZVDI-PXDATVDWSA-N 1 0 414.553 4.477 40 0 HIABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000019236883 558856325 /nfs/dbraw/zinc/85/63/25/558856325.db2.gz LLRVYLPPMGWCIR-DEOSSOPVSA-N 1 0 400.526 4.168 40 0 HIABRO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000019293408 558865165 /nfs/dbraw/zinc/86/51/65/558865165.db2.gz QXSVQCDDYQXVHJ-GOSISDBHSA-N 1 0 410.905 4.033 40 0 HIABRO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC000019339252 558871275 /nfs/dbraw/zinc/87/12/75/558871275.db2.gz APRRUWRYKIMZFM-VABKMULXSA-N 1 0 421.541 4.413 40 0 HIABRO OC1(c2ccc(C(F)(F)F)cc2)CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC000019348853 558874525 /nfs/dbraw/zinc/87/45/25/558874525.db2.gz HIASZBSSXWFOID-UHFFFAOYSA-N 1 0 401.432 4.375 40 0 HIABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)Cc3cnc(C(C)C)nc3)CC2)C1 ZINC000019453912 558891310 /nfs/dbraw/zinc/89/13/10/558891310.db2.gz BZVRZUPBJSTGIU-UHFFFAOYSA-N 1 0 422.573 4.154 40 0 HIABRO CCn1c2ccc(NC(=O)C3CC[NH+](CCc4ccccn4)CC3)cc2nc1C(C)C ZINC000019524245 558905556 /nfs/dbraw/zinc/90/55/56/558905556.db2.gz LKOALIJLQVNWSI-UHFFFAOYSA-N 1 0 419.573 4.468 40 0 HIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1c(C)nn(Cc2ccccc2)c1C)Cc1cccnc1 ZINC000019527186 558908367 /nfs/dbraw/zinc/90/83/67/558908367.db2.gz RYJCSKHRVYUBAT-VWLOTQADSA-N 1 0 417.601 4.430 40 0 HIABRO Cc1ncc(C(=O)N2C[C@H](c3ccc(C[NH+]4CCCC4)cc3)[C@H]3CCCC[C@H]32)c(C)n1 ZINC000019552512 558916033 /nfs/dbraw/zinc/91/60/33/558916033.db2.gz IVCVJFOTOHRPOX-QLBJFCOMSA-N 1 0 418.585 4.488 40 0 HIABRO COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCC1 ZINC000019570548 558929205 /nfs/dbraw/zinc/92/92/05/558929205.db2.gz FDFKVWVIALGQJN-FKBYEOEOSA-N 1 0 410.583 4.373 40 0 HIABRO Cc1oc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cc1C[NH+]1CCCC1 ZINC000019582476 558937386 /nfs/dbraw/zinc/93/73/86/558937386.db2.gz HBLSCCVPOMUYAD-GOSISDBHSA-N 1 0 400.494 4.254 40 0 HIABRO Cc1oc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)cc1C[NH+]1CCCC1 ZINC000019582478 558937400 /nfs/dbraw/zinc/93/74/00/558937400.db2.gz HBLSCCVPOMUYAD-SFHVURJKSA-N 1 0 400.494 4.254 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 ZINC000072341497 558940045 /nfs/dbraw/zinc/94/00/45/558940045.db2.gz UCGLGLADPNAPFW-HXUWFJFHSA-N 1 0 407.518 4.160 40 0 HIABRO CNc1cc([C@H]2CCC[N@H+](Cc3ccc(OC)cc3F)C2)nc(-c2ccncc2)n1 ZINC000019592275 558943321 /nfs/dbraw/zinc/94/33/21/558943321.db2.gz UXJRNIUVDZRHBR-SFHVURJKSA-N 1 0 407.493 4.108 40 0 HIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351286 558947686 /nfs/dbraw/zinc/94/76/86/558947686.db2.gz YMTKDAKARQKANZ-NZQKXSOJSA-N 1 0 423.605 4.297 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352547 558948945 /nfs/dbraw/zinc/94/89/45/558948945.db2.gz BDSIRFNZKHXXCJ-KRWDZBQOSA-N 1 0 402.523 4.194 40 0 HIABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352538 558948971 /nfs/dbraw/zinc/94/89/71/558948971.db2.gz LRMLMXLUVIWHOU-INIZCTEOSA-N 1 0 418.566 4.479 40 0 HIABRO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1ccc(-n2cnnc2)cc1 ZINC000019659336 558950902 /nfs/dbraw/zinc/95/09/02/558950902.db2.gz UHGDRAUICDQVQY-QFIPXVFZSA-N 1 0 423.948 4.268 40 0 HIABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(O)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072355006 558952289 /nfs/dbraw/zinc/95/22/89/558952289.db2.gz RQQDHZHWOCESOP-QGZVFWFLSA-N 1 0 422.916 4.386 40 0 HIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4cc5c(cc4Cl)OCO5)C3)n2)c1 ZINC000072369896 558956142 /nfs/dbraw/zinc/95/61/42/558956142.db2.gz LJMUMBJHJBJRDW-AWEZNQCLSA-N 1 0 413.861 4.117 40 0 HIABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)CCC[NH+]2CCCCCC2)n1 ZINC000072372663 558960345 /nfs/dbraw/zinc/96/03/45/558960345.db2.gz FTJDIAXKQNSNPX-JOCHJYFZSA-N 1 0 422.577 4.243 40 0 HIABRO COCCc1ncc(CN2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)cn1 ZINC000072372700 558960702 /nfs/dbraw/zinc/96/07/02/558960702.db2.gz VJXKQBXGBXTNRN-FQEVSTJZSA-N 1 0 424.574 4.215 40 0 HIABRO CC[C@@H](C(=O)N1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1)[NH+]1CCCC1 ZINC000072374353 558961922 /nfs/dbraw/zinc/96/19/22/558961922.db2.gz QXZKMUCJUCUBQP-QFIPXVFZSA-N 1 0 407.562 4.109 40 0 HIABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000019695206 558963723 /nfs/dbraw/zinc/96/37/23/558963723.db2.gz RKPFNIQVYQBPSF-UHFFFAOYSA-N 1 0 421.589 4.068 40 0 HIABRO C[C@@H](Nc1ncc(C(=O)N2CCCC2)c(CC[NH2+]C2CCCCC2)n1)c1ccccc1 ZINC000019697830 558965533 /nfs/dbraw/zinc/96/55/33/558965533.db2.gz SXQAJSKFKMUITL-LJQANCHMSA-N 1 0 421.589 4.351 40 0 HIABRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)C1(c2ccccc2F)CCOCC1 ZINC000072391821 558971727 /nfs/dbraw/zinc/97/17/27/558971727.db2.gz PBQVFEFTMNDUCU-HSZRJFAPSA-N 1 0 410.533 4.217 40 0 HIABRO Cc1ncc(C(=O)NC2CC[NH+](CC3(c4ccc(Cl)cc4)CCC3)CC2)c(C)n1 ZINC000072393406 558973000 /nfs/dbraw/zinc/97/30/00/558973000.db2.gz UUZNXSQHXVNZJJ-UHFFFAOYSA-N 1 0 412.965 4.063 40 0 HIABRO CCn1cnc2sc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)c(C)c2c1=O ZINC000019717375 558980106 /nfs/dbraw/zinc/98/01/06/558980106.db2.gz ZEONBAWRSRWMGW-OAHLLOKOSA-N 1 0 424.570 4.413 40 0 HIABRO CC(C)c1snnc1C(=O)NC1CC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000585102939 559026257 /nfs/dbraw/zinc/02/62/57/559026257.db2.gz JQJGQNOBNLVIKA-UHFFFAOYSA-N 1 0 420.529 4.114 40 0 HIABRO FC(F)(F)c1ccc2ncc(-c3cccc(C[C@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585263100 559111902 /nfs/dbraw/zinc/11/19/02/559111902.db2.gz KAFUWDFLNFAJME-OAHLLOKOSA-N 1 0 416.447 4.116 40 0 HIABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3ccc(Cl)c(C)c3)cc2c1 ZINC000585293459 559126008 /nfs/dbraw/zinc/12/60/08/559126008.db2.gz XIZGZCTWRQTCDI-GOSISDBHSA-N 1 0 400.906 4.049 40 0 HIABRO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000880664 560539682 /nfs/dbraw/zinc/53/96/82/560539682.db2.gz QZRLKZDAZGEWKA-UHFFFAOYSA-N 1 0 422.598 4.214 40 0 HIABRO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1 ZINC000000885098 560540814 /nfs/dbraw/zinc/54/08/14/560540814.db2.gz XLQPQVSCYWYPEO-UHFFFAOYSA-N 1 0 422.598 4.214 40 0 HIABRO COc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000005002286 560620278 /nfs/dbraw/zinc/62/02/78/560620278.db2.gz SOICXBBYRALCOZ-BQYQJAHWSA-O 1 0 409.893 4.361 40 0 HIABRO C[C@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075823 568474126 /nfs/dbraw/zinc/47/41/26/568474126.db2.gz VIPSJBRHACFGJZ-ZDUSSCGKSA-N 1 0 417.764 4.286 40 0 HIABRO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)n2)cc1 ZINC000219410304 568491566 /nfs/dbraw/zinc/49/15/66/568491566.db2.gz DLRTXFLWIOSEQX-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223248168 568542518 /nfs/dbraw/zinc/54/25/18/568542518.db2.gz JDZQPULCOKSYGE-FGZHOGPDSA-N 1 0 411.619 4.313 40 0 HIABRO O=C(NCCOc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223569452 568551925 /nfs/dbraw/zinc/55/19/25/568551925.db2.gz ULMCINQPSMPJOV-NRFANRHFSA-N 1 0 406.501 4.386 40 0 HIABRO Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223847697 568560863 /nfs/dbraw/zinc/56/08/63/568560863.db2.gz TUTMVCLZLCCRPY-FCHUYYIVSA-N 1 0 413.506 4.150 40 0 HIABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000224105700 568570101 /nfs/dbraw/zinc/57/01/01/568570101.db2.gz ZWFUDVHJPAYJIZ-VWLOTQADSA-N 1 0 406.570 4.287 40 0 HIABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1cc(Cl)ccc1Cl ZINC000224823226 568598678 /nfs/dbraw/zinc/59/86/78/568598678.db2.gz HQAOXRFSXGESAX-UHFFFAOYSA-N 1 0 413.370 4.458 40 0 HIABRO COc1ccc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc2c1 ZINC000224852709 568600408 /nfs/dbraw/zinc/60/04/08/568600408.db2.gz KMBJZENFUCKKHC-UHFFFAOYSA-N 1 0 424.566 4.313 40 0 HIABRO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000225084466 568613254 /nfs/dbraw/zinc/61/32/54/568613254.db2.gz UNTOEHMFBBTAOI-INIZCTEOSA-N 1 0 416.949 4.447 40 0 HIABRO S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225213408 568623747 /nfs/dbraw/zinc/62/37/47/568623747.db2.gz DHXRCGKSKLZPLU-UHFFFAOYSA-N 1 0 411.571 4.409 40 0 HIABRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000225514593 568645497 /nfs/dbraw/zinc/64/54/97/568645497.db2.gz MMAMOSUIQYKCSS-SJLPKXTDSA-N 1 0 416.949 4.447 40 0 HIABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000225561612 568651452 /nfs/dbraw/zinc/65/14/52/568651452.db2.gz NRUJBHJKLDTUGE-UHFFFAOYSA-N 1 0 408.542 4.238 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2nnc(SCC(C)C)s2)CC1 ZINC000225616390 568657353 /nfs/dbraw/zinc/65/73/53/568657353.db2.gz ZYOPFDLMULORAL-UHFFFAOYSA-N 1 0 404.605 4.445 40 0 HIABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000225641584 568659515 /nfs/dbraw/zinc/65/95/15/568659515.db2.gz AZKHDLDAKYQTOB-XMMPIXPASA-N 1 0 407.558 4.113 40 0 HIABRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000260767266 568738122 /nfs/dbraw/zinc/73/81/22/568738122.db2.gz MMAMOSUIQYKCSS-WMZOPIPTSA-N 1 0 416.949 4.447 40 0 HIABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2c2ccccc2)CC1 ZINC000257203350 568777150 /nfs/dbraw/zinc/77/71/50/568777150.db2.gz APPPJQMBVKXPGP-JOCHJYFZSA-N 1 0 412.961 4.195 40 0 HIABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)c1 ZINC000257220842 568782236 /nfs/dbraw/zinc/78/22/36/568782236.db2.gz DMJZSCUVCWAWRF-GOSISDBHSA-N 1 0 417.513 4.260 40 0 HIABRO Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000257234992 568786088 /nfs/dbraw/zinc/78/60/88/568786088.db2.gz GVXIIZJUGXYGOP-UHFFFAOYSA-N 1 0 405.477 4.011 40 0 HIABRO CCCOc1ccccc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)[nH]n1 ZINC000257234892 568786127 /nfs/dbraw/zinc/78/61/27/568786127.db2.gz GVMBTJYJLLBWBT-UDGMGYNGSA-N 1 0 408.546 4.001 40 0 HIABRO CN(C(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000257234595 568786225 /nfs/dbraw/zinc/78/62/25/568786225.db2.gz GUGVWEBJHNBJRG-UHFFFAOYSA-N 1 0 401.514 4.063 40 0 HIABRO CC1(C(=O)N2CCC[C@@H](Cc3ccccn3)C2)CC[NH+](CCc2ccccc2)CC1 ZINC000257260047 568792931 /nfs/dbraw/zinc/79/29/31/568792931.db2.gz LBCYEJHEFWJTDI-QHCPKHFHSA-N 1 0 405.586 4.208 40 0 HIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257309144 568807119 /nfs/dbraw/zinc/80/71/19/568807119.db2.gz TZTAWFGQIRTNAN-SFHVURJKSA-N 1 0 401.938 4.111 40 0 HIABRO COc1cccc(OC)c1C(=O)N1CC[C@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257321759 568810903 /nfs/dbraw/zinc/81/09/03/568810903.db2.gz WDCNOWRIZKBUEG-HNNXBMFYSA-N 1 0 424.526 4.237 40 0 HIABRO CCCOc1ccccc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)[nH]n1 ZINC000257329861 568813089 /nfs/dbraw/zinc/81/30/89/568813089.db2.gz XLUXKJICRNWEMV-YMACDFMISA-N 1 0 422.573 4.343 40 0 HIABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](C4CCOCC4)CC3)CO[C@H]21 ZINC000257331680 568813579 /nfs/dbraw/zinc/81/35/79/568813579.db2.gz XTUNWUWPQYFHNE-PZJWPPBQSA-N 1 0 401.547 4.205 40 0 HIABRO c1csc(C[N@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306126398 568889187 /nfs/dbraw/zinc/88/91/87/568889187.db2.gz DUMMLRMWNWBANN-JOCHJYFZSA-N 1 0 421.614 4.265 40 0 HIABRO COc1ncccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306126633 568889532 /nfs/dbraw/zinc/88/95/32/568889532.db2.gz FAQJUTZYFUFENU-LJQANCHMSA-N 1 0 417.488 4.319 40 0 HIABRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCc2nc(-c4ccccc4)cc(=O)n2CC3)c1 ZINC000306127837 568890678 /nfs/dbraw/zinc/89/06/78/568890678.db2.gz GISYRDOTWKTODJ-SANMLTNESA-N 1 0 415.537 4.148 40 0 HIABRO O=C(Nc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)Nc3ccccc3)CC[C@H]2[N@@H+]1CC1CC1 ZINC000306139404 568901309 /nfs/dbraw/zinc/90/13/09/568901309.db2.gz SWNIJFMKEYVFFV-PMOQBDJRSA-N 1 0 418.541 4.032 40 0 HIABRO CC(C)C[N@@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000306142271 568903721 /nfs/dbraw/zinc/90/37/21/568903721.db2.gz WVAJPMMZCYIEMD-OFNKIYASSA-N 1 0 413.587 4.210 40 0 HIABRO COc1ccc2c(ccn2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c1 ZINC000257199103 569059063 /nfs/dbraw/zinc/05/90/63/569059063.db2.gz SFHCSZLHAMASRL-ZDWBCWQTSA-N 1 0 419.569 4.072 40 0 HIABRO O=C(C[N@@H+]1C[C@@H]2[C@@H](Cc3ccccc3Cl)CC[C@@H]2C1)Nc1ccc2n[nH]cc2c1 ZINC000536558921 569062865 /nfs/dbraw/zinc/06/28/65/569062865.db2.gz PHVJZDOUNITZLG-WRWLIDTKSA-N 1 0 408.933 4.356 40 0 HIABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002137247 569277791 /nfs/dbraw/zinc/27/77/91/569277791.db2.gz LFQOBUGWTJTTGE-CSXHVWADSA-N 1 0 423.597 4.226 40 0 HIABRO O=C(NCCCN1CCc2ccccc21)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009062653 569342177 /nfs/dbraw/zinc/34/21/77/569342177.db2.gz RJPOXFWDIUFXAH-UHFFFAOYSA-N 1 0 411.977 4.121 40 0 HIABRO CCN(CC)C(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063177 569342376 /nfs/dbraw/zinc/34/23/76/569342376.db2.gz IXHJFEXTZYSUKB-UHFFFAOYSA-N 1 0 407.558 4.328 40 0 HIABRO Cc1cc(I)ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010358641 569344038 /nfs/dbraw/zinc/34/40/38/569344038.db2.gz CGRPCGZBMRAUFV-UHFFFAOYSA-N 1 0 420.294 4.448 40 0 HIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3ccc(C)s3)C1)O2 ZINC000019217190 569345279 /nfs/dbraw/zinc/34/52/79/569345279.db2.gz MXSHNTGVESUWCV-FDDCHVKYSA-N 1 0 414.571 4.087 40 0 HIABRO C[C@@H](C[N@@H+]1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1)c1ccccc1 ZINC000019456159 569345552 /nfs/dbraw/zinc/34/55/52/569345552.db2.gz XYROXZOIPUUQIU-OFVILXPXSA-N 1 0 413.565 4.485 40 0 HIABRO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)CC2CCCCC2)n1 ZINC000019701018 569347279 /nfs/dbraw/zinc/34/72/79/569347279.db2.gz IIUXBJTVSOTFPS-OAQYLSRUSA-N 1 0 421.589 4.047 40 0 HIABRO Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019702307 569347435 /nfs/dbraw/zinc/34/74/35/569347435.db2.gz OXZUMAJTWDKGEY-GOSISDBHSA-N 1 0 423.582 4.483 40 0 HIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cccc(-n4cnnc4)c3)cc2)C1 ZINC000019711855 569348262 /nfs/dbraw/zinc/34/82/62/569348262.db2.gz YBXAYKQWHIPQFR-PKTZIBPZSA-N 1 0 419.529 4.082 40 0 HIABRO CNc1cc(CN(C)Cc2ccc(-c3ccc(F)cc3)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759970 569348799 /nfs/dbraw/zinc/34/87/99/569348799.db2.gz XLIAVDMXXBIPNF-QFIPXVFZSA-N 1 0 405.521 4.381 40 0 HIABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856811 569352101 /nfs/dbraw/zinc/35/21/01/569352101.db2.gz RFTBGQRLBRTJPD-FPOVZHCZSA-N 1 0 414.521 4.322 40 0 HIABRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccc(-n2cccn2)nc1 ZINC000141552914 569354759 /nfs/dbraw/zinc/35/47/59/569354759.db2.gz PXELNQQCCKJBID-OAQYLSRUSA-N 1 0 423.948 4.268 40 0 HIABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000035424885 291264398 /nfs/dbraw/zinc/26/43/98/291264398.db2.gz JMSFEZCGMLNVIV-FQEVSTJZSA-N 1 0 418.501 4.008 40 0 biogenic,in-vitro HIABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000022805030 520641198 /nfs/dbraw/zinc/64/11/98/520641198.db2.gz PNNHOMMNUJVHEH-YJRNTSOCSA-N 1 0 421.025 4.050 40 0 HIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(OC)c(OC)c1 ZINC000044856842 522668778 /nfs/dbraw/zinc/66/87/78/522668778.db2.gz ZIKDOYJODPYUGF-OAQYLSRUSA-N 1 0 414.521 4.322 40 0 HIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)C1 ZINC000020492799 524884617 /nfs/dbraw/zinc/88/46/17/524884617.db2.gz SUCALXGJYSUDKI-SFTDATJTSA-N 1 0 405.586 4.347 40 0 HIABRO CCOC(=O)c1c(=O)n(CC[NH+](CC)CC)nc(-c2ccccc2)c1-c1ccccc1 ZINC000005469629 557655568 /nfs/dbraw/zinc/65/55/68/557655568.db2.gz IXCGNDDIESOQAT-UHFFFAOYSA-N 1 0 419.525 4.096 40 0 HIABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)c1OCC ZINC000008253849 557778270 /nfs/dbraw/zinc/77/82/70/557778270.db2.gz NUZDXBUSSPKMEZ-UHFFFAOYSA-N 1 0 408.292 4.265 40 0 HIABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCC(=O)NC(C)(C)C ZINC000008254421 557778518 /nfs/dbraw/zinc/77/85/18/557778518.db2.gz HKVCCJVAJKPFFG-UHFFFAOYSA-N 1 0 423.557 4.192 40 0 HIABRO Cc1nc([C@H]2CCC[N@@H+]2CCCc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019753820 558273003 /nfs/dbraw/zinc/27/30/03/558273003.db2.gz LXEISLKCQMCAQG-XMMPIXPASA-N 1 0 414.553 4.485 40 0 HIABRO COc1cccc2cc(C[N@@H+]3CC[C@@H](c4cc(C(N)=O)c5ccccc5n4)C3)oc21 ZINC000019761065 558276366 /nfs/dbraw/zinc/27/63/66/558276366.db2.gz MULNIOXRFBLRJO-MRXNPFEDSA-N 1 0 401.466 4.078 40 0 HIABRO CC(C)(C)Nc1c(C2CCN(C(=O)c3cscn3)CC2)[nH+]c2ccc(F)cn21 ZINC000012087484 558322384 /nfs/dbraw/zinc/32/23/84/558322384.db2.gz ZXIIIXFVTKDNLF-UHFFFAOYSA-N 1 0 401.511 4.160 40 0 HIABRO CCOCCC[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012146448 558337899 /nfs/dbraw/zinc/33/78/99/558337899.db2.gz QQYOZZLRBBYQDS-UHFFFAOYSA-N 1 0 420.488 4.036 40 0 HIABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000012157765 558340755 /nfs/dbraw/zinc/34/07/55/558340755.db2.gz URKBOLXWLCKLDB-FXAWDEMLSA-N 1 0 410.518 4.061 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]2CCCO2)cc1OC ZINC000012187377 558346198 /nfs/dbraw/zinc/34/61/98/558346198.db2.gz QVRCDFJDKGSJTG-QFIPXVFZSA-N 1 0 407.514 4.071 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2ccccc2c1 ZINC000012293608 558366768 /nfs/dbraw/zinc/36/67/68/558366768.db2.gz QMYBZWVMAPMUMF-DHIUTWEWSA-N 1 0 407.485 4.363 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc(F)c(F)c1 ZINC000012293711 558367023 /nfs/dbraw/zinc/36/70/23/558367023.db2.gz GYERUCZNTQFJGG-OALUTQOASA-N 1 0 409.860 4.002 40 0 HIABRO Cc1c([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)c2ccccc2n1C ZINC000012329230 558384015 /nfs/dbraw/zinc/38/40/15/558384015.db2.gz HZMSOUMGONCFGV-GOTSBHOMSA-N 1 0 420.553 4.179 40 0 HIABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012329975 558384842 /nfs/dbraw/zinc/38/48/42/558384842.db2.gz LDJGKPOLXLCUJU-DNQXCXABSA-N 1 0 419.521 4.233 40 0 HIABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)c1 ZINC000012330137 558385161 /nfs/dbraw/zinc/38/51/61/558385161.db2.gz BVNRXKWUYWWDCR-BJKOFHAPSA-N 1 0 419.521 4.233 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330278 558385521 /nfs/dbraw/zinc/38/55/21/558385521.db2.gz JCDLAXWECMEKAP-XZOQPEGZSA-N 1 0 411.517 4.089 40 0 HIABRO COc1ccc(-c2nc(C)sc2CC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000012360914 558387072 /nfs/dbraw/zinc/38/70/72/558387072.db2.gz FNZLKFQBDLNNQW-LJQANCHMSA-N 1 0 413.587 4.147 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)n1 ZINC000013227637 558526909 /nfs/dbraw/zinc/52/69/09/558526909.db2.gz QTCDVXAPQAHRRI-XLIONFOSSA-N 1 0 403.448 4.145 40 0 HIABRO O=C(NCCCN1CCc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039755932 558687582 /nfs/dbraw/zinc/68/75/82/558687582.db2.gz PKPLPVHYGKZCIA-UHFFFAOYSA-N 1 0 411.977 4.121 40 0 HIABRO O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030941578 558745577 /nfs/dbraw/zinc/74/55/77/558745577.db2.gz IDTGTHFBWUBICM-FQEVSTJZSA-N 1 0 423.532 4.303 40 0 HIABRO CC(C)(C)c1cc2n(n1)[C@H](C(F)F)C[C@H]([C@H]1CCC[N@H+](Cc3ccccn3)C1)N2 ZINC000019083916 558840666 /nfs/dbraw/zinc/84/06/66/558840666.db2.gz IIJPQZPWMPBFIO-JQHSSLGASA-N 1 0 403.521 4.478 40 0 HIABRO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000019219867 558851506 /nfs/dbraw/zinc/85/15/06/558851506.db2.gz HQTGLNRTQOSLBI-QGZVFWFLSA-N 1 0 401.432 4.388 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019234974 558854122 /nfs/dbraw/zinc/85/41/22/558854122.db2.gz HSORYKMLWOJQNU-HXUWFJFHSA-N 1 0 402.546 4.155 40 0 HIABRO CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236187 558855448 /nfs/dbraw/zinc/85/54/48/558855448.db2.gz AJYORQFQAUDJRH-SANMLTNESA-N 1 0 414.553 4.023 40 0 HIABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000019236879 558856163 /nfs/dbraw/zinc/85/61/63/558856163.db2.gz UJKLBUALUSKYFG-XMMPIXPASA-N 1 0 400.526 4.168 40 0 HIABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019238149 558857150 /nfs/dbraw/zinc/85/71/50/558857150.db2.gz ISKPZFXHVHODOK-NBGIEHNGSA-N 1 0 420.532 4.119 40 0 HIABRO Cc1cnc(C(=O)N2C[C@H](c3ccc(C[NH+]4CCCC4)cc3)[C@H]3CCCC[C@H]32)cn1 ZINC000019238937 558857545 /nfs/dbraw/zinc/85/75/45/558857545.db2.gz KQWNHAVILMAZBH-CQOQZXRMSA-N 1 0 404.558 4.179 40 0 HIABRO Cc1nc(C[C@H]([NH2+]Cc2cccc3ncccc23)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285351 558859682 /nfs/dbraw/zinc/85/96/82/558859682.db2.gz FSZVUUNVNPYLGR-QFIPXVFZSA-N 1 0 404.901 4.354 40 0 HIABRO COc1ccc(CN(C(=O)[C@H](C)n2c(C)nc3ccccc32)C2CC[NH+](C)CC2)cc1 ZINC000019286639 558860583 /nfs/dbraw/zinc/86/05/83/558860583.db2.gz FQVHERRCAXZDFI-SFHVURJKSA-N 1 0 420.557 4.037 40 0 HIABRO CNc1cc(C2CC[NH+](Cc3ccc(OC)cc3)CC2)nc(-c2cnc(C)s2)n1 ZINC000019287377 558861000 /nfs/dbraw/zinc/86/10/00/558861000.db2.gz RQCRJUHWTHYPFX-UHFFFAOYSA-N 1 0 409.559 4.338 40 0 HIABRO Cn1cc(-c2cc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)c3ccccc3n2)cn1 ZINC000019290735 558863213 /nfs/dbraw/zinc/86/32/13/558863213.db2.gz KSNRSUGNHIZPDJ-HXUWFJFHSA-N 1 0 417.557 4.116 40 0 HIABRO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334374 558869504 /nfs/dbraw/zinc/86/95/04/558869504.db2.gz PMXVDZMLDZCKDR-VABKMULXSA-N 1 0 421.541 4.413 40 0 HIABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449564 558888020 /nfs/dbraw/zinc/88/80/20/558888020.db2.gz DIFDWATWECZTGV-SANMLTNESA-N 1 0 414.553 4.103 40 0 HIABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000019450640 558889082 /nfs/dbraw/zinc/88/90/82/558889082.db2.gz AMJFQYYXKJCSKK-INIZCTEOSA-N 1 0 401.461 4.229 40 0 HIABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CC=CCC4)[nH]c(=O)c3C2)CC1 ZINC000019495977 558894813 /nfs/dbraw/zinc/89/48/13/558894813.db2.gz SDETYPROWHVNFW-HKDCCESQSA-N 1 0 424.589 4.139 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502948 558900344 /nfs/dbraw/zinc/90/03/44/558900344.db2.gz ISCBCLWIOYSXKE-RUZDIDTESA-N 1 0 414.553 4.057 40 0 HIABRO CCc1ncc(C[N@@H+]2CCC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523363 558904660 /nfs/dbraw/zinc/90/46/60/558904660.db2.gz YPVUQEGZTVVTEJ-SANMLTNESA-N 1 0 414.553 4.016 40 0 HIABRO CCN1CC[N@H+](CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527660 558908956 /nfs/dbraw/zinc/90/89/56/558908956.db2.gz HVZUKXKRVANQBG-XMMPIXPASA-N 1 0 404.554 4.023 40 0 HIABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019529143 558910766 /nfs/dbraw/zinc/91/07/66/558910766.db2.gz BGYXEOVREAQPPC-SANMLTNESA-N 1 0 414.553 4.023 40 0 HIABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000019529138 558910781 /nfs/dbraw/zinc/91/07/81/558910781.db2.gz FLUUEIOPKYXKPL-AREMUKBSSA-N 1 0 417.528 4.459 40 0 HIABRO COc1ccc([C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000019557226 558919449 /nfs/dbraw/zinc/91/94/49/558919449.db2.gz GCAYUXNPIGSVLC-ZWKOTPCHSA-N 1 0 402.420 4.215 40 0 HIABRO COc1cccc2ccc(C[NH+]3CCC(c4nnc(-c5ccncc5)o4)CC3)nc21 ZINC000019568426 558927531 /nfs/dbraw/zinc/92/75/31/558927531.db2.gz CPBIUJIGMLLPDW-UHFFFAOYSA-N 1 0 401.470 4.068 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(C(=O)Nc3ccccc3OC)on2)C1 ZINC000019570317 558929106 /nfs/dbraw/zinc/92/91/06/558929106.db2.gz CCMPNJXFOSSVIW-QGZVFWFLSA-N 1 0 421.497 4.324 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)n1 ZINC000072330475 558934851 /nfs/dbraw/zinc/93/48/51/558934851.db2.gz MWVPOERFUCQGBG-GJZUVCINSA-N 1 0 414.553 4.097 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000019580344 558936076 /nfs/dbraw/zinc/93/60/76/558936076.db2.gz NMLXVXWVIPEQAC-AREMUKBSSA-N 1 0 417.528 4.411 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341422 558939769 /nfs/dbraw/zinc/93/97/69/558939769.db2.gz UQPOIYUGEBOZJL-FPOVZHCZSA-N 1 0 413.587 4.411 40 0 HIABRO C[NH+](C)CCNC(=O)C1(Cc2ccccc2-c2coc3ccccc32)CCOCC1 ZINC000060016482 558940274 /nfs/dbraw/zinc/94/02/74/558940274.db2.gz HHRZATJIDSTWOR-UHFFFAOYSA-N 1 0 406.526 4.117 40 0 HIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](CC2CCCCC2)C1 ZINC000019591266 558941673 /nfs/dbraw/zinc/94/16/73/558941673.db2.gz JCPBJSQAANRTCH-RUZDIDTESA-N 1 0 406.574 4.095 40 0 HIABRO Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)n1 ZINC000061381180 558945132 /nfs/dbraw/zinc/94/51/32/558945132.db2.gz BODNAAGDRDINMV-UHFFFAOYSA-N 1 0 402.542 4.074 40 0 HIABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 ZINC000072350405 558947438 /nfs/dbraw/zinc/94/74/38/558947438.db2.gz GQPBYRHSEBOBNS-HXUWFJFHSA-N 1 0 411.977 4.374 40 0 HIABRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)C1(c2cccc(F)c2)CCOCC1 ZINC000019654999 558948427 /nfs/dbraw/zinc/94/84/27/558948427.db2.gz PBRYZDIVHPHDKA-HSZRJFAPSA-N 1 0 410.533 4.217 40 0 HIABRO O=C(c1sc2ccccc2c1[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000072352336 558948466 /nfs/dbraw/zinc/94/84/66/558948466.db2.gz ADVBVTOXURPZMH-FQEVSTJZSA-N 1 0 420.578 4.406 40 0 HIABRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H]3c3cccc(OC)c3)CC2)cc1 ZINC000019661222 558952370 /nfs/dbraw/zinc/95/23/70/558952370.db2.gz CMTKBXCRVHELAW-XMMPIXPASA-N 1 0 408.542 4.280 40 0 HIABRO COc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4c[nH]nc4C(C)(C)C)C3)[nH]n2)cc1 ZINC000072371733 558958800 /nfs/dbraw/zinc/95/88/00/558958800.db2.gz VPJONZFYAOKZBB-KRWDZBQOSA-N 1 0 423.561 4.050 40 0 HIABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 ZINC000019689850 558959437 /nfs/dbraw/zinc/95/94/37/558959437.db2.gz NJWHOMHMRWZBAP-FQEVSTJZSA-N 1 0 410.953 4.417 40 0 HIABRO COc1ccccc1Cc1cc(C)nc(C2CC[NH+](Cc3cn(C)nc3C)CC2)c1 ZINC000019691579 558960773 /nfs/dbraw/zinc/96/07/73/558960773.db2.gz QAJCWVFHQFPDNN-UHFFFAOYSA-N 1 0 404.558 4.411 40 0 HIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc3cnccn3)n1)CCC2 ZINC000072375523 558964243 /nfs/dbraw/zinc/96/42/43/558964243.db2.gz LGSMUTCWOULUDN-OAQYLSRUSA-N 1 0 401.514 4.450 40 0 HIABRO CCc1nnc2n1C[C@H](c1ccc(NC(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)cc1)CC2 ZINC000019699160 558966569 /nfs/dbraw/zinc/96/65/69/558966569.db2.gz MLLURCOXQCHYMT-LJQANCHMSA-N 1 0 421.589 4.376 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc(C(=O)N4CCCC4)cn3)C2)c2cc(F)ccc21 ZINC000019705894 558968337 /nfs/dbraw/zinc/96/83/37/558968337.db2.gz UVZIQXAYAOWGCI-LJQANCHMSA-N 1 0 420.532 4.328 40 0 HIABRO O[C@@]1(c2ccc(F)cc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCCC2 ZINC000022408005 558990387 /nfs/dbraw/zinc/99/03/87/558990387.db2.gz GZZAPICYZCVGHE-HXUWFJFHSA-N 1 0 404.303 4.239 40 0 HIABRO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 ZINC000585100547 559024046 /nfs/dbraw/zinc/02/40/46/559024046.db2.gz NBMNAZDJBIZEKP-QFIPXVFZSA-N 1 0 400.523 4.064 40 0 HIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000585106993 559029365 /nfs/dbraw/zinc/02/93/65/559029365.db2.gz NKYWLIXGHVOAKY-DEOSSOPVSA-N 1 0 420.582 4.467 40 0 HIABRO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCC[NH+]3CCCC3)CCCO2)c1 ZINC000585169170 559067834 /nfs/dbraw/zinc/06/78/34/559067834.db2.gz PMAKSPOVFCLLJM-SANMLTNESA-N 1 0 422.569 4.056 40 0 HIABRO COc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)cc1 ZINC000096052988 559092768 /nfs/dbraw/zinc/09/27/68/559092768.db2.gz LCEIWXZRKOMTIT-HXUWFJFHSA-N 1 0 404.554 4.385 40 0 HIABRO COc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)cc1 ZINC000096053430 559093417 /nfs/dbraw/zinc/09/34/17/559093417.db2.gz ODWPJZGSBHHCJY-FQEVSTJZSA-N 1 0 420.553 4.265 40 0 HIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053429 559093445 /nfs/dbraw/zinc/09/34/45/559093445.db2.gz ANYBVPKSBOQGHK-IBGZPJMESA-N 1 0 408.517 4.395 40 0 HIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](CC3CCOCC3)CC2)Oc2ccccc21 ZINC000096053497 559093518 /nfs/dbraw/zinc/09/35/18/559093518.db2.gz QGAMIQWLCKNPNQ-NRFANRHFSA-N 1 0 414.590 4.072 40 0 HIABRO FC(F)(F)c1ccc2ncc(-c3cccc(C[C@@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585263099 559111949 /nfs/dbraw/zinc/11/19/49/559111949.db2.gz KAFUWDFLNFAJME-HNNXBMFYSA-N 1 0 416.447 4.116 40 0 HIABRO CC(=O)Nc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585270184 559116275 /nfs/dbraw/zinc/11/62/75/559116275.db2.gz IEJMUVZHCUCRIK-UHFFFAOYSA-N 1 0 423.340 4.358 40 0 HIABRO OC1(COc2ccc(F)cc2)CC[NH+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CC1 ZINC000585286049 559121774 /nfs/dbraw/zinc/12/17/74/559121774.db2.gz HBPRRMSSNGKOKL-PEPAQOBHSA-N 1 0 413.533 4.120 40 0 HIABRO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+]([C@H]3CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 ZINC000585286625 559121807 /nfs/dbraw/zinc/12/18/07/559121807.db2.gz HFZPZVBTIRJQGZ-LCGRTSHQSA-N 1 0 409.570 4.206 40 0 HIABRO CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[NH+]3CCCC3)CC2)n1 ZINC000100739093 559139071 /nfs/dbraw/zinc/13/90/71/559139071.db2.gz GZYUUYUGZRTPIN-TYKWCNGQSA-N 1 0 421.589 4.148 40 0 HIABRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000110930255 559176638 /nfs/dbraw/zinc/17/66/38/559176638.db2.gz IHRSUORKLMCBTR-UHFFFAOYSA-N 1 0 413.370 4.209 40 0 HIABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3c(F)cccc3Cl)cc2)CC1 ZINC000113932656 559182229 /nfs/dbraw/zinc/18/22/29/559182229.db2.gz VEKUBUQXEZWVGV-UHFFFAOYSA-N 1 0 407.942 4.103 40 0 HIABRO C[C@@]1(O)CC[N@H+](CCCc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289935 560031506 /nfs/dbraw/zinc/03/15/06/560031506.db2.gz OXOBRYHPSDHZHS-OHSXHVKISA-N 1 0 420.597 4.492 40 0 biogenic,in-vitro HIABRO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccccc4)C[C@H]2N(C)C3=O)c1 ZINC000514289578 560032058 /nfs/dbraw/zinc/03/20/58/560032058.db2.gz LHIHXKUQYNANQB-NOZRDPDXSA-N 1 0 414.505 4.080 40 0 biogenic,in-vitro HIABRO Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000000920004 560555231 /nfs/dbraw/zinc/55/52/31/560555231.db2.gz HVQPRUDVCNKAIW-UHFFFAOYSA-N 1 0 422.598 4.214 40 0 HIABRO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[N@@H+]1C[C@H]2C[C@@H]1CC(C)(C)C2 ZINC000002367911 560559816 /nfs/dbraw/zinc/55/98/16/560559816.db2.gz AQEBUGFWZCHVIQ-DZGCQCFKSA-N 1 0 417.937 4.447 40 0 HIABRO CCOc1cc(/C=C/c2cccc[n+]2C)ccc1OCC(=O)Nc1ccccc1OC ZINC000005002334 560620400 /nfs/dbraw/zinc/62/04/00/560620400.db2.gz HKCNNIATWNKIHL-WYMLVPIESA-O 1 0 419.501 4.106 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N[C@H]4CCCC[C@@H]4C)on3)C2)c1 ZINC000409412745 560723034 /nfs/dbraw/zinc/72/30/34/560723034.db2.gz JPEBFZYLMGIAJL-CUWPLCDZSA-N 1 0 411.546 4.371 40 0 HIABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OCC(N)=O ZINC000008534504 560755167 /nfs/dbraw/zinc/75/51/67/560755167.db2.gz YJZMUHSSMOXMQO-UBWJNLJSSA-N 1 0 406.954 4.051 40 0 HIABRO c1cncc(C[N@H+](CCCN2CCOCC2)Cc2ccc(OC3CCCC3)cc2)c1 ZINC000013569073 560814225 /nfs/dbraw/zinc/81/42/25/560814225.db2.gz FZFDPPKXGOJIJW-UHFFFAOYSA-N 1 0 409.574 4.128 40 0 HIABRO O=c1[nH]c2cc3c(cc2cc1CNc1ccc([NH+]2CCCCCC2)cc1)OCCO3 ZINC000013563012 560816177 /nfs/dbraw/zinc/81/61/77/560816177.db2.gz UUJGSBPJWNVRCE-UHFFFAOYSA-N 1 0 405.498 4.292 40 0 HIABRO C[C@H](NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000020241786 560883230 /nfs/dbraw/zinc/88/32/30/560883230.db2.gz AQQLZDLHKJXAFI-QFIPXVFZSA-N 1 0 413.565 4.495 40 0 HIABRO CCCN(C(=O)c1cccc(Cl)c1)C1(C(=O)Nc2ccccc2)CC[NH+](C)CC1 ZINC000003339068 560887721 /nfs/dbraw/zinc/88/77/21/560887721.db2.gz SEKXQQUSXINHIT-UHFFFAOYSA-N 1 0 413.949 4.295 40 0 HIABRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009991727 568415883 /nfs/dbraw/zinc/41/58/83/568415883.db2.gz WTABGULYOLYNTO-INIZCTEOSA-N 1 0 417.347 4.129 40 0 HIABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000216370978 568464800 /nfs/dbraw/zinc/46/48/00/568464800.db2.gz HXGGTBRRUDNOFH-LJQANCHMSA-N 1 0 402.560 4.412 40 0 HIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)cc2)C1 ZINC000219241180 568488316 /nfs/dbraw/zinc/48/83/16/568488316.db2.gz TZMIAXLSTFPKOT-SFHVURJKSA-N 1 0 404.514 4.241 40 0 HIABRO CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000219410843 568491561 /nfs/dbraw/zinc/49/15/61/568491561.db2.gz HUXHTTVITQUFMU-UHFFFAOYSA-N 1 0 424.932 4.261 40 0 HIABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1C1CCCC1 ZINC000223263990 568543154 /nfs/dbraw/zinc/54/31/54/568543154.db2.gz LOISNFJSSSEYDH-YADHBBJMSA-N 1 0 411.619 4.149 40 0 HIABRO O=C(NCCOc1ccc(F)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223416371 568548225 /nfs/dbraw/zinc/54/82/25/568548225.db2.gz JLNRGDAUSAFVHH-UHFFFAOYSA-N 1 0 404.485 4.193 40 0 HIABRO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000223626254 568553849 /nfs/dbraw/zinc/55/38/49/568553849.db2.gz NLUQGOCPFPMCQB-UHFFFAOYSA-N 1 0 406.501 4.386 40 0 HIABRO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000224181212 568572787 /nfs/dbraw/zinc/57/27/87/568572787.db2.gz JQEVABGEZNHQLW-SFHVURJKSA-N 1 0 404.913 4.195 40 0 HIABRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224615594 568588148 /nfs/dbraw/zinc/58/81/48/568588148.db2.gz LTNMCEQLJUQULZ-UHFFFAOYSA-N 1 0 413.370 4.209 40 0 HIABRO O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225014466 568609234 /nfs/dbraw/zinc/60/92/34/568609234.db2.gz XTIBFOSWWLRXRO-LJQANCHMSA-N 1 0 413.949 4.027 40 0 HIABRO S=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225210129 568623579 /nfs/dbraw/zinc/62/35/79/568623579.db2.gz FFLPSVXULGZXJZ-UHFFFAOYSA-N 1 0 406.382 4.475 40 0 HIABRO COc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1Cl ZINC000225772507 568673356 /nfs/dbraw/zinc/67/33/56/568673356.db2.gz TWZCZJMUZGKUJC-UHFFFAOYSA-N 1 0 419.978 4.308 40 0 HIABRO Cc1ccc(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408146 568767546 /nfs/dbraw/zinc/76/75/46/568767546.db2.gz ATQYXAICRSYWPP-OAQYLSRUSA-N 1 0 400.340 4.408 40 0 HIABRO CCOc1ccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408699 568767645 /nfs/dbraw/zinc/76/76/45/568767645.db2.gz VLVIQBXEMWFLFX-QHCPKHFHSA-N 1 0 417.476 4.337 40 0 HIABRO COCC(=O)N1CCC2(C[N@H+](Cc3cccc(Cl)c3)C[C@H]2c2ccccc2)CC1 ZINC000257203137 568776847 /nfs/dbraw/zinc/77/68/47/568776847.db2.gz AOVGBRUEMGRSHE-QFIPXVFZSA-N 1 0 412.961 4.195 40 0 HIABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](CC4CCOCC4)CC3)CO[C@H]21 ZINC000257231051 568785085 /nfs/dbraw/zinc/78/50/85/568785085.db2.gz GEZMBBSJKDZSMM-RBBKRZOGSA-N 1 0 415.574 4.453 40 0 HIABRO Cc1ccccc1C[N@@H+]1CC[C@@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257234418 568785875 /nfs/dbraw/zinc/78/58/75/568785875.db2.gz GTKWGHQBOTVXMA-JOCHJYFZSA-N 1 0 420.601 4.383 40 0 HIABRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000257307579 568806735 /nfs/dbraw/zinc/80/67/35/568806735.db2.gz SZHMGVQJAJELOO-QHCPKHFHSA-N 1 0 413.525 4.112 40 0 HIABRO Cc1onc(C(C)C)c1C(=O)N1CCC(c2cc(Nc3cnccn3)cc(C)[nH+]2)CC1 ZINC000257316279 568809208 /nfs/dbraw/zinc/80/92/08/568809208.db2.gz VEXUKETYKLWYQQ-UHFFFAOYSA-N 1 0 420.517 4.363 40 0 HIABRO 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 568815155 /nfs/dbraw/zinc/81/51/55/568815155.db2.gz YRLBFOAOEQEMBP-UCKMRUJXSA-N 1 0 407.533 4.289 40 0 HIABRO CNc1cc(C)nc([C@@]2(C)CCC[N@H+](Cc3ccccc3OCc3ccccn3)C2)n1 ZINC000257341560 568816472 /nfs/dbraw/zinc/81/64/72/568816472.db2.gz ZKWWCJSTXUHKOH-VWLOTQADSA-N 1 0 417.557 4.354 40 0 HIABRO Cc1ccc(C[N@H+]2CCN(C)[C@H](c3ncn4cc(-c5cccnc5)ccc34)C2)s1 ZINC000306134357 568896296 /nfs/dbraw/zinc/89/62/96/568896296.db2.gz NKTSNOOEQYKYLU-QFIPXVFZSA-N 1 0 403.555 4.255 40 0 HIABRO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCC[C@@]12C[N@H+](CC(C)C)CCO2 ZINC000306134273 568896377 /nfs/dbraw/zinc/89/63/77/568896377.db2.gz NHMXAHPZZVWBPZ-HYBUGGRVSA-N 1 0 411.546 4.049 40 0 HIABRO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@]12C[N@H+](CC(C)C)CCO2 ZINC000306134274 568896411 /nfs/dbraw/zinc/89/64/11/568896411.db2.gz NHMXAHPZZVWBPZ-RDPSFJRHSA-N 1 0 411.546 4.049 40 0 HIABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)S3(=O)=O)s1 ZINC000306136715 568898615 /nfs/dbraw/zinc/89/86/15/568898615.db2.gz QAWVGZZLNSJDLY-UHFFFAOYSA-N 1 0 402.585 4.108 40 0 HIABRO Cc1cc(C)cc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144595 568906053 /nfs/dbraw/zinc/90/60/53/568906053.db2.gz ZJUOGLCXDSJIQH-JYFHCDHNSA-N 1 0 420.601 4.309 40 0 HIABRO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3cccnc3)cc12 ZINC000035316214 569031331 /nfs/dbraw/zinc/03/13/31/569031331.db2.gz IVNYWRCNYATFFW-UHFFFAOYSA-N 1 0 421.932 4.350 40 0 HIABRO COc1cc(C[NH+]2CCC3(CC2)Nc2ccccc2-n2cccc23)cc(OC)c1OC ZINC000004943229 569051848 /nfs/dbraw/zinc/05/18/48/569051848.db2.gz UJUMZAHTZIFWEO-UHFFFAOYSA-N 1 0 419.525 4.420 40 0 HIABRO Cc1ccc2cc(CN(CC[NH+]3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C ZINC000012704539 569052035 /nfs/dbraw/zinc/05/20/35/569052035.db2.gz MLSYXEATSZWWGA-UHFFFAOYSA-N 1 0 424.589 4.085 40 0 HIABRO O[C@@H](COc1ccccc1Br)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002696130 569211663 /nfs/dbraw/zinc/21/16/63/569211663.db2.gz BREIVTLGRYVPOD-LJQANCHMSA-N 1 0 404.348 4.144 40 0 HIABRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(C)c(C)sc2NC(=O)c2ccccc2)C1 ZINC000005644523 569255907 /nfs/dbraw/zinc/25/59/07/569255907.db2.gz RKUCZMWRYMFALR-GOSISDBHSA-N 1 0 400.544 4.392 40 0 HIABRO C[C@H](C[N@@H+]1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000248168847 569316682 /nfs/dbraw/zinc/31/66/82/569316682.db2.gz QLOGWAKAXKQCTO-FQRUVTKNSA-N 1 0 414.553 4.057 40 0 HIABRO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009062629 569342209 /nfs/dbraw/zinc/34/22/09/569342209.db2.gz DCTTXVDBDPFOGN-QGZVFWFLSA-N 1 0 416.949 4.144 40 0 HIABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C ZINC000009063331 569342400 /nfs/dbraw/zinc/34/24/00/569342400.db2.gz QNTIPJZTDDPPRC-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063380 569342460 /nfs/dbraw/zinc/34/24/60/569342460.db2.gz SSISUVLBSMMALF-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO C[C@H](C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000019456129 569345587 /nfs/dbraw/zinc/34/55/87/569345587.db2.gz CEINOHUHQWQGIA-TZIWHRDSSA-N 1 0 416.573 4.450 40 0 HIABRO CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+]1Cc1cccnc1 ZINC000019696553 569346819 /nfs/dbraw/zinc/34/68/19/569346819.db2.gz WEIVZVGNBHFGKC-RUZDIDTESA-N 1 0 418.541 4.182 40 0 HIABRO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 ZINC000019704347 569347542 /nfs/dbraw/zinc/34/75/42/569347542.db2.gz QAQRNSUBMOVCRW-MRXNPFEDSA-N 1 0 411.937 4.093 40 0 HIABRO CNc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709874 569428889 /nfs/dbraw/zinc/42/88/89/569428889.db2.gz OBMWMZVMVHRDSV-JOCHJYFZSA-N 1 0 415.541 4.272 40 0 HIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC(C)C)Cc2cn(Cc3ccccn3)c3cccc1c23 ZINC000049171674 291261573 /nfs/dbraw/zinc/26/15/73/291261573.db2.gz CSDWZTMUSIGMJZ-VXKWHMMOSA-N 1 0 404.558 4.211 40 0 biogenic,in-vitro HIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC2CC2)Cc2cn(Cc3ccncc3)c3cccc1c23 ZINC000049171615 291261725 /nfs/dbraw/zinc/26/17/25/291261725.db2.gz UHDLCXJESHZZMY-GOTSBHOMSA-N 1 0 416.569 4.212 40 0 biogenic,in-vitro HIABRO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4CC(C)C)n3)cn2)cc1 ZINC000049155227 291266078 /nfs/dbraw/zinc/26/60/78/291266078.db2.gz IWOXZIWLJNHVRW-IBGZPJMESA-N 1 0 421.501 4.185 40 0 biogenic,in-vitro HIABRO Cc1cc(OCC[NH+](C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NCc1cccs1)C2 ZINC000004222640 291267837 /nfs/dbraw/zinc/26/78/37/291267837.db2.gz ZLDUATOQYMLXPA-PKOBYXMFSA-N 1 0 414.615 4.363 40 0 biogenic,in-vitro HIABRO Cn1nc(-c2ccco2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 ZINC000008635838 291268924 /nfs/dbraw/zinc/26/89/24/291268924.db2.gz QWYUEBPPUMAUGY-UHOSZYNNSA-N 1 0 406.486 4.107 40 0 biogenic,in-vitro HIABRO OC1(c2csc(CN3CCc4ccccc4C3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000225473410 291270693 /nfs/dbraw/zinc/27/06/93/291270693.db2.gz IJWOQQCQTOXIJG-UHFFFAOYSA-N 1 0 419.594 4.185 40 0 biogenic,in-vitro HIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1)NC1CCCCC1 ZINC000012482316 291269355 /nfs/dbraw/zinc/26/93/55/291269355.db2.gz RZQLNCQPTBAMAR-PMACEKPBSA-N 1 0 401.595 4.405 40 0 biogenic,in-vitro HIABRO CCOC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000044939627 521438743 /nfs/dbraw/zinc/43/87/43/521438743.db2.gz ATUUJWLSSUNCFS-UHFFFAOYSA-N 1 0 400.906 4.367 40 0 HIABRO Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044852761 525428534 /nfs/dbraw/zinc/42/85/34/525428534.db2.gz KGMBMYVTTHILKW-UYAOXDASSA-N 1 0 400.950 4.444 40 0 HIABRO COc1cccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044906789 525887827 /nfs/dbraw/zinc/88/78/27/525887827.db2.gz LCRCFCWCGTZDQT-HXUWFJFHSA-N 1 0 400.950 4.310 40 0 HIABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000001711008 557282208 /nfs/dbraw/zinc/28/22/08/557282208.db2.gz INZLNYGKJMHHTK-AREMUKBSSA-N 1 0 403.522 4.475 40 0 HIABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NC(C)(C)C ZINC000008254394 557778472 /nfs/dbraw/zinc/77/84/72/557778472.db2.gz AJMYHHWOPHKUHZ-UHFFFAOYSA-N 1 0 414.590 4.437 40 0 HIABRO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Br)c1OCc1ccccc1 ZINC000008327016 557782062 /nfs/dbraw/zinc/78/20/62/557782062.db2.gz QNPWUIWNMAINJB-QGZVFWFLSA-N 1 0 408.336 4.287 40 0 HIABRO Cc1noc(C)c1CCNC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748622 558268009 /nfs/dbraw/zinc/26/80/09/558268009.db2.gz PHTLNYRTTVREDD-UHFFFAOYSA-N 1 0 423.479 4.271 40 0 HIABRO Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](CCCc3ccccc3)CC2)n1 ZINC000019754913 558274025 /nfs/dbraw/zinc/27/40/25/558274025.db2.gz USMWXTQLYYQDBD-UHFFFAOYSA-N 1 0 423.586 4.016 40 0 HIABRO Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000019756704 558274528 /nfs/dbraw/zinc/27/45/28/558274528.db2.gz CBSQSORVISKYPT-OAQYLSRUSA-N 1 0 424.564 4.100 40 0 HIABRO NC(=O)c1cc([C@@H]2CC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)nc2ccccc21 ZINC000019761075 558276314 /nfs/dbraw/zinc/27/63/14/558276314.db2.gz RTEWEUPDGCFUGQ-HXUWFJFHSA-N 1 0 408.505 4.385 40 0 HIABRO COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000012116792 558328829 /nfs/dbraw/zinc/32/88/29/558328829.db2.gz XJBJKJDTZXPZJQ-NRFANRHFSA-N 1 0 407.514 4.275 40 0 HIABRO COc1cccc(C[NH+]2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)c1 ZINC000012158748 558341159 /nfs/dbraw/zinc/34/11/59/558341159.db2.gz FIKZOFASYBHOKQ-UHFFFAOYSA-N 1 0 419.447 4.042 40 0 HIABRO CC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)cc1 ZINC000012188016 558347065 /nfs/dbraw/zinc/34/70/65/558347065.db2.gz UEEKFUYNUSQHHF-QHCPKHFHSA-N 1 0 406.526 4.236 40 0 HIABRO Cc1[nH]c2ccccc2c1[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(C)ccc1O2 ZINC000012293207 558366244 /nfs/dbraw/zinc/36/62/44/558366244.db2.gz WSYWKFGNAAFGFH-FGZHOGPDSA-N 1 0 406.526 4.169 40 0 HIABRO Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020452201 558366325 /nfs/dbraw/zinc/36/63/25/558366325.db2.gz AUWCXIMWLFNMDF-UHFFFAOYSA-N 1 0 402.542 4.343 40 0 HIABRO COc1ccc(C2([NH2+]Cc3cn(CC(=O)NC4CC4)c4ccccc34)CCCC2)cc1 ZINC000012328267 558383490 /nfs/dbraw/zinc/38/34/90/558383490.db2.gz IVQBGUCNDAXASP-UHFFFAOYSA-N 1 0 417.553 4.488 40 0 HIABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329559 558384217 /nfs/dbraw/zinc/38/42/17/558384217.db2.gz FEMTVXDWWBMSAV-PKTZIBPZSA-N 1 0 411.542 4.086 40 0 HIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012329979 558384884 /nfs/dbraw/zinc/38/48/84/558384884.db2.gz LDJGKPOLXLCUJU-ZEQRLZLVSA-N 1 0 419.521 4.233 40 0 HIABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330172 558385118 /nfs/dbraw/zinc/38/51/18/558385118.db2.gz RFZPPCQGGIFNDP-RPWUZVMVSA-N 1 0 407.554 4.176 40 0 HIABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(OC)c(O)cc2Cl)cc1 ZINC000012345387 558386545 /nfs/dbraw/zinc/38/65/45/558386545.db2.gz WMZRYFOMNLHWLL-AQKKSAQBSA-N 1 0 403.906 4.077 40 0 HIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc(C)cc(C)c1-n1cccn1 ZINC000022913696 558520560 /nfs/dbraw/zinc/52/05/60/558520560.db2.gz FVHKSHORBNIDHT-XMMPIXPASA-N 1 0 403.574 4.371 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCCC3)CC2)c1 ZINC000039772248 558686322 /nfs/dbraw/zinc/68/63/22/558686322.db2.gz LAYXMDJPSBTAQP-UHFFFAOYSA-N 1 0 405.542 4.082 40 0 HIABRO CCN(CC)C(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039744930 558686867 /nfs/dbraw/zinc/68/68/67/558686867.db2.gz BMWZKIFRZHTTNC-UHFFFAOYSA-N 1 0 411.521 4.158 40 0 HIABRO COc1ccc(C[N@H+](CC2=Cc3ccc(OC)cc3OC2)C2CCN(C)CC2)cc1 ZINC000036751972 558802677 /nfs/dbraw/zinc/80/26/77/558802677.db2.gz ZDEWZYWKUGNCCQ-UHFFFAOYSA-N 1 0 408.542 4.076 40 0 HIABRO CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834576 558817828 /nfs/dbraw/zinc/81/78/28/558817828.db2.gz GJCZYTHZJVNTDY-QGZVFWFLSA-N 1 0 400.906 4.367 40 0 HIABRO O=C(C1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019014864 558837009 /nfs/dbraw/zinc/83/70/09/558837009.db2.gz DFFPNBZEADOWEH-NRFANRHFSA-N 1 0 412.578 4.117 40 0 HIABRO CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CC[NH+](C[C@H]4CCOC4)CC3)cc2n1 ZINC000019083842 558840620 /nfs/dbraw/zinc/84/06/20/558840620.db2.gz CYEXMKJDPYCTQY-CQSZACIVSA-N 1 0 410.484 4.262 40 0 HIABRO COc1ccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CC[N@H+](Cc4cccc(C)c4)C[C@@H]23)cc1 ZINC000019235061 558854137 /nfs/dbraw/zinc/85/41/37/558854137.db2.gz INEUESGONWOPRW-SDHOMARFSA-N 1 0 404.554 4.230 40 0 HIABRO Cc1cccc(C[N@H+]2CCC[C@@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019234977 558854240 /nfs/dbraw/zinc/85/42/40/558854240.db2.gz JZOGPXCTMRWNJS-OAQYLSRUSA-N 1 0 416.573 4.165 40 0 HIABRO Cc1cnccc1C[NH+]1CCC([C@@H](NC(=O)c2ccccc2C)c2ccccn2)CC1 ZINC000019236886 558856350 /nfs/dbraw/zinc/85/63/50/558856350.db2.gz NMPZHCRTTDEBKC-RUZDIDTESA-N 1 0 414.553 4.477 40 0 HIABRO Cn1cc(-c2cc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)c3ccccc3n2)cn1 ZINC000019290736 558863199 /nfs/dbraw/zinc/86/31/99/558863199.db2.gz KSNRSUGNHIZPDJ-FQEVSTJZSA-N 1 0 417.557 4.116 40 0 HIABRO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000019334042 558869124 /nfs/dbraw/zinc/86/91/24/558869124.db2.gz HKAKAVPTLBPWFO-SFHVURJKSA-N 1 0 410.905 4.033 40 0 HIABRO O=C1N[C@@]2(COC3(C2)CC[NH+](CC2CCCCC2)CC3)Nc2ccc(Cl)cc21 ZINC000019345871 558873357 /nfs/dbraw/zinc/87/33/57/558873357.db2.gz ORVDXCBBHCPGPW-QFIPXVFZSA-N 1 0 403.954 4.027 40 0 HIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3OC3CCCC3)C[C@H]2c2ccccn2)N1 ZINC000019349454 558875209 /nfs/dbraw/zinc/87/52/09/558875209.db2.gz VOPKDUGZLLBVLD-BKMJKUGQSA-N 1 0 419.569 4.431 40 0 HIABRO c1[nH]nc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371077 558878944 /nfs/dbraw/zinc/87/89/44/558878944.db2.gz KDOCGIQKKTYYDL-NRFANRHFSA-N 1 0 416.573 4.279 40 0 HIABRO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000019401848 558883831 /nfs/dbraw/zinc/88/38/31/558883831.db2.gz KRANBUAFKKEVIO-VABKMULXSA-N 1 0 421.541 4.413 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)c(F)c1 ZINC000019446655 558886489 /nfs/dbraw/zinc/88/64/89/558886489.db2.gz MOXYPZMOOYKHIW-YADARESESA-N 1 0 413.537 4.345 40 0 HIABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449578 558887961 /nfs/dbraw/zinc/88/79/61/558887961.db2.gz FXVNZXAJICYNLF-AREMUKBSSA-N 1 0 414.553 4.103 40 0 HIABRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1)c1cc2cc(Cl)ccc2o1 ZINC000019458507 558892571 /nfs/dbraw/zinc/89/25/71/558892571.db2.gz ZSTLIDHLKKPAHT-CVEARBPZSA-N 1 0 403.954 4.070 40 0 HIABRO CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019528751 558910164 /nfs/dbraw/zinc/91/01/64/558910164.db2.gz RPUDIBQAUXBSHC-SANMLTNESA-N 1 0 414.553 4.105 40 0 HIABRO CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019528753 558910211 /nfs/dbraw/zinc/91/02/11/558910211.db2.gz XBQRHRNHLSZMEG-SANMLTNESA-N 1 0 414.553 4.105 40 0 HIABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](CCc2ccccc2)C1 ZINC000019529123 558910806 /nfs/dbraw/zinc/91/08/06/558910806.db2.gz AHDQQUVTOGMZHN-MHZLTWQESA-N 1 0 413.565 4.362 40 0 HIABRO CCOc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ncccc1C)O[C@H](C)C2 ZINC000019532402 558912650 /nfs/dbraw/zinc/91/26/50/558912650.db2.gz BFYBZZJOIJMOCL-IWWIHDLUSA-N 1 0 422.569 4.232 40 0 HIABRO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)no2)c1 ZINC000019565567 558925473 /nfs/dbraw/zinc/92/54/73/558925473.db2.gz LMYPENSFIBVOEW-HXUWFJFHSA-N 1 0 411.546 4.373 40 0 HIABRO CCn1cncc1C[N@@H+]1CCC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019578641 558934275 /nfs/dbraw/zinc/93/42/75/558934275.db2.gz KHBRGYIUYHYGNJ-OAHLLOKOSA-N 1 0 420.483 4.468 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)n1 ZINC000072330419 558934546 /nfs/dbraw/zinc/93/45/46/558934546.db2.gz KMNUVGFFIYVUJY-GCJKJVERSA-N 1 0 406.555 4.230 40 0 HIABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](CC2CCCCC2)C1 ZINC000019591267 558941723 /nfs/dbraw/zinc/94/17/23/558941723.db2.gz JCPBJSQAANRTCH-VWLOTQADSA-N 1 0 406.574 4.095 40 0 HIABRO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cccnc2N(C)C)C1 ZINC000072352306 558948601 /nfs/dbraw/zinc/94/86/01/558948601.db2.gz RRJUZMWCJYYYOA-QGZVFWFLSA-N 1 0 422.598 4.490 40 0 HIABRO COc1ccccc1OCCN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](C)C1 ZINC000072352580 558949173 /nfs/dbraw/zinc/94/91/73/558949173.db2.gz VSGPTYYCWGDIOP-KRWDZBQOSA-N 1 0 424.566 4.480 40 0 HIABRO Cc1nc2c(C)cccn2c1C[N@H+]1CCC[C@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 ZINC000072353760 558950936 /nfs/dbraw/zinc/95/09/36/558950936.db2.gz GAFJCNACZHLPCW-FQEVSTJZSA-N 1 0 414.557 4.435 40 0 HIABRO O=C(CCCc1ccccc1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355229 558952539 /nfs/dbraw/zinc/95/25/39/558952539.db2.gz DEWHEIRWLNDDOQ-QHCPKHFHSA-N 1 0 405.586 4.350 40 0 HIABRO O=C(Cc1c[nH]c2ccccc12)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355180 558952550 /nfs/dbraw/zinc/95/25/50/558952550.db2.gz VCAIDFMHNWNDQS-HXUWFJFHSA-N 1 0 416.569 4.051 40 0 HIABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000019687611 558957364 /nfs/dbraw/zinc/95/73/64/558957364.db2.gz GHBDAWVHPCGSST-NRFANRHFSA-N 1 0 421.589 4.068 40 0 HIABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4ccc(-c5cnc(N)nc5)cn4)C3)ccc2O1 ZINC000019689301 558958767 /nfs/dbraw/zinc/95/87/67/558958767.db2.gz HJPCEKUZZAPOKU-IBGZPJMESA-N 1 0 415.541 4.214 40 0 HIABRO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 ZINC000072392975 558972778 /nfs/dbraw/zinc/97/27/78/558972778.db2.gz JXHYARFJLCYXHH-QGZVFWFLSA-N 1 0 417.488 4.140 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072394014 558973189 /nfs/dbraw/zinc/97/31/89/558973189.db2.gz FAEFAUPPCLTYFE-DEOSSOPVSA-N 1 0 423.488 4.264 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@H+](Cc2cccnc2)C1 ZINC000072394042 558973273 /nfs/dbraw/zinc/97/32/73/558973273.db2.gz GLUTZJUMVBXZNV-VWLOTQADSA-N 1 0 419.525 4.433 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072394068 558973288 /nfs/dbraw/zinc/97/32/88/558973288.db2.gz BUALUNSRGCJFMP-VWLOTQADSA-N 1 0 419.525 4.433 40 0 HIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000072394070 558973575 /nfs/dbraw/zinc/97/35/75/558973575.db2.gz BEKCLSSAUBVLQN-VWLOTQADSA-N 1 0 419.525 4.433 40 0 HIABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072395951 558974958 /nfs/dbraw/zinc/97/49/58/558974958.db2.gz IUVLBXXSUKXGPM-RUZDIDTESA-N 1 0 418.541 4.006 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(F)c1 ZINC000072398625 558976257 /nfs/dbraw/zinc/97/62/57/558976257.db2.gz XLJLBMJSIJCIHN-AVRDEDQJSA-N 1 0 413.537 4.345 40 0 HIABRO O=C1CCCN1c1ccc(C[N@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000019715956 558977280 /nfs/dbraw/zinc/97/72/80/558977280.db2.gz HJEBVBQVGJBECP-GOSISDBHSA-N 1 0 406.505 4.284 40 0 HIABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(N[C@H]2CCc3ccccc32)[nH]1 ZINC000019717561 558980305 /nfs/dbraw/zinc/98/03/05/558980305.db2.gz AXADXYWFCPQJCW-NRFANRHFSA-N 1 0 401.514 4.056 40 0 HIABRO Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100312 559023823 /nfs/dbraw/zinc/02/38/23/559023823.db2.gz AWTDGTJIKISBLZ-QFIPXVFZSA-N 1 0 403.473 4.231 40 0 HIABRO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](Cc2ccc(F)cc2F)CC3)cs1 ZINC000585100584 559024156 /nfs/dbraw/zinc/02/41/56/559024156.db2.gz ORJUDPVWHYZPIK-NRFANRHFSA-N 1 0 405.514 4.277 40 0 HIABRO O=C(Cc1ccccc1)N[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000585105622 559026676 /nfs/dbraw/zinc/02/66/76/559026676.db2.gz GNLAVACTLFNFQD-RUZDIDTESA-N 1 0 411.549 4.419 40 0 HIABRO 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 559029763 /nfs/dbraw/zinc/02/97/63/559029763.db2.gz HJZQZXWJSWBFPO-NBYUQASBSA-N 1 0 415.990 4.250 40 0 HIABRO CC[NH+](CC)CCCNC(=O)[C@]1(Cc2cccc(-c3ccccc3OC)c2)CCCO1 ZINC000585169166 559067847 /nfs/dbraw/zinc/06/78/47/559067847.db2.gz OQVDZQWTSMYZBE-AREMUKBSSA-N 1 0 424.585 4.302 40 0 HIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052795 559092391 /nfs/dbraw/zinc/09/23/91/559092391.db2.gz INORMBGPPFLQSB-LJQANCHMSA-N 1 0 410.583 4.018 40 0 HIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)cc1 ZINC000585274249 559118653 /nfs/dbraw/zinc/11/86/53/559118653.db2.gz USXMUYVVPYCLHY-HSZRJFAPSA-N 1 0 416.949 4.403 40 0 HIABRO Cc1cc(OC[C@@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)ccc1Cl ZINC000585293532 559126030 /nfs/dbraw/zinc/12/60/30/559126030.db2.gz ZAOUIVGRPRDQSU-KRWDZBQOSA-N 1 0 400.906 4.049 40 0 HIABRO COc1ccccc1OCC[NH2+]C[C@H](O)COc1cccc2oc3ccccc3c21 ZINC000094992742 560556104 /nfs/dbraw/zinc/55/61/04/560556104.db2.gz FGBPJNVKIGLYAU-KRWDZBQOSA-N 1 0 407.466 4.003 40 0 HIABRO CCc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000928189 560557073 /nfs/dbraw/zinc/55/70/73/560557073.db2.gz CUSSUDZMODRHBK-UHFFFAOYSA-N 1 0 422.598 4.160 40 0 HIABRO CC[NH+](CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=S)Nc1ccccc1 ZINC000004127878 560599207 /nfs/dbraw/zinc/59/92/07/560599207.db2.gz DIPHLGIRTBNTPO-UHFFFAOYSA-N 1 0 422.598 4.377 40 0 HIABRO CC[NH+](CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=S)Nc1ccccc1 ZINC000004127875 560599213 /nfs/dbraw/zinc/59/92/13/560599213.db2.gz KHMUQQNXLCTWRC-UHFFFAOYSA-N 1 0 422.598 4.377 40 0 HIABRO CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000017093266 560867835 /nfs/dbraw/zinc/86/78/35/560867835.db2.gz HYNXQPNXLPTHHQ-AWNIVKPZSA-N 1 0 422.598 4.088 40 0 HIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3nc(-c4ccccc4Cl)no3)CC2)c1 ZINC000219407134 568491422 /nfs/dbraw/zinc/49/14/22/568491422.db2.gz JFJNDABMJYEAMR-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000219405514 568491430 /nfs/dbraw/zinc/49/14/30/568491430.db2.gz URJAURDXYSGXQQ-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773445 568497647 /nfs/dbraw/zinc/49/76/47/568497647.db2.gz HKGRMKDWBQAIJM-LAUBAEHRSA-N 1 0 417.575 4.030 40 0 HIABRO Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4Cl)C3)n2)c1 ZINC000222595487 568519829 /nfs/dbraw/zinc/51/98/29/568519829.db2.gz TWRLVNLGLHTIBN-LJQANCHMSA-N 1 0 424.932 4.227 40 0 HIABRO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000223555593 568551631 /nfs/dbraw/zinc/55/16/31/568551631.db2.gz KIAAHZSOVUXJCH-UHFFFAOYSA-N 1 0 406.501 4.386 40 0 HIABRO Cc1cccc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1C ZINC000223960387 568564517 /nfs/dbraw/zinc/56/45/17/568564517.db2.gz MENXPTFMASNJNF-FQEVSTJZSA-N 1 0 400.950 4.364 40 0 HIABRO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000224094605 568569637 /nfs/dbraw/zinc/56/96/37/568569637.db2.gz DRZGDVBCOGNKDH-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000224434312 568581228 /nfs/dbraw/zinc/58/12/28/568581228.db2.gz LFRFSWGQPBARQM-GOSISDBHSA-N 1 0 408.542 4.444 40 0 HIABRO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000224533176 568583867 /nfs/dbraw/zinc/58/38/67/568583867.db2.gz XITVGTYZQMAZSZ-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO CC(C)C(NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)C(C)C ZINC000059436972 568704087 /nfs/dbraw/zinc/70/40/87/568704087.db2.gz PPISIHKHEFAPLY-UHFFFAOYSA-N 1 0 407.602 4.415 40 0 HIABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2c2ccccc2)CC1 ZINC000257203351 568777190 /nfs/dbraw/zinc/77/71/90/568777190.db2.gz APPPJQMBVKXPGP-QFIPXVFZSA-N 1 0 412.961 4.195 40 0 HIABRO 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 568779770 /nfs/dbraw/zinc/77/97/70/568779770.db2.gz CESYFDAFIHGAGG-WHGMEAMLSA-N 1 0 406.574 4.232 40 0 HIABRO CCNc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)s1 ZINC000257231655 568785257 /nfs/dbraw/zinc/78/52/57/568785257.db2.gz GHQZRWMODQQAEU-BORCDFBASA-N 1 0 424.614 4.240 40 0 HIABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccnc4ccccc34)C[C@H]2c2ccc(F)cc2)N1 ZINC000257238207 568787142 /nfs/dbraw/zinc/78/71/42/568787142.db2.gz HJZKVWCXVSMKNH-WIOPSUGQSA-N 1 0 403.501 4.402 40 0 HIABRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C)c(CC(=O)N3CCCCC3)c(C)n2)C1 ZINC000257286217 568800493 /nfs/dbraw/zinc/80/04/93/568800493.db2.gz PKTJXNHNNUAZBS-HSZRJFAPSA-N 1 0 420.601 4.336 40 0 HIABRO COc1cccc(OC)c1C(=O)N1CC[C@@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257321760 568810819 /nfs/dbraw/zinc/81/08/19/568810819.db2.gz WDCNOWRIZKBUEG-OAHLLOKOSA-N 1 0 424.526 4.237 40 0 HIABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000257322022 568811084 /nfs/dbraw/zinc/81/10/84/568811084.db2.gz WEHOEOXREYMSFE-VWLOTQADSA-N 1 0 414.509 4.004 40 0 HIABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000257322021 568811106 /nfs/dbraw/zinc/81/11/06/568811106.db2.gz WEHOEOXREYMSFE-RUZDIDTESA-N 1 0 414.509 4.004 40 0 HIABRO Fc1ccccc1-c1ccccc1C[N@@H+]1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257332651 568813992 /nfs/dbraw/zinc/81/39/92/568813992.db2.gz XYDOUKGUZKJPGN-LJQANCHMSA-N 1 0 416.500 4.227 40 0 HIABRO COCCn1cnc2c1C1(CC[NH+](Cc3cccc(OC)c3)CC1)Oc1ccccc1-2 ZINC000306126757 568889522 /nfs/dbraw/zinc/88/95/22/568889522.db2.gz FENUHIFXLZWUFX-UHFFFAOYSA-N 1 0 419.525 4.089 40 0 HIABRO Cc1ccsc1C[N@H+]1CCN(C)[C@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306134872 568896679 /nfs/dbraw/zinc/89/66/79/568896679.db2.gz OAJSHIJMZCEOHP-NRFANRHFSA-N 1 0 403.555 4.255 40 0 HIABRO Cc1ccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306137350 568899191 /nfs/dbraw/zinc/89/91/91/568899191.db2.gz QUDGLTYIGFJWNH-NFBKMPQASA-N 1 0 412.603 4.062 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1 ZINC000328993092 568971655 /nfs/dbraw/zinc/97/16/55/568971655.db2.gz IYNBJTQOZALAIO-UHFFFAOYSA-N 1 0 416.356 4.401 40 0 HIABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000035075030 569027773 /nfs/dbraw/zinc/02/77/73/569027773.db2.gz DGXHXXKUOLNTRX-QBTGUUFSSA-N 1 0 421.025 4.444 40 0 HIABRO O=C(c1cnc2c(F)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198960 569058932 /nfs/dbraw/zinc/05/89/32/569058932.db2.gz NMMRQOVLVLCJGO-XQYWTEMXSA-N 1 0 421.516 4.115 40 0 HIABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@H]21 ZINC000245227766 569313691 /nfs/dbraw/zinc/31/36/91/569313691.db2.gz UPSVTWZBYSGRDW-MSYCTHLASA-N 1 0 424.932 4.437 40 0 HIABRO CCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009062592 569342205 /nfs/dbraw/zinc/34/22/05/569342205.db2.gz KPEMKONGQLJBFO-UHFFFAOYSA-N 1 0 407.558 4.376 40 0 HIABRO C[C@H](C[N@@H+]1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1)c1ccccc1 ZINC000019456161 569345549 /nfs/dbraw/zinc/34/55/49/569345549.db2.gz XYROXZOIPUUQIU-BWKNWUBXSA-N 1 0 413.565 4.485 40 0 HIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3ccc(-n4cccn4)nc3)cc2)C1 ZINC000019711825 569348235 /nfs/dbraw/zinc/34/82/35/569348235.db2.gz SLORTBVFXBEPQJ-YADHBBJMSA-N 1 0 419.529 4.082 40 0 HIABRO COc1cccc(C[NH+]2CCC3(CC2)CC=CCN(Cc2ccc(F)cc2)C3=O)c1 ZINC000019744741 569348772 /nfs/dbraw/zinc/34/87/72/569348772.db2.gz SHQKHPFPPARJIJ-UHFFFAOYSA-N 1 0 408.517 4.405 40 0 HIABRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccc(-n2cccn2)nc1 ZINC000141553104 569354731 /nfs/dbraw/zinc/35/47/31/569354731.db2.gz PXELNQQCCKJBID-NRFANRHFSA-N 1 0 423.948 4.268 40 0 HIABRO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3ccc4c(c3)OCO4)cc12 ZINC000008606870 569389889 /nfs/dbraw/zinc/38/98/89/569389889.db2.gz NTPBUPYNHWVJQR-UHFFFAOYSA-N 1 0 422.872 4.106 40 0 HIABRO COc1ccccc1/C=C/C[N@@H+]1[C@H](Cc2ccccc2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712125 569429036 /nfs/dbraw/zinc/42/90/36/569429036.db2.gz JBZBQEMABHFCIF-HJCSMPQISA-N 1 0 404.554 4.453 40 0 HIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCC2)Cc2cn(Cc3ccccn3)c3cccc1c23 ZINC000049171666 291261760 /nfs/dbraw/zinc/26/17/60/291261760.db2.gz DVLLKHVARINBOR-GOTSBHOMSA-N 1 0 416.569 4.355 40 0 biogenic,in-vitro HIABRO CN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1 ZINC000008623590 291263826 /nfs/dbraw/zinc/26/38/26/291263826.db2.gz VYNFKKWREKYUGT-VXKWHMMOSA-N 1 0 403.526 4.159 40 0 biogenic,in-vitro HIABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(OCc4ccccc4)CC3)ccc21 ZINC000012291582 132358034 /nfs/dbraw/zinc/35/80/34/132358034.db2.gz ULMPFBAIMIHHAE-RUZDIDTESA-N 1 0 422.569 4.090 40 0 HIABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373141 520287053 /nfs/dbraw/zinc/28/70/53/520287053.db2.gz VNSBGHPPIMJHIE-HSZRJFAPSA-N 1 0 411.586 4.210 40 0 HIABRO COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044786528 521988642 /nfs/dbraw/zinc/98/86/42/521988642.db2.gz DTHRDQNMTZVXKF-SFHVURJKSA-N 1 0 400.906 4.286 40 0 HIABRO COc1ccc2c(c1)C=C(C[N@H+](CCCn1ccnc1)Cc1ccccc1F)CO2 ZINC000043277846 525511014 /nfs/dbraw/zinc/51/10/14/525511014.db2.gz KWHUTXRYGNURCU-UHFFFAOYSA-N 1 0 407.489 4.399 40 0 HIABRO COc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccccc3)CC1)CC(C)(C)O2 ZINC000044855515 525574619 /nfs/dbraw/zinc/57/46/19/525574619.db2.gz SDTIOTYJPTWFOJ-QFIPXVFZSA-N 1 0 408.542 4.326 40 0 HIABRO O=C(Nc1ccc(N2CCCC2=O)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044938343 527223954 /nfs/dbraw/zinc/22/39/54/527223954.db2.gz HSKYYKOQBZMNDT-UHFFFAOYSA-N 1 0 411.933 4.318 40 0 HIABRO CC[NH+](CC)C[C@]1(C)COc2c(Br)cc(Br)cc2C1=O ZINC000005469664 557655592 /nfs/dbraw/zinc/65/55/92/557655592.db2.gz VQNZBSDKAQKMRH-OAHLLOKOSA-N 1 0 405.130 4.135 40 0 HIABRO CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)OCC[NH+](CC)CC)c1=O ZINC000005508768 557658755 /nfs/dbraw/zinc/65/87/55/557658755.db2.gz SDLJMEAYAGQMOC-UHFFFAOYSA-N 1 0 419.525 4.096 40 0 HIABRO Cc1cccc(OCc2nnc(SCC[NH+]3CCCCC3)n2Cc2ccco2)c1 ZINC000035311651 557687605 /nfs/dbraw/zinc/68/76/05/557687605.db2.gz DSBACEBMFPJLHL-UHFFFAOYSA-N 1 0 412.559 4.385 40 0 HIABRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@@H]21 ZINC000035360882 557697006 /nfs/dbraw/zinc/69/70/06/557697006.db2.gz UPSVTWZBYSGRDW-SFYKDHMMSA-N 1 0 424.932 4.437 40 0 HIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000006517673 557706162 /nfs/dbraw/zinc/70/61/62/557706162.db2.gz NREIMOVSDMAQDP-UHFFFAOYSA-N 1 0 418.566 4.109 40 0 HIABRO O=C(COc1cccc(C(F)(F)F)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850162 557765085 /nfs/dbraw/zinc/76/50/85/557765085.db2.gz UKZKGFFFNITNIR-UHFFFAOYSA-N 1 0 406.448 4.387 40 0 HIABRO CCOc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000008254522 557778506 /nfs/dbraw/zinc/77/85/06/557778506.db2.gz LEOQCZNEJWUDMK-UHFFFAOYSA-N 1 0 418.965 4.130 40 0 HIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)N1CCCCC1 ZINC000019766083 558278232 /nfs/dbraw/zinc/27/82/32/558278232.db2.gz OZQKVTGFMSDJBO-OAQYLSRUSA-N 1 0 417.557 4.272 40 0 HIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000020111793 558336125 /nfs/dbraw/zinc/33/61/25/558336125.db2.gz QTWHTBUHERHJJK-KDURUIRLSA-N 1 0 402.560 4.125 40 0 HIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](Cc2ccccn2)C1 ZINC000012222145 558356120 /nfs/dbraw/zinc/35/61/20/558356120.db2.gz KPLVDPJQIYQJBD-XMMPIXPASA-N 1 0 423.488 4.264 40 0 HIABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1Cn1nc(C)cc1C ZINC000012240453 558360168 /nfs/dbraw/zinc/36/01/68/558360168.db2.gz PUDLRSHISLBPPW-UHFFFAOYSA-N 1 0 423.532 4.180 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc(F)cc1 ZINC000012293764 558367040 /nfs/dbraw/zinc/36/70/40/558367040.db2.gz VRURWJBJLQCDKA-PKTZIBPZSA-N 1 0 407.485 4.363 40 0 HIABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000012293651 558367080 /nfs/dbraw/zinc/36/70/80/558367080.db2.gz KVRVFFDLTWMDDZ-OALUTQOASA-N 1 0 424.324 4.083 40 0 HIABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329567 558384363 /nfs/dbraw/zinc/38/43/63/558384363.db2.gz FEMTVXDWWBMSAV-GOTSBHOMSA-N 1 0 411.542 4.086 40 0 HIABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000012329969 558384913 /nfs/dbraw/zinc/38/49/13/558384913.db2.gz ZIYXCMVAUUECTJ-LEWJYISDSA-N 1 0 417.933 4.041 40 0 HIABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)c1 ZINC000012330131 558385216 /nfs/dbraw/zinc/38/52/16/558385216.db2.gz BVNRXKWUYWWDCR-DNQXCXABSA-N 1 0 419.521 4.233 40 0 HIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039765992 558685871 /nfs/dbraw/zinc/68/58/71/558685871.db2.gz IGEXRNWKHLYJRX-LJQANCHMSA-N 1 0 424.004 4.462 40 0 HIABRO CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030939696 558745423 /nfs/dbraw/zinc/74/54/23/558745423.db2.gz XAERNABGDCUZRD-IBGZPJMESA-N 1 0 411.521 4.206 40 0 HIABRO C[NH+](C)CCCN(Cc1ccco1)Cc1c(-c2ccc(F)cc2)nc2ncccn21 ZINC000036740578 558801908 /nfs/dbraw/zinc/80/19/08/558801908.db2.gz UTSVUGNGKFBBDC-UHFFFAOYSA-N 1 0 407.493 4.082 40 0 HIABRO COc1ccc(OC)c(C[N@@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000019117080 558842263 /nfs/dbraw/zinc/84/22/63/558842263.db2.gz XNDRUKDSFQQENG-AWEZNQCLSA-N 1 0 420.435 4.063 40 0 HIABRO Cc1cccc(C[NH+]2CCC([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)n1 ZINC000019236171 558855390 /nfs/dbraw/zinc/85/53/90/558855390.db2.gz SXFYJDVFDNQHIY-XMMPIXPASA-N 1 0 418.516 4.307 40 0 HIABRO Cc1cccc(C[NH+]2CCC([C@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)n1 ZINC000019236166 558855430 /nfs/dbraw/zinc/85/54/30/558855430.db2.gz QCLLQVMVQZXOKE-VWLOTQADSA-N 1 0 406.574 4.435 40 0 HIABRO O=C1CCC[C@]2(C[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]2c2ccncc2)N1 ZINC000019330895 558868151 /nfs/dbraw/zinc/86/81/51/558868151.db2.gz AQMCDLQOAWPWGU-UKILVPOCSA-N 1 0 405.542 4.041 40 0 HIABRO Fc1cccc(-c2cccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)c2)c1 ZINC000019331376 558868365 /nfs/dbraw/zinc/86/83/65/558868365.db2.gz HDJGGXJRSIHWMQ-UHFFFAOYSA-N 1 0 405.517 4.222 40 0 HIABRO O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]21 ZINC000019401845 558883806 /nfs/dbraw/zinc/88/38/06/558883806.db2.gz XYSUWFQIVYPFDR-YPAWHYETSA-N 1 0 421.541 4.413 40 0 HIABRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1)c1cc2cc(Cl)ccc2o1 ZINC000019458506 558892643 /nfs/dbraw/zinc/89/26/43/558892643.db2.gz ZSTLIDHLKKPAHT-JKSUJKDBSA-N 1 0 403.954 4.070 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502946 558900410 /nfs/dbraw/zinc/90/04/10/558900410.db2.gz GKNVNRGOJZBEDA-VWLOTQADSA-N 1 0 414.553 4.057 40 0 HIABRO CCOCc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)ccc1OC ZINC000019531076 558911642 /nfs/dbraw/zinc/91/16/42/558911642.db2.gz RIVSSOGBENOQON-OFFJZUQKSA-N 1 0 411.542 4.255 40 0 HIABRO Cc1nc(C2CC[NH2+]CC2)ncc1-c1nc(NC(C)C)ncc1-c1ccc(F)cc1 ZINC000019552675 558916096 /nfs/dbraw/zinc/91/60/96/558916096.db2.gz HBPCXHZYFVHTGZ-UHFFFAOYSA-N 1 0 406.509 4.335 40 0 HIABRO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000072352335 558948470 /nfs/dbraw/zinc/94/84/70/558948470.db2.gz VKXIHLRLAANRRG-IBGZPJMESA-N 1 0 408.567 4.310 40 0 HIABRO COc1ccccc1C[NH+]1CCC(C(=O)Nc2nnc(C3CCCCC3)s2)CC1 ZINC000019661216 558952274 /nfs/dbraw/zinc/95/22/74/558952274.db2.gz GFGVATQFMYQINE-UHFFFAOYSA-N 1 0 414.575 4.445 40 0 HIABRO O=C(CCc1ccc(F)cc1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355235 558952645 /nfs/dbraw/zinc/95/26/45/558952645.db2.gz CQSYNEQLUDBZBW-OAQYLSRUSA-N 1 0 409.549 4.099 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361005 558955723 /nfs/dbraw/zinc/95/57/23/558955723.db2.gz MGAPHMWQVDUZKF-INIZCTEOSA-N 1 0 402.523 4.194 40 0 HIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C1)CO2 ZINC000019688708 558958109 /nfs/dbraw/zinc/95/81/09/558958109.db2.gz VNNVJIKMUVUHCS-FQEVSTJZSA-N 1 0 416.525 4.146 40 0 HIABRO COc1ccc2c(C[N@@H+]3CCC[C@@H](c4ccc(-c5cncnc5)cn4)C3)cn(C)c2c1 ZINC000019689295 558958508 /nfs/dbraw/zinc/95/85/08/558958508.db2.gz VTGUFKMWMCWINR-LJQANCHMSA-N 1 0 413.525 4.419 40 0 HIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+]3Cc3cccc(OC)c3)c2)cn1 ZINC000019691036 558960546 /nfs/dbraw/zinc/96/05/46/558960546.db2.gz RQZFNNNNQBVSSO-XMMPIXPASA-N 1 0 416.525 4.157 40 0 HIABRO CCCn1ncc2ccc([C@H]3CCCN(C(=O)CC4=CC(C)(C)[NH2+]C(C)(C)C4)C3)nc21 ZINC000072374488 558962248 /nfs/dbraw/zinc/96/22/48/558962248.db2.gz FAKWTHWMURWGGV-FQEVSTJZSA-N 1 0 423.605 4.414 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 ZINC000072376672 558966185 /nfs/dbraw/zinc/96/61/85/558966185.db2.gz UUNSMEWXYNJUNT-LJQANCHMSA-N 1 0 402.546 4.026 40 0 HIABRO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1cccnc1 ZINC000072380063 558967975 /nfs/dbraw/zinc/96/79/75/558967975.db2.gz HBRSZYSANCMWMA-IBGZPJMESA-N 1 0 423.582 4.006 40 0 HIABRO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ccccn1 ZINC000072380079 558968027 /nfs/dbraw/zinc/96/80/27/558968027.db2.gz GFBGYQDRVFJYRE-IBGZPJMESA-N 1 0 423.582 4.006 40 0 HIABRO CNc1cc([C@H]2CCC[NH2+]C2)nc(CN(C)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000019709977 558971840 /nfs/dbraw/zinc/97/18/40/558971840.db2.gz UJEFRFXAOVVHBO-QFIPXVFZSA-N 1 0 401.558 4.284 40 0 HIABRO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@@H+]4C[C@H]4CCCO4)CC3)oc21 ZINC000585100855 559025510 /nfs/dbraw/zinc/02/55/10/559025510.db2.gz ZAXHYZFIEGOQGA-DVECYGJZSA-N 1 0 412.530 4.081 40 0 HIABRO O=C(Cc1ccccc1)N1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc12 ZINC000585105725 559026771 /nfs/dbraw/zinc/02/67/71/559026771.db2.gz DQMIAJZIUQACDF-UHFFFAOYSA-N 1 0 411.549 4.200 40 0 HIABRO 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 559029733 /nfs/dbraw/zinc/02/97/33/559029733.db2.gz HJZQZXWJSWBFPO-IJXRJRJASA-N 1 0 415.990 4.250 40 0 HIABRO CN1CCn2c(-c3cccc(F)c3)cnc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096036966 559090765 /nfs/dbraw/zinc/09/07/65/559090765.db2.gz ISFMWTVLTGZZDZ-UHFFFAOYSA-N 1 0 408.496 4.265 40 0 HIABRO COc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccc(C)s3)CC2)cc1 ZINC000096037076 559090944 /nfs/dbraw/zinc/09/09/44/559090944.db2.gz XZAOMXOMCWQXIF-UHFFFAOYSA-N 1 0 422.598 4.365 40 0 HIABRO COc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4ccc(C)cc4)n2CCN3C)cc1 ZINC000096037086 559090946 /nfs/dbraw/zinc/09/09/46/559090946.db2.gz IYWIEKQXFZZTCD-UHFFFAOYSA-N 1 0 416.569 4.304 40 0 HIABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)s1 ZINC000096052808 559092484 /nfs/dbraw/zinc/09/24/84/559092484.db2.gz LXRMLPHGGGKYBO-HXUWFJFHSA-N 1 0 424.610 4.327 40 0 HIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21 ZINC000096053476 559093539 /nfs/dbraw/zinc/09/35/39/559093539.db2.gz HLTGCCHVGSNSBM-HXUWFJFHSA-N 1 0 407.558 4.241 40 0 HIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21 ZINC000096053477 559093567 /nfs/dbraw/zinc/09/35/67/559093567.db2.gz HLTGCCHVGSNSBM-FQEVSTJZSA-N 1 0 407.558 4.241 40 0 HIABRO C[N@@H+]1CCCN(C(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)CC1 ZINC000096154477 559098917 /nfs/dbraw/zinc/09/89/17/559098917.db2.gz LKILEWVKPOTSGR-UHFFFAOYSA-N 1 0 418.522 4.396 40 0 HIABRO C[NH+](C)C1CCN(C(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)CC1 ZINC000096154736 559099172 /nfs/dbraw/zinc/09/91/72/559099172.db2.gz RKFHEHYWIPFJGM-UHFFFAOYSA-N 1 0 405.546 4.084 40 0 HIABRO O=C(c1ccccc1Cn1cccn1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000585261903 559109525 /nfs/dbraw/zinc/10/95/25/559109525.db2.gz OQKSNALJDZZNIL-SDHOMARFSA-N 1 0 414.553 4.072 40 0 HIABRO O[C@H]1CC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282014 559119716 /nfs/dbraw/zinc/11/97/16/559119716.db2.gz FPCSBKLMSUICJI-OHCFRWENSA-N 1 0 415.961 4.243 40 0 HIABRO CN1CC[NH+](CCCN2c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@H]32)CC1 ZINC000103654683 559156616 /nfs/dbraw/zinc/15/66/16/559156616.db2.gz RQVPJKVPRLTSPS-QUCCMNQESA-N 1 0 409.521 4.032 40 0 HIABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216485 559169499 /nfs/dbraw/zinc/16/94/99/559169499.db2.gz CBAWSYUGOGQGQA-FQEVSTJZSA-N 1 0 402.583 4.322 40 0 HIABRO C[N@@H+]1CCC[C@H](CNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257216949 559282707 /nfs/dbraw/zinc/28/27/07/559282707.db2.gz CWUPIGSVGLWUMX-OAQYLSRUSA-N 1 0 424.560 4.290 40 0 HIABRO Cc1cccc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 ZINC000004231182 560602879 /nfs/dbraw/zinc/60/28/79/560602879.db2.gz UYCHFDMCFLJKQR-UHFFFAOYSA-N 1 0 412.921 4.086 40 0 HIABRO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000004231271 560603078 /nfs/dbraw/zinc/60/30/78/560603078.db2.gz UZOUHTYFELNLFP-UHFFFAOYSA-N 1 0 424.520 4.215 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N[C@H]4CCCC[C@H]4C)on3)C2)c1 ZINC000409412749 560723016 /nfs/dbraw/zinc/72/30/16/560723016.db2.gz JPEBFZYLMGIAJL-LMNJBCLMSA-N 1 0 411.546 4.371 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccc(-n3ccnc3C)cc2)C[C@@H]2CCCO2)cc1OC ZINC000013994216 560831596 /nfs/dbraw/zinc/83/15/96/560831596.db2.gz NISYBYUUGVRKHY-QHCPKHFHSA-N 1 0 421.541 4.379 40 0 HIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773443 568497706 /nfs/dbraw/zinc/49/77/06/568497706.db2.gz HKGRMKDWBQAIJM-UTKZUKDTSA-N 1 0 417.575 4.030 40 0 HIABRO Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223235361 568541943 /nfs/dbraw/zinc/54/19/43/568541943.db2.gz RQZBFGQZPZBQLB-GOTSBHOMSA-N 1 0 419.598 4.105 40 0 HIABRO Cc1nccn1Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224853506 568600381 /nfs/dbraw/zinc/60/03/81/568600381.db2.gz MRVODMSNFXGTNH-UHFFFAOYSA-N 1 0 402.542 4.156 40 0 HIABRO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000225006769 568608584 /nfs/dbraw/zinc/60/85/84/568608584.db2.gz REIFHGLMIGVXQH-UHFFFAOYSA-N 1 0 413.949 4.027 40 0 HIABRO O=C(NCCC[NH+]1CCCCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225581750 568654037 /nfs/dbraw/zinc/65/40/37/568654037.db2.gz RMQYVSLLKHLHAQ-UHFFFAOYSA-N 1 0 409.977 4.073 40 0 HIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(Br)cc2F)C1 ZINC000225729390 568668578 /nfs/dbraw/zinc/66/85/78/568668578.db2.gz QUWBDHHIBJLCQQ-STQMWFEESA-N 1 0 402.377 4.243 40 0 HIABRO S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000225742397 568670324 /nfs/dbraw/zinc/67/03/24/568670324.db2.gz BNGWEYYBLQNEGT-UHFFFAOYSA-N 1 0 404.377 4.184 40 0 HIABRO CC(C)C[C@H]1C[N@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)CC[C@H]1Nc1ccccc1 ZINC000257209598 568778922 /nfs/dbraw/zinc/77/89/22/568778922.db2.gz BQZSTMPWJXSFRO-RBBKRZOGSA-N 1 0 406.574 4.226 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C(N)=O)cc2)nc1 ZINC000257213491 568779942 /nfs/dbraw/zinc/77/99/42/568779942.db2.gz CHUJMIYNMMXBLP-JOCHJYFZSA-N 1 0 401.514 4.011 40 0 HIABRO CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000257232105 568785341 /nfs/dbraw/zinc/78/53/41/568785341.db2.gz GJLNPKFSNPLRAY-UHFFFAOYSA-N 1 0 410.562 4.189 40 0 HIABRO CC(C)(C)NC(=O)[C@@H]1C[C@H](C(=O)c2cccc(Cl)c2)[C@H](c2cccc(F)c2)[NH2+]1 ZINC000257264328 568794017 /nfs/dbraw/zinc/79/40/17/568794017.db2.gz LTYJKLBFNSRYAJ-FHWLQOOXSA-N 1 0 402.897 4.296 40 0 HIABRO COCC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCC3)CC2)C1 ZINC000257271113 568795950 /nfs/dbraw/zinc/79/59/50/568795950.db2.gz MWXJBWQCKXGYQW-UHFFFAOYSA-N 1 0 414.590 4.248 40 0 HIABRO CC(C)c1ccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000257273358 568796600 /nfs/dbraw/zinc/79/66/00/568796600.db2.gz NGFJTOWVYWHATR-KDURUIRLSA-N 1 0 424.589 4.162 40 0 HIABRO CCCOc1ccccc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)[nH]n1 ZINC000257302187 568804976 /nfs/dbraw/zinc/80/49/76/568804976.db2.gz SBVQOUZWKAOORW-ZZRIFKAOSA-N 1 0 422.573 4.343 40 0 HIABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4ccnc(C)n4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257324727 568811888 /nfs/dbraw/zinc/81/18/88/568811888.db2.gz WPWUMAYLHRHDPH-JTHBVZDNSA-N 1 0 423.557 4.325 40 0 HIABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cncc(Cc2cccc(F)c2)c1 ZINC000257340882 568816298 /nfs/dbraw/zinc/81/62/98/568816298.db2.gz ZHXQGEBSMBLXPB-ONTNHIFESA-N 1 0 407.533 4.289 40 0 HIABRO O=C1N(Cc2cccs2)CC[C@]12C[N@H+](Cc1ccccc1)C[C@H]2c1nccs1 ZINC000306128664 568891432 /nfs/dbraw/zinc/89/14/32/568891432.db2.gz HHTRHXBPXRUMCB-SIKLNZKXSA-N 1 0 409.580 4.223 40 0 HIABRO Cc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306144382 568905926 /nfs/dbraw/zinc/90/59/26/568905926.db2.gz ZDSRTJYVWFOHFL-DHLKQENFSA-N 1 0 406.574 4.001 40 0 HIABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329018905 568972749 /nfs/dbraw/zinc/97/27/49/568972749.db2.gz NTMVWGCMZIZBAG-UHFFFAOYSA-N 1 0 416.356 4.401 40 0 HIABRO CC[C@H](OC[C@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1)c1ccccc1 ZINC000026781625 569025615 /nfs/dbraw/zinc/02/56/15/569025615.db2.gz XDGHMINXQDHNKB-GGAORHGYSA-N 1 0 402.966 4.299 40 0 HIABRO COc1ccc2c(ccn2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000257199100 569059007 /nfs/dbraw/zinc/05/90/07/569059007.db2.gz SFHCSZLHAMASRL-DCDYHQBJSA-N 1 0 419.569 4.072 40 0 HIABRO O=C(O[C@H]1C[NH+]2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 ZINC000003965738 569255202 /nfs/dbraw/zinc/25/52/02/569255202.db2.gz UXZDMXYRRQJIBJ-IBGZPJMESA-N 1 0 408.395 4.480 40 0 investigational HIABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 ZINC000253602667 569318456 /nfs/dbraw/zinc/31/84/56/569318456.db2.gz QJSFELWRKPQBHH-LYHRCORUSA-N 1 0 405.542 4.020 40 0 HIABRO COc1cc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1OC(C)C ZINC000009062598 569342199 /nfs/dbraw/zinc/34/21/99/569342199.db2.gz WGFWRYODWGZKFW-UHFFFAOYSA-N 1 0 410.558 4.319 40 0 HIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000009062753 569342217 /nfs/dbraw/zinc/34/22/17/569342217.db2.gz MHHPONAMEGBQCH-HDICACEKSA-N 1 0 424.004 4.175 40 0 HIABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000009063069 569342334 /nfs/dbraw/zinc/34/23/34/569342334.db2.gz FMURACZIOAZIRM-UHFFFAOYSA-N 1 0 400.906 4.286 40 0 HIABRO CCN(CC)C(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063544 569342456 /nfs/dbraw/zinc/34/24/56/569342456.db2.gz USXUMEPOUGVFPL-UHFFFAOYSA-N 1 0 411.521 4.158 40 0 HIABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1 ZINC000019450862 569345417 /nfs/dbraw/zinc/34/54/17/569345417.db2.gz BJRBZQWKHCRGEZ-XUZZJYLKSA-N 1 0 407.558 4.348 40 0 HIABRO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CC[N@@H+](C5CCCC5)C4)nc32)c1 ZINC000019696160 569346759 /nfs/dbraw/zinc/34/67/59/569346759.db2.gz FSLYTSBXPGGNLX-OAQYLSRUSA-N 1 0 418.585 4.347 40 0 HIABRO Cc1nc([C@]2(O)CCC[N@H+](CC3CC3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019738674 569348503 /nfs/dbraw/zinc/34/85/03/569348503.db2.gz OBAYCCSTMALQPL-QFIPXVFZSA-N 1 0 404.551 4.296 40 0 HIABRO Cc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044852459 569351980 /nfs/dbraw/zinc/35/19/80/569351980.db2.gz CPXDLIPEINJTDC-ICSRJNTNSA-N 1 0 400.950 4.444 40 0 HIABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(Cc1ccc(-c3cccc(F)c3)cc1)C2 ZINC000019707454 569428859 /nfs/dbraw/zinc/42/88/59/569428859.db2.gz ILZIYAOTVKYNEL-QFIPXVFZSA-N 1 0 417.532 4.307 40 0 HIABRO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(-n3cccn3)cc2)N1Cc1ccccc1 ZINC000019713862 569429064 /nfs/dbraw/zinc/42/90/64/569429064.db2.gz WJWJTIKBEANCEF-RPBOFIJWSA-N 1 0 414.553 4.418 40 0 HIABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328995127 571309733 /nfs/dbraw/zinc/30/97/33/571309733.db2.gz JGFGDXMHGXVQEU-UHFFFAOYSA-N 1 0 423.358 4.976 40 0 HIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCCC2)Cc2cn(Cc3ccccn3)c3cccc1c23 ZINC000049171965 291261583 /nfs/dbraw/zinc/26/15/83/291261583.db2.gz PUHDXRYKNZMRBX-GOTSBHOMSA-N 1 0 416.569 4.309 40 0 biogenic,in-vitro HIABRO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)nc2c1 ZINC000049169124 291263287 /nfs/dbraw/zinc/26/32/87/291263287.db2.gz ZAXWVOKOUBNIOI-HNNXBMFYSA-N 1 0 409.511 4.092 40 0 biogenic,in-vitro HIABRO C[NH+]1CCC(N2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)CC1 ZINC000035425515 291263803 /nfs/dbraw/zinc/26/38/03/291263803.db2.gz YKECNROBMZZCLZ-FQEVSTJZSA-N 1 0 411.550 4.074 40 0 biogenic,in-vitro HIABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)Nc3ccccc3)no2)cc1 ZINC000008623683 291265619 /nfs/dbraw/zinc/26/56/19/291265619.db2.gz PJIUCGDYPBJPJS-OALUTQOASA-N 1 0 405.498 4.147 40 0 biogenic,in-vitro HIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1cccs1 ZINC000015673323 291269361 /nfs/dbraw/zinc/26/93/61/291269361.db2.gz KNZXTLFYBQFYKF-IRXDYDNUSA-N 1 0 413.518 4.017 40 0 biogenic,in-vitro HIABRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000006517638 132311477 /nfs/dbraw/zinc/31/14/77/132311477.db2.gz DYWOIRALTFSLOM-UHFFFAOYSA-N 1 0 408.329 4.153 40 0 HIABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(OCc4ccccc4)CC3)ccc21 ZINC000012291580 132358025 /nfs/dbraw/zinc/35/80/25/132358025.db2.gz ULMPFBAIMIHHAE-VWLOTQADSA-N 1 0 422.569 4.090 40 0 HIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000012292962 132358028 /nfs/dbraw/zinc/35/80/28/132358028.db2.gz MLKIVYBGMVJDFW-UHFFFAOYSA-N 1 0 409.549 4.443 40 0 HIABRO CC1CC[NH+](CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)CC1 ZINC000044946501 521008490 /nfs/dbraw/zinc/00/84/90/521008490.db2.gz VEURTPYDWTWPEM-UHFFFAOYSA-N 1 0 405.586 4.491 40 0 HIABRO CCOC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911381 521541951 /nfs/dbraw/zinc/54/19/51/521541951.db2.gz NHLXBVCOKMNBIV-GOSISDBHSA-N 1 0 400.906 4.367 40 0 HIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000044856844 522668428 /nfs/dbraw/zinc/66/84/28/522668428.db2.gz NUCMROAKSFOTEG-OAQYLSRUSA-N 1 0 414.521 4.322 40 0 HIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnc(N3CCCCC3)nc2)s1 ZINC000043277883 524406722 /nfs/dbraw/zinc/40/67/22/524406722.db2.gz LSLBWCNCDTWBHG-UHFFFAOYSA-N 1 0 410.591 4.126 40 0 HIABRO COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908466 524969036 /nfs/dbraw/zinc/96/90/36/524969036.db2.gz LCTBWTLRTGOEFU-IEBWSBKVSA-N 1 0 416.949 4.144 40 0 HIABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000036719519 527011808 /nfs/dbraw/zinc/01/18/08/527011808.db2.gz RCDGKTQNBFLVAZ-PXNSSMCTSA-N 1 0 410.518 4.061 40 0 HIABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000036719518 527012618 /nfs/dbraw/zinc/01/26/18/527012618.db2.gz RCDGKTQNBFLVAZ-XLIONFOSSA-N 1 0 410.518 4.061 40 0 HIABRO Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000019756691 527171715 /nfs/dbraw/zinc/17/17/15/527171715.db2.gz DTJUNYUFMFCRNI-IBGZPJMESA-N 1 0 410.537 4.422 40 0 HIABRO CC[NH+](CC)CCNc1nc(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000001651985 557278776 /nfs/dbraw/zinc/27/87/76/557278776.db2.gz FMZISUFIDHCBKG-UHFFFAOYSA-N 1 0 413.529 4.090 40 0 HIABRO C[N@H+](CC[C@H]1c2ccccc2COc2ccccc21)C[C@H](O)COc1ccccc1 ZINC000001846320 557291803 /nfs/dbraw/zinc/29/18/03/557291803.db2.gz SZQLTQPHXXXMNC-URXFXBBRSA-N 1 0 403.522 4.473 40 0 in-man HIABRO CC[NH+](CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231346 557530716 /nfs/dbraw/zinc/53/07/16/557530716.db2.gz BVXQTFUZPYIBDJ-UHFFFAOYSA-N 1 0 406.530 4.212 40 0 HIABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@@H]21 ZINC000035360884 557697033 /nfs/dbraw/zinc/69/70/33/557697033.db2.gz UPSVTWZBYSGRDW-YDHSSHFGSA-N 1 0 424.932 4.437 40 0 HIABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCC(=O)NC(C)(C)C ZINC000008254396 557778529 /nfs/dbraw/zinc/77/85/29/557778529.db2.gz DPYIKENIUPYJOA-UHFFFAOYSA-N 1 0 414.590 4.293 40 0 HIABRO COc1cc(CNCCC[NH+](C)C)cc(Br)c1OCc1ccccc1 ZINC000008373827 557784198 /nfs/dbraw/zinc/78/41/98/557784198.db2.gz SKFYXKCDNCRNOP-UHFFFAOYSA-N 1 0 407.352 4.078 40 0 HIABRO Cc1nc([C@H]2CCC[N@@H+]2CC(c2ccccc2)c2ccccc2)nc2c1CC(=O)N2C ZINC000019744278 558264751 /nfs/dbraw/zinc/26/47/51/558264751.db2.gz UTRZFBZNMROXOU-HSZRJFAPSA-N 1 0 412.537 4.273 40 0 HIABRO CCc1cc(C(=O)N2CCC(c3[nH+]c4ccc(F)cn4c3NC(C)(C)C)CC2)on1 ZINC000012087502 558322390 /nfs/dbraw/zinc/32/23/90/558322390.db2.gz MANPXHICRJBINY-UHFFFAOYSA-N 1 0 413.497 4.254 40 0 HIABRO Cc1cc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c(C)n1-c1cccnc1 ZINC000012089320 558323603 /nfs/dbraw/zinc/32/36/03/558323603.db2.gz DQHJNLUYGKDVPA-NRFANRHFSA-N 1 0 402.498 4.234 40 0 HIABRO OC1(Cn2c(C(F)(F)F)cc3cccnc32)CC[NH+](Cc2ccccc2F)CC1 ZINC000012132415 558333009 /nfs/dbraw/zinc/33/30/09/558333009.db2.gz CCKDHUOGIDGYQN-UHFFFAOYSA-N 1 0 407.411 4.221 40 0 HIABRO COc1ccc(-c2ccccc2)cc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C)O ZINC000012185717 558344946 /nfs/dbraw/zinc/34/49/46/558344946.db2.gz NWAUCLUEDNTRAF-GOSISDBHSA-N 1 0 405.494 4.474 40 0 HIABRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C2)CCCCC3)ccc1OCC(N)=O ZINC000012228117 558357339 /nfs/dbraw/zinc/35/73/39/558357339.db2.gz OIUYMHKLLTZGEX-OAQYLSRUSA-N 1 0 408.542 4.109 40 0 HIABRO CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cc1OC ZINC000012238584 558359204 /nfs/dbraw/zinc/35/92/04/558359204.db2.gz DRHVLTUZEUHNAZ-KEVCNVLYSA-N 1 0 411.542 4.222 40 0 HIABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cccc3c2C(=O)N(C)C3)cc1 ZINC000012241241 558360452 /nfs/dbraw/zinc/36/04/52/558360452.db2.gz NVTVUXPLEMAGKC-MJGOQNOKSA-N 1 0 405.542 4.045 40 0 HIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc(Cl)cc1 ZINC000012329788 558384888 /nfs/dbraw/zinc/38/48/88/558384888.db2.gz OATZSZXAZZJPSJ-OALUTQOASA-N 1 0 408.325 4.378 40 0 HIABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)c1 ZINC000012330126 558385152 /nfs/dbraw/zinc/38/51/52/558385152.db2.gz BVNRXKWUYWWDCR-RPWUZVMVSA-N 1 0 419.521 4.233 40 0 HIABRO COc1ccccc1C1(O)CC[NH+](Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000012330686 558385425 /nfs/dbraw/zinc/38/54/25/558385425.db2.gz MXFMGTZDQWNMJO-UHFFFAOYSA-N 1 0 405.542 4.290 40 0 HIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cnn(Cc2ccccc2)c1C)Cc1cccnc1 ZINC000022913670 558520501 /nfs/dbraw/zinc/52/05/01/558520501.db2.gz TZEGOVONKRRQBS-RUZDIDTESA-N 1 0 403.574 4.121 40 0 HIABRO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000028220434 558693109 /nfs/dbraw/zinc/69/31/09/558693109.db2.gz VZYVJRQXNDGHKN-IBGZPJMESA-N 1 0 415.940 4.040 40 0 HIABRO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030939055 558745327 /nfs/dbraw/zinc/74/53/27/558745327.db2.gz ZSYPPYZNQREULR-INIZCTEOSA-N 1 0 404.869 4.116 40 0 HIABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)c3cccc4c3C(=O)N(C)C4)cc2)[C@H](C)C1 ZINC000036734968 558801398 /nfs/dbraw/zinc/80/13/98/558801398.db2.gz HSFUCFDYZBHSEG-QUCCMNQESA-N 1 0 419.569 4.435 40 0 HIABRO CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038854318 558819199 /nfs/dbraw/zinc/81/91/99/558819199.db2.gz BVNLHAIHWPPMRI-GOSISDBHSA-N 1 0 413.949 4.329 40 0 HIABRO Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H](C)C[NH+](C(C)C)C(C)C)c12 ZINC000013642135 558831092 /nfs/dbraw/zinc/83/10/92/558831092.db2.gz QXXNLYGKGBVYCT-CQSZACIVSA-N 1 0 400.548 4.497 40 0 HIABRO COc1cc2c(cc1C[NH+]1CCC([C@H](NC(C)=O)c3ccccn3)CC1)CCCC2 ZINC000019020473 558837772 /nfs/dbraw/zinc/83/77/72/558837772.db2.gz LZKIKUJPVLRJEE-VWLOTQADSA-N 1 0 407.558 4.058 40 0 HIABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)cc1 ZINC000019118673 558842605 /nfs/dbraw/zinc/84/26/05/558842605.db2.gz COZNPLAHKRXDMF-UHFFFAOYSA-N 1 0 407.543 4.247 40 0 HIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019133465 558845795 /nfs/dbraw/zinc/84/57/95/558845795.db2.gz FLFXLRFQWQQBGS-LJQANCHMSA-N 1 0 407.518 4.160 40 0 HIABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019236846 558856026 /nfs/dbraw/zinc/85/60/26/558856026.db2.gz LXFLZVAOCGTPQK-HYBUGGRVSA-N 1 0 400.526 4.168 40 0 HIABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019236847 558856150 /nfs/dbraw/zinc/85/61/50/558856150.db2.gz LXFLZVAOCGTPQK-RDPSFJRHSA-N 1 0 400.526 4.168 40 0 HIABRO Cc1nc(C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285335 558859728 /nfs/dbraw/zinc/85/97/28/558859728.db2.gz HGTAIBCJMKCIGA-OAQYLSRUSA-N 1 0 419.916 4.195 40 0 HIABRO Cn1ncc(Cl)c1C(=O)NC1CC[NH+](C[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000019288558 558861485 /nfs/dbraw/zinc/86/14/85/558861485.db2.gz BLITXXJQFHMVCV-HXUWFJFHSA-N 1 0 414.981 4.242 40 0 HIABRO O=c1cc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc(-c2ccncc2)[nH]1 ZINC000019292612 558864422 /nfs/dbraw/zinc/86/44/22/558864422.db2.gz WUTCATSAZACOIB-CQSZACIVSA-N 1 0 401.297 4.128 40 0 HIABRO O=C(NCC1(c2ccccc2F)CCOCC1)c1ccc(C[NH+]2CCCCCC2)o1 ZINC000019347971 558874052 /nfs/dbraw/zinc/87/40/52/558874052.db2.gz QRCCLERIPDJTNF-UHFFFAOYSA-N 1 0 414.521 4.273 40 0 HIABRO O=C(N[C@H]1CCCOC1)c1cc(C2CC[NH+](Cc3cccc4ccccc43)CC2)no1 ZINC000019376370 558882271 /nfs/dbraw/zinc/88/22/71/558882271.db2.gz ISTZWMKBYFRKPC-NRFANRHFSA-N 1 0 419.525 4.116 40 0 HIABRO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449635 558888216 /nfs/dbraw/zinc/88/82/16/558888216.db2.gz RVBLKSWCPGBPQS-AREMUKBSSA-N 1 0 414.553 4.103 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503063 558900291 /nfs/dbraw/zinc/90/02/91/558900291.db2.gz MYXSATJREONUKW-RUZDIDTESA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503059 558900383 /nfs/dbraw/zinc/90/03/83/558900383.db2.gz BPLPOQFEHLEACS-RUZDIDTESA-N 1 0 414.553 4.057 40 0 HIABRO CCCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000019525500 558906673 /nfs/dbraw/zinc/90/66/73/558906673.db2.gz BHEAYFYTQBZZMW-KRWDZBQOSA-N 1 0 408.550 4.042 40 0 HIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cnc(-c2ccc(OC)cc2)nc1)Cc1ccccn1 ZINC000019527177 558908335 /nfs/dbraw/zinc/90/83/35/558908335.db2.gz SSZNSKWADYFNFA-HSZRJFAPSA-N 1 0 417.557 4.034 40 0 HIABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000019529139 558910887 /nfs/dbraw/zinc/91/08/87/558910887.db2.gz FLUUEIOPKYXKPL-SANMLTNESA-N 1 0 417.528 4.459 40 0 HIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(NC)nc(-c4cccnc4)n3)C2)cc1 ZINC000019533236 558912998 /nfs/dbraw/zinc/91/29/98/558912998.db2.gz UACGECBIGJHZKW-HXUWFJFHSA-N 1 0 403.530 4.359 40 0 HIABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](Cc4cc(C)c(O)c(C)c4)C3)cc2n1 ZINC000019569957 558928731 /nfs/dbraw/zinc/92/87/31/558928731.db2.gz IUWNWQHBWMXWME-MRXNPFEDSA-N 1 0 404.436 4.368 40 0 HIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c1F ZINC000072330568 558934995 /nfs/dbraw/zinc/93/49/95/558934995.db2.gz OPOBWJKZYGNXNO-CVDCTZTESA-N 1 0 411.521 4.099 40 0 HIABRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c2ccccc21 ZINC000072330567 558935003 /nfs/dbraw/zinc/93/50/03/558935003.db2.gz ZAWCIFMIKYXEES-NLFFAJNJSA-N 1 0 416.569 4.443 40 0 HIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C2CCC2)c2ccccn2)C1 ZINC000072330571 558935214 /nfs/dbraw/zinc/93/52/14/558935214.db2.gz DFYFKYDNKVXCGW-YKSBVNFPSA-N 1 0 407.558 4.268 40 0 HIABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000072352142 558948271 /nfs/dbraw/zinc/94/82/71/558948271.db2.gz MMUZSYROHXBJAF-UHFFFAOYSA-N 1 0 410.562 4.268 40 0 HIABRO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072352543 558949009 /nfs/dbraw/zinc/94/90/09/558949009.db2.gz VJGVAOPAGDXNNB-INIZCTEOSA-N 1 0 402.523 4.194 40 0 HIABRO Cc1ccc2nc(-c3ccccn3)cc(C(=O)N3CCC(CC[NH+](C)C)CC3)c2c1 ZINC000019665121 558955480 /nfs/dbraw/zinc/95/54/80/558955480.db2.gz BYAFVEBQPKCNQB-UHFFFAOYSA-N 1 0 402.542 4.409 40 0 HIABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1cccnc1NC ZINC000072370485 558956867 /nfs/dbraw/zinc/95/68/67/558956867.db2.gz TVARJJHKQSOLMM-QGZVFWFLSA-N 1 0 408.571 4.295 40 0 HIABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1cccnc1N(C)C ZINC000072370491 558957000 /nfs/dbraw/zinc/95/70/00/558957000.db2.gz JYWXEGMVOJQALV-SFHVURJKSA-N 1 0 422.598 4.319 40 0 HIABRO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000072370669 558957238 /nfs/dbraw/zinc/95/72/38/558957238.db2.gz ILQUHHNTPKQDAB-SFHVURJKSA-N 1 0 400.588 4.475 40 0 HIABRO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cccc(OC)c4)C3)[nH]n2)cc1 ZINC000072371255 558957807 /nfs/dbraw/zinc/95/78/07/558957807.db2.gz RKWIUFLVNBDPDD-LJQANCHMSA-N 1 0 407.514 4.038 40 0 HIABRO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3CC(=O)N3CCC(C)CC3)c2)s1 ZINC000072372497 558959892 /nfs/dbraw/zinc/95/98/92/558959892.db2.gz JGMLFDXQTGEGSZ-HXUWFJFHSA-N 1 0 413.591 4.294 40 0 HIABRO Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694316 558962726 /nfs/dbraw/zinc/96/27/26/558962726.db2.gz IKFQWTZIZGEHST-OAQYLSRUSA-N 1 0 408.525 4.118 40 0 HIABRO Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C2)s1 ZINC000072374939 558963450 /nfs/dbraw/zinc/96/34/50/558963450.db2.gz SWKYZAVLPSLMFJ-MRXNPFEDSA-N 1 0 408.531 4.017 40 0 HIABRO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCC[N@@H+]3C3CCCC3)nc21 ZINC000019695977 558964276 /nfs/dbraw/zinc/96/42/76/558964276.db2.gz IWSJVAQHTCRGNH-OAQYLSRUSA-N 1 0 420.557 4.353 40 0 HIABRO CC(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1c2cccnc2[nH]c1C1CC1 ZINC000072395510 558974272 /nfs/dbraw/zinc/97/42/72/558974272.db2.gz FHPNYZMBQKZRGG-NHCUHLMSSA-N 1 0 402.542 4.181 40 0 HIABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccc(OCc5ccccn5)cc4)C[C@@H]32)nc1 ZINC000072395428 558974316 /nfs/dbraw/zinc/97/43/16/558974316.db2.gz HXWPCGITNVCHQL-LJGDZFJRSA-N 1 0 415.537 4.094 40 0 HIABRO COc1cc2c(c(C[NH2+]CC3(c4cccc(F)c4)CCOCC3)cn2C)c(OC)c1 ZINC000019715819 558977005 /nfs/dbraw/zinc/97/70/05/558977005.db2.gz UMSYKACPDMPSLZ-UHFFFAOYSA-N 1 0 412.505 4.173 40 0 HIABRO CC(C)c1snnc1C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100426 559023993 /nfs/dbraw/zinc/02/39/93/559023993.db2.gz WEHXWTYUYBDXCC-JOCHJYFZSA-N 1 0 416.566 4.462 40 0 HIABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585099846 559024493 /nfs/dbraw/zinc/02/44/93/559024493.db2.gz HYYXEDBHLHNGTH-VWLOTQADSA-N 1 0 407.558 4.327 40 0 HIABRO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccccc3)CC2)nc2ccccn12 ZINC000585099963 559024545 /nfs/dbraw/zinc/02/45/45/559024545.db2.gz BJGIWFGGJXOPCC-VWLOTQADSA-N 1 0 402.542 4.190 40 0 HIABRO Cc1ccc(CC(=O)N2CCC3(C[N@H+](Cc4ccccc4)C[C@]34CCOC4)CC2)cc1 ZINC000585113430 559031231 /nfs/dbraw/zinc/03/12/31/559031231.db2.gz GCGDLXXIJQJBNH-MHZLTWQESA-N 1 0 418.581 4.069 40 0 HIABRO C[NH+](C)CCNC(=O)c1cnc(-c2noc3cc(-c4ccc(F)cc4)ccc32)s1 ZINC000096154661 559099155 /nfs/dbraw/zinc/09/91/55/559099155.db2.gz OOUVZOMMXYIXSW-UHFFFAOYSA-N 1 0 410.474 4.049 40 0 HIABRO O=S1(=O)c2ccccc2[C@]2(CC[N@H+](Cc3ccccc3)C2)N1Cc1ccc(F)cc1 ZINC000096261954 559106238 /nfs/dbraw/zinc/10/62/38/559106238.db2.gz IGDDEWAEVXYVHD-XMMPIXPASA-N 1 0 422.525 4.131 40 0 HIABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3ccccn3)CC1)nc2N1CCCC1 ZINC000096267166 559107961 /nfs/dbraw/zinc/10/79/61/559107961.db2.gz DHTCRULRNSCLFX-UHFFFAOYSA-N 1 0 404.562 4.387 40 0 HIABRO O[C@@]1(COc2ccc(F)c(F)c2)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585282631 559120172 /nfs/dbraw/zinc/12/01/72/559120172.db2.gz LVYOJHIVUAEVFS-YOSAUDMPSA-N 1 0 417.496 4.133 40 0 HIABRO OC1(COc2ccccc2F)CC[NH+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CC1 ZINC000585287648 559123161 /nfs/dbraw/zinc/12/31/61/559123161.db2.gz PYZJKNIYSABWCU-PEPAQOBHSA-N 1 0 413.533 4.120 40 0 HIABRO C[NH+](C)C/C=C/C(=O)N1CCC(c2cc3ccccc3c(Nc3nccs3)n2)CC1 ZINC000585293316 559125918 /nfs/dbraw/zinc/12/59/18/559125918.db2.gz ZNJBBLJDZQKTJE-VMPITWQZSA-N 1 0 421.570 4.259 40 0 HIABRO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216391 559169592 /nfs/dbraw/zinc/16/95/92/559169592.db2.gz JCRYJRPXXPADMB-QFIPXVFZSA-N 1 0 422.573 4.476 40 0 HIABRO Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc(C)c1Cl ZINC000111894595 559178159 /nfs/dbraw/zinc/17/81/59/559178159.db2.gz MPVGJZPDPPCGMX-QGZVFWFLSA-N 1 0 401.938 4.115 40 0 HIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@]1(C(=O)N(C)C)c1ccccn1 ZINC000257260145 559284718 /nfs/dbraw/zinc/28/47/18/559284718.db2.gz LBMDSXIEWQFLGI-AREMUKBSSA-N 1 0 415.537 4.337 40 0 HIABRO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257258616 559284761 /nfs/dbraw/zinc/28/47/61/559284761.db2.gz KUTQQYSJGMARPP-QHCPKHFHSA-N 1 0 401.510 4.108 40 0 HIABRO CCOc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000005002285 560620330 /nfs/dbraw/zinc/62/03/30/560620330.db2.gz NHOTZZYZVLJUIB-BQYQJAHWSA-O 1 0 403.502 4.406 40 0 HIABRO CCOCCOc1ccc(C[N@H+](C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000585269699 560741467 /nfs/dbraw/zinc/74/14/67/560741467.db2.gz IDCAOVQTFYRGAT-JOCHJYFZSA-N 1 0 410.558 4.166 40 0 HIABRO C[C@@H](NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000020241784 560883333 /nfs/dbraw/zinc/88/33/33/560883333.db2.gz AQQLZDLHKJXAFI-JOCHJYFZSA-N 1 0 413.565 4.495 40 0 HIABRO Cc1ccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)n2)cc1 ZINC000219235626 568488241 /nfs/dbraw/zinc/48/82/41/568488241.db2.gz JKRSCAHVTCOYRG-UHFFFAOYSA-N 1 0 404.514 4.207 40 0 HIABRO CCCC[C@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000057671205 568495122 /nfs/dbraw/zinc/49/51/22/568495122.db2.gz YYDVPFILMMKFQC-HXUWFJFHSA-N 1 0 414.941 4.021 40 0 HIABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1c2cc(C)cnc2[nH]c1C(C)C ZINC000057773804 568497266 /nfs/dbraw/zinc/49/72/66/568497266.db2.gz IAWCCBDOCIWOIM-SFHVURJKSA-N 1 0 411.546 4.265 40 0 HIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc2ccc(C)cc2nc1OC ZINC000022931848 568500808 /nfs/dbraw/zinc/50/08/08/568500808.db2.gz BMZOAGUNRSIFJS-HSZRJFAPSA-N 1 0 404.558 4.433 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223241558 568542347 /nfs/dbraw/zinc/54/23/47/568542347.db2.gz LZLYMVLMWRJDBM-VXKWHMMOSA-N 1 0 424.545 4.405 40 0 HIABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccco1 ZINC000223335005 568545591 /nfs/dbraw/zinc/54/55/91/568545591.db2.gz HFHLWXHBFRKOKS-SFTDATJTSA-N 1 0 401.495 4.033 40 0 HIABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccccc1 ZINC000223373867 568546832 /nfs/dbraw/zinc/54/68/32/568546832.db2.gz BRSGVWRBOVSGEM-DHIUTWEWSA-N 1 0 411.534 4.440 40 0 HIABRO O=C(NCCOc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223569395 568551952 /nfs/dbraw/zinc/55/19/52/568551952.db2.gz ULMCINQPSMPJOV-OAQYLSRUSA-N 1 0 406.501 4.386 40 0 HIABRO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000223626174 568553846 /nfs/dbraw/zinc/55/38/46/568553846.db2.gz MXZSPIAJHNCTAW-UHFFFAOYSA-N 1 0 406.501 4.386 40 0 HIABRO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000224094682 568569643 /nfs/dbraw/zinc/56/96/43/568569643.db2.gz FBXDIQUNYDNNNY-UHFFFAOYSA-N 1 0 400.950 4.364 40 0 HIABRO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000224534996 568583972 /nfs/dbraw/zinc/58/39/72/568583972.db2.gz DRTWKMOCPKRXIB-UHFFFAOYSA-N 1 0 400.950 4.310 40 0 HIABRO CCOC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440235 568637935 /nfs/dbraw/zinc/63/79/35/568637935.db2.gz BOMQYNZKLFDDLM-UHFFFAOYSA-N 1 0 415.537 4.357 40 0 HIABRO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)s2)cc1 ZINC000225578159 568653563 /nfs/dbraw/zinc/65/35/63/568653563.db2.gz RUDTXKPJXLZNCE-UHFFFAOYSA-N 1 0 422.554 4.373 40 0 HIABRO S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1cccc(Br)c1 ZINC000225742353 568670398 /nfs/dbraw/zinc/67/03/98/568670398.db2.gz YBWFFHMLJJCFOJ-UHFFFAOYSA-N 1 0 404.377 4.184 40 0 HIABRO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4ccccc4F)CC3)CC2)c1C ZINC000096625965 568722082 /nfs/dbraw/zinc/72/20/82/568722082.db2.gz PZOAQJODIABLSS-UHFFFAOYSA-N 1 0 409.549 4.003 40 0 HIABRO FC(F)(F)c1ccnc(Nc2nccc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000257201250 568776308 /nfs/dbraw/zinc/77/63/08/568776308.db2.gz AGWRALOILOVZJJ-OAHLLOKOSA-N 1 0 400.408 4.019 40 0 HIABRO C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000257222845 568782725 /nfs/dbraw/zinc/78/27/25/568782725.db2.gz DUWJRYCANXSYIO-SFHVURJKSA-N 1 0 420.582 4.068 40 0 HIABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4cncnc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257224345 568783379 /nfs/dbraw/zinc/78/33/79/568783379.db2.gz FBKSRYDBDGNZRC-RBBKRZOGSA-N 1 0 409.530 4.016 40 0 HIABRO 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 568783474 /nfs/dbraw/zinc/78/34/74/568783474.db2.gz FFDBFNLDXLZNEN-HRZCLMFYSA-N 1 0 423.626 4.387 40 0 HIABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257234419 568785941 /nfs/dbraw/zinc/78/59/41/568785941.db2.gz GTKWGHQBOTVXMA-QFIPXVFZSA-N 1 0 420.601 4.383 40 0 HIABRO CN(C)C(=O)c1sc2nccnc2c1C1CCN(Cc2cc(F)ccc2F)CC1 ZINC000257281105 568798663 /nfs/dbraw/zinc/79/86/63/568798663.db2.gz ONQFUJXGDOXAHM-UHFFFAOYSA-N 1 0 416.497 4.051 40 0 HIABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4ccnc(C)n4)CC3)CO[C@H]21 ZINC000257285322 568799962 /nfs/dbraw/zinc/79/99/62/568799962.db2.gz PGPYQSXGZVXBKX-RBBKRZOGSA-N 1 0 423.557 4.325 40 0 HIABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4c[nH]nc4C)CC3)CO[C@H]21 ZINC000257289493 568801252 /nfs/dbraw/zinc/80/12/52/568801252.db2.gz PYWWXHSJBFDBNH-PZJWPPBQSA-N 1 0 411.546 4.258 40 0 HIABRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000257307578 568806785 /nfs/dbraw/zinc/80/67/85/568806785.db2.gz SZHMGVQJAJELOO-HSZRJFAPSA-N 1 0 413.525 4.112 40 0 HIABRO COc1ncccc1C[N@@H+]1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306126632 568889558 /nfs/dbraw/zinc/88/95/58/568889558.db2.gz FAQJUTZYFUFENU-IBGZPJMESA-N 1 0 417.488 4.319 40 0 HIABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](Cc4ccccn4)C3)nn2c1 ZINC000306130274 568892775 /nfs/dbraw/zinc/89/27/75/568892775.db2.gz JAVCXFYJWLUHPO-SFHVURJKSA-N 1 0 417.488 4.319 40 0 HIABRO O=C(Nc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)Nc3ccccc3)CC[C@@H]2[N@@H+]1CC1CC1 ZINC000306139406 568901344 /nfs/dbraw/zinc/90/13/44/568901344.db2.gz SWNIJFMKEYVFFV-VJBMBRPKSA-N 1 0 418.541 4.032 40 0 HIABRO O=C(c1cnc2c(F)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198958 569058914 /nfs/dbraw/zinc/05/89/14/569058914.db2.gz NMMRQOVLVLCJGO-HFTZPDGKSA-N 1 0 421.516 4.115 40 0 HIABRO O=C(c1cnc2c(F)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198959 569058941 /nfs/dbraw/zinc/05/89/41/569058941.db2.gz NMMRQOVLVLCJGO-XQLZULMXSA-N 1 0 421.516 4.115 40 0 HIABRO O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062848 569342281 /nfs/dbraw/zinc/34/22/81/569342281.db2.gz SSRAQUKWHIUFOT-UHFFFAOYSA-N 1 0 405.542 4.163 40 0 HIABRO C[C@@H](C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000019456127 569345556 /nfs/dbraw/zinc/34/55/56/569345556.db2.gz CEINOHUHQWQGIA-PZJWPPBQSA-N 1 0 416.573 4.450 40 0 HIABRO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)CC2CCCCC2)n1 ZINC000019701017 569347235 /nfs/dbraw/zinc/34/72/35/569347235.db2.gz IIUXBJTVSOTFPS-NRFANRHFSA-N 1 0 421.589 4.047 40 0 HIABRO Cc1nc([C@@]2(O)CCC[N@H+](CC3CC3)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019738681 569348570 /nfs/dbraw/zinc/34/85/70/569348570.db2.gz OKQSPKXTRDROSX-JOCHJYFZSA-N 1 0 422.541 4.435 40 0 HIABRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000036773785 569351680 /nfs/dbraw/zinc/35/16/80/569351680.db2.gz AOTQHLOERXZKOW-AWEZNQCLSA-N 1 0 408.329 4.151 40 0 HIABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328960417 571306489 /nfs/dbraw/zinc/30/64/89/571306489.db2.gz AXNWYJSVRKEZCW-UHFFFAOYSA-N 1 0 409.331 4.722 40 0 HIABRO CC1=C[C@@H](C[N@H+](C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883440 291262168 /nfs/dbraw/zinc/26/21/68/291262168.db2.gz GTRKTYQMKVSSCI-BJLQDIEVSA-N 1 0 401.526 4.197 40 0 biogenic,in-vitro HIABRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(C3CCCC3)nn2C)cc1 ZINC000035415804 291266636 /nfs/dbraw/zinc/26/66/36/291266636.db2.gz XXHUOKLKDJJYGJ-XJUOHMSHSA-N 1 0 408.590 4.054 40 0 biogenic,in-vitro HIABRO O=c1ccc(-c2cc3ccccc3s2)c2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000004258715 291270670 /nfs/dbraw/zinc/27/06/70/291270670.db2.gz JDCKRFHJFYNZGJ-FUHWJXTLSA-N 1 0 406.551 4.328 40 0 biogenic,in-vitro HIABRO COCCc1ncc(CN2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)cn1 ZINC000072372701 522035498 /nfs/dbraw/zinc/03/54/98/522035498.db2.gz VJXKQBXGBXTNRN-HXUWFJFHSA-N 1 0 424.574 4.215 40 0 HIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)c(OC)c1 ZINC000044856820 522668727 /nfs/dbraw/zinc/66/87/27/522668727.db2.gz SBGQNCDUUVDTPR-JOCHJYFZSA-N 1 0 410.558 4.492 40 0 HIABRO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000044852870 525434556 /nfs/dbraw/zinc/43/45/56/525434556.db2.gz GDZBMPZIGUHDLF-SFHVURJKSA-N 1 0 400.950 4.444 40 0 HIABRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872267 527190888 /nfs/dbraw/zinc/19/08/88/527190888.db2.gz ASUVCQBCFBYXEV-UHFFFAOYSA-N 1 0 413.370 4.209 40 0 HIABRO Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000044932541 527385468 /nfs/dbraw/zinc/38/54/68/527385468.db2.gz FDKNEXMOKPTBAJ-LJQANCHMSA-N 1 0 402.542 4.343 40 0 HIABRO Cc1ccccc1OCc1nnc(SCC[NH+]2CCCCC2)n1Cc1ccco1 ZINC000035313739 557689426 /nfs/dbraw/zinc/68/94/26/557689426.db2.gz XKZOFHWYLWMOCM-UHFFFAOYSA-N 1 0 412.559 4.385 40 0 HIABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000006382286 557700776 /nfs/dbraw/zinc/70/07/76/557700776.db2.gz INZLNYGKJMHHTK-SANMLTNESA-N 1 0 403.522 4.475 40 0 HIABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)NCc3ccccc3)cc12 ZINC000008772703 557806751 /nfs/dbraw/zinc/80/67/51/557806751.db2.gz OOBJNYVCCUSPJH-UHFFFAOYSA-N 1 0 420.557 4.221 40 0 HIABRO Nc1ncnc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743012 558263300 /nfs/dbraw/zinc/26/33/00/558263300.db2.gz GOILXKRMXSFIHB-CYBMUJFWSA-N 1 0 405.399 4.145 40 0 HIABRO COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCC[N@@H+](C4CCCC4)C2)nc3C)cc1 ZINC000019744489 558264937 /nfs/dbraw/zinc/26/49/37/558264937.db2.gz GBGOMOLKFHERBX-IBGZPJMESA-N 1 0 420.557 4.005 40 0 HIABRO COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]2CCCO2)cc1OC ZINC000012116789 558328782 /nfs/dbraw/zinc/32/87/82/558328782.db2.gz NVDAFFYXVFSCKY-GOSISDBHSA-N 1 0 413.543 4.337 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]2CCCO2)c(OC)c1OC ZINC000012118230 558329569 /nfs/dbraw/zinc/32/95/69/558329569.db2.gz NWJBCWGXDAOGMP-NRFANRHFSA-N 1 0 422.525 4.442 40 0 HIABRO COc1ccc([C@H](O)C[NH+]2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)c(OC)c1 ZINC000012188041 558347100 /nfs/dbraw/zinc/34/71/00/558347100.db2.gz RCBAOEAMUBQNLF-HXUWFJFHSA-N 1 0 415.917 4.331 40 0 HIABRO CCOc1cc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)ccc1OC ZINC000012275510 558363935 /nfs/dbraw/zinc/36/39/35/558363935.db2.gz NBHCCEBOLBEJAI-UHFFFAOYSA-N 1 0 420.513 4.031 40 0 HIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc(F)cc1 ZINC000012293771 558367449 /nfs/dbraw/zinc/36/74/49/558367449.db2.gz VRURWJBJLQCDKA-XZOQPEGZSA-N 1 0 407.485 4.363 40 0 HIABRO Cc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1cc(C)ccc1O2 ZINC000012329721 558384521 /nfs/dbraw/zinc/38/45/21/558384521.db2.gz QYCHIZVIFHVINK-XZOQPEGZSA-N 1 0 406.526 4.169 40 0 HIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000012329965 558384851 /nfs/dbraw/zinc/38/48/51/558384851.db2.gz ZIYXCMVAUUECTJ-SFTDATJTSA-N 1 0 417.933 4.041 40 0 HIABRO CC[C@@H](NCCC[NH+](C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 ZINC000026522291 558662099 /nfs/dbraw/zinc/66/20/99/558662099.db2.gz VQTVKAGNCMNFBX-HXUWFJFHSA-N 1 0 412.965 4.091 40 0 HIABRO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039772920 558686264 /nfs/dbraw/zinc/68/62/64/558686264.db2.gz DRAGBUNNBHGPLD-QGZVFWFLSA-N 1 0 416.949 4.144 40 0 HIABRO O=C(NCCSCc1ccccc1F)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039757385 558688549 /nfs/dbraw/zinc/68/85/49/558688549.db2.gz MVOBVTOWKBGEOR-UHFFFAOYSA-N 1 0 404.526 4.226 40 0 HIABRO S=C(Nc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035883142 558795603 /nfs/dbraw/zinc/79/56/03/558795603.db2.gz KLOZPBAJHPVGHH-ODULNIPZSA-N 1 0 411.571 4.007 40 0 HIABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](NC(=O)C2CCC2)c2ccccn2)cc1 ZINC000036734714 558801227 /nfs/dbraw/zinc/80/12/27/558801227.db2.gz ASQMJPZVYKDROF-QPPBQGQZSA-N 1 0 407.558 4.492 40 0 HIABRO CC[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)c3cccc4c3C(=O)N(C)C4)cc2)[C@H](C)C1 ZINC000036734969 558801436 /nfs/dbraw/zinc/80/14/36/558801436.db2.gz HSFUCFDYZBHSEG-UYAOXDASSA-N 1 0 419.569 4.435 40 0 HIABRO Cc1ccc(CSCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038837241 558818159 /nfs/dbraw/zinc/81/81/59/558818159.db2.gz BJQUHVVGLCOPLU-NRFANRHFSA-N 1 0 400.563 4.396 40 0 HIABRO CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038854321 558819217 /nfs/dbraw/zinc/81/92/17/558819217.db2.gz BVNLHAIHWPPMRI-SFHVURJKSA-N 1 0 413.949 4.329 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(F)c1 ZINC000019081885 558839981 /nfs/dbraw/zinc/83/99/81/558839981.db2.gz XLJLBMJSIJCIHN-PGRDOPGGSA-N 1 0 413.537 4.345 40 0 HIABRO COc1ccccc1C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1 ZINC000019082102 558840031 /nfs/dbraw/zinc/84/00/31/558840031.db2.gz KIJYBZUVSISRSH-IBGZPJMESA-N 1 0 401.576 4.267 40 0 HIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019081930 558840036 /nfs/dbraw/zinc/84/00/36/558840036.db2.gz GLEYODWIWYUORN-DYESRHJHSA-N 1 0 401.501 4.475 40 0 HIABRO Cc1cc(-c2snnc2[C@@H]2CCCN(CC(C)(C)C[NH+]3CCC(C)CC3)C2)on1 ZINC000019120722 558843036 /nfs/dbraw/zinc/84/30/36/558843036.db2.gz JKIUFHSPEZEYNR-GOSISDBHSA-N 1 0 417.623 4.439 40 0 HIABRO Cc1nc(C[C@H]([NH2+]Cc2ccccc2N2CCCC2)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285353 558859713 /nfs/dbraw/zinc/85/97/13/558859713.db2.gz MJHXYEMSMJGZIF-QFIPXVFZSA-N 1 0 422.960 4.406 40 0 HIABRO O=C1N[C@]2(COC3(C2)CC[NH+](CC2CCCCC2)CC3)Nc2ccc(Cl)cc21 ZINC000019345869 558873335 /nfs/dbraw/zinc/87/33/35/558873335.db2.gz ORVDXCBBHCPGPW-JOCHJYFZSA-N 1 0 403.954 4.027 40 0 HIABRO CC1(C)CC(N(Cc2ccncc2)Cc2cnc(N3CCCCC3)nc2)CC(C)(C)[NH2+]1 ZINC000057810698 558890695 /nfs/dbraw/zinc/89/06/95/558890695.db2.gz NDZRVHNTNHLPHJ-UHFFFAOYSA-N 1 0 422.621 4.173 40 0 HIABRO COc1ccc(C[N@@H+](Cc2ccccc2-n2cccn2)C[C@H]2CCCO2)cc1OC ZINC000057811231 558890978 /nfs/dbraw/zinc/89/09/78/558890978.db2.gz LJUSWBIIJGNZAM-OAQYLSRUSA-N 1 0 407.514 4.071 40 0 HIABRO CC(C)n1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c2ccc(F)cc21 ZINC000019454766 558891519 /nfs/dbraw/zinc/89/15/19/558891519.db2.gz CSAZVYSBWLYTLG-QRQCMCJISA-N 1 0 410.537 4.215 40 0 HIABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)no2)CC1 ZINC000019496766 558895753 /nfs/dbraw/zinc/89/57/53/558895753.db2.gz RVUXDTQWNKYWAK-HXUWFJFHSA-N 1 0 418.541 4.475 40 0 HIABRO CCCN1CC[N@H+](Cc2ccncc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503066 558900397 /nfs/dbraw/zinc/90/03/97/558900397.db2.gz MYXSATJREONUKW-VWLOTQADSA-N 1 0 414.553 4.057 40 0 HIABRO CCCN1CC[N@H+](Cc2cccnc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503279 558900497 /nfs/dbraw/zinc/90/04/97/558900497.db2.gz ZRQIYBFMLMDYEE-DEOSSOPVSA-N 1 0 414.553 4.057 40 0 HIABRO CCn1cc(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2ccc(F)cc21 ZINC000019524736 558906034 /nfs/dbraw/zinc/90/60/34/558906034.db2.gz PPXVVBXBNVWWFJ-SQJMNOBHSA-N 1 0 420.532 4.224 40 0 HIABRO CCSc1ncc(CN2Cc3cc(C)ccc3OC3(CC[NH+](CC)CC3)C2)cn1 ZINC000019527065 558908104 /nfs/dbraw/zinc/90/81/04/558908104.db2.gz KFCPYBWHUBSSMK-UHFFFAOYSA-N 1 0 412.603 4.146 40 0 HIABRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1ccc(OCCO)cc1)CC2 ZINC000019550691 558915206 /nfs/dbraw/zinc/91/52/06/558915206.db2.gz NDDLWNJPGNWCAB-AREMUKBSSA-N 1 0 419.521 4.223 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)Nc4ccccc4OC)on3)C2)cc1 ZINC000019555183 558918184 /nfs/dbraw/zinc/91/81/84/558918184.db2.gz FAKFWUYJRUDOOT-GOSISDBHSA-N 1 0 421.497 4.324 40 0 HIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c(C)c1C ZINC000019577363 558933235 /nfs/dbraw/zinc/93/32/35/558933235.db2.gz MLPWOQZMYHRBSS-INIZCTEOSA-N 1 0 401.461 4.067 40 0 HIABRO COc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c(C)c1C ZINC000019577323 558933258 /nfs/dbraw/zinc/93/32/58/558933258.db2.gz VZJSUIPROVERDE-UHFFFAOYSA-N 1 0 404.514 4.249 40 0 HIABRO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019579623 558935332 /nfs/dbraw/zinc/93/53/32/558935332.db2.gz RSAUUVUCMOBFRS-AREMUKBSSA-N 1 0 414.553 4.057 40 0 HIABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000072337780 558937951 /nfs/dbraw/zinc/93/79/51/558937951.db2.gz URKBOLXWLCKLDB-XLIONFOSSA-N 1 0 410.518 4.061 40 0 HIABRO O=c1[nH]cc(-c2ccc(Cl)cc2)cc1C[N@@H+](Cc1cccnc1)C[C@H]1CCCO1 ZINC000072341730 558940032 /nfs/dbraw/zinc/94/00/32/558940032.db2.gz COYPGYCTXODFFN-JOCHJYFZSA-N 1 0 409.917 4.272 40 0 HIABRO CN(C)c1nc2ccccc2cc1C[NH+]1CCC(n2c3ccccc3oc2=O)CC1 ZINC000072347900 558945258 /nfs/dbraw/zinc/94/52/58/558945258.db2.gz YJRUZIYYSORCOU-UHFFFAOYSA-N 1 0 402.498 4.046 40 0 HIABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)n1 ZINC000072348872 558945446 /nfs/dbraw/zinc/94/54/46/558945446.db2.gz IINRZIOSUNRVHM-LJQANCHMSA-N 1 0 407.558 4.386 40 0 HIABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 ZINC000072350404 558947406 /nfs/dbraw/zinc/94/74/06/558947406.db2.gz GQPBYRHSEBOBNS-FQEVSTJZSA-N 1 0 411.977 4.374 40 0 HIABRO O=C(CCc1ccc(F)cc1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355236 558952650 /nfs/dbraw/zinc/95/26/50/558952650.db2.gz CQSYNEQLUDBZBW-NRFANRHFSA-N 1 0 409.549 4.099 40 0 HIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3CC(=O)NC3CCCCC3)c2)n1 ZINC000072372493 558959921 /nfs/dbraw/zinc/95/99/21/558959921.db2.gz NVVFGWBKAWRVTQ-JOCHJYFZSA-N 1 0 422.577 4.126 40 0 HIABRO CCOc1ccc(C[NH+]2CCC(c3cc(-c4cnn(C)c4)cc(C)n3)CC2)cc1CO ZINC000019692135 558961884 /nfs/dbraw/zinc/96/18/84/558961884.db2.gz FTBRCNWATBKWEV-UHFFFAOYSA-N 1 0 420.557 4.061 40 0 HIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)CC1 ZINC000072375875 558964799 /nfs/dbraw/zinc/96/47/99/558964799.db2.gz BBKGQHFXGBNFQJ-OAQYLSRUSA-N 1 0 407.562 4.314 40 0 HIABRO CN(C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1)C1CCCCC1 ZINC000072375952 558965004 /nfs/dbraw/zinc/96/50/04/558965004.db2.gz VJIOAUNGGXGSAQ-LJQANCHMSA-N 1 0 407.562 4.191 40 0 HIABRO CN(C(=O)C[N@@H+]1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1)C1CCCCC1 ZINC000072375951 558965012 /nfs/dbraw/zinc/96/50/12/558965012.db2.gz VJIOAUNGGXGSAQ-IBGZPJMESA-N 1 0 407.562 4.191 40 0 HIABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1C ZINC000072376623 558965851 /nfs/dbraw/zinc/96/58/51/558965851.db2.gz AOUVHOUOAYBQNM-JOCHJYFZSA-N 1 0 420.561 4.080 40 0 HIABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 ZINC000072376671 558966101 /nfs/dbraw/zinc/96/61/01/558966101.db2.gz UUNSMEWXYNJUNT-IBGZPJMESA-N 1 0 402.546 4.026 40 0 HIABRO CCOc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccncc4)n3)CC2)cc1OC ZINC000072392706 558972469 /nfs/dbraw/zinc/97/24/69/558972469.db2.gz XFJPRZRFUAHAMD-UHFFFAOYSA-N 1 0 420.513 4.031 40 0 HIABRO Cc1noc(C)c1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393384 558972726 /nfs/dbraw/zinc/97/27/26/558972726.db2.gz OQOFIZKDZLNKMU-UHFFFAOYSA-N 1 0 401.938 4.261 40 0 HIABRO C[C@@H](CC[NH+]1CCCCCC1)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc21 ZINC000019717652 558980555 /nfs/dbraw/zinc/98/05/55/558980555.db2.gz AWSXKQROGIDMSR-SFHVURJKSA-N 1 0 405.546 4.020 40 0 HIABRO Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[NH+]3CCCCCC3)CC2)n1 ZINC000257273622 558997130 /nfs/dbraw/zinc/99/71/30/558997130.db2.gz NHLMPFWQARAFGX-AQYVVDRMSA-N 1 0 421.589 4.113 40 0 HIABRO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](Cc2cc(F)ccc2F)CC3)cs1 ZINC000585100066 559023738 /nfs/dbraw/zinc/02/37/38/559023738.db2.gz DTYOAQCGYGXTDT-NRFANRHFSA-N 1 0 405.514 4.277 40 0 HIABRO CC(C)COC(=O)NC1CC2(C1)CC[NH+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC000585102733 559026266 /nfs/dbraw/zinc/02/62/66/559026266.db2.gz CCEFLPPCZNBWRR-UHFFFAOYSA-N 1 0 410.505 4.457 40 0 HIABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000585165364 559066385 /nfs/dbraw/zinc/06/63/85/559066385.db2.gz IFXMMDTXWUIWGZ-NRFANRHFSA-N 1 0 418.541 4.070 40 0 HIABRO CCCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCC[NH2+]4)CC3)n2)s1 ZINC000585262625 559111258 /nfs/dbraw/zinc/11/12/58/559111258.db2.gz KHVDIDASUHZFST-IBGZPJMESA-N 1 0 413.591 4.082 40 0 HIABRO CCCc1ncc(C[NH+]2CCC(Cc3nccc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585263669 559112138 /nfs/dbraw/zinc/11/21/38/559112138.db2.gz ZKRWSAQUPNUQSO-UHFFFAOYSA-N 1 0 423.590 4.182 40 0 HIABRO Cc1cc(OC[C@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)ccc1Cl ZINC000585293534 559126048 /nfs/dbraw/zinc/12/60/48/559126048.db2.gz ZAOUIVGRPRDQSU-QGZVFWFLSA-N 1 0 400.906 4.049 40 0 HIABRO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113971093 559185235 /nfs/dbraw/zinc/18/52/35/559185235.db2.gz MAZHKQBKUYBFKO-OAQYLSRUSA-N 1 0 401.938 4.196 40 0 HIABRO COC(=O)c1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc1 ZINC000072360799 559185888 /nfs/dbraw/zinc/18/58/88/559185888.db2.gz PEJAJCVSHXNNGR-JOCHJYFZSA-N 1 0 419.525 4.260 40 0 HIABRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257216948 559282715 /nfs/dbraw/zinc/28/27/15/559282715.db2.gz CWUPIGSVGLWUMX-NRFANRHFSA-N 1 0 424.560 4.290 40 0 HIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@]1(C(=O)N(C)C)c1ccccn1 ZINC000257260146 559284722 /nfs/dbraw/zinc/28/47/22/559284722.db2.gz LBMDSXIEWQFLGI-SANMLTNESA-N 1 0 415.537 4.337 40 0 HIABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)c(C)c1 ZINC000257278817 559285150 /nfs/dbraw/zinc/28/51/50/559285150.db2.gz ODTYTOSCYMLFIT-QHCPKHFHSA-N 1 0 406.526 4.149 40 0 HIABRO CC1=C[C@@H](C[NH2+][C@H]2CC[C@H](CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000247831616 560036740 /nfs/dbraw/zinc/03/67/40/560036740.db2.gz LRXHHWFZZNOXNK-YFNVTMOMSA-N 1 0 410.606 4.496 40 0 biogenic,in-vitro HIABRO Cc1ccc(CNC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000408825421 560645685 /nfs/dbraw/zinc/64/56/85/560645685.db2.gz AJZXFVBPZQKDEP-UHFFFAOYSA-N 1 0 413.565 4.243 40 0 HIABRO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408994407 560663172 /nfs/dbraw/zinc/66/31/72/560663172.db2.gz ZMKPREXCMUABJB-NRFANRHFSA-N 1 0 423.538 4.204 40 0 HIABRO O=C(c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1)N1CCc2ccccc2C1 ZINC000409184991 560688930 /nfs/dbraw/zinc/68/89/30/560688930.db2.gz JBCSMVCAJCQPEL-UHFFFAOYSA-N 1 0 411.549 4.207 40 0 HIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(OC)c(OC)c3)o2)cc1 ZINC000007519998 560751436 /nfs/dbraw/zinc/75/14/36/560751436.db2.gz MKEOJELKHUTDDK-UHFFFAOYSA-N 1 0 409.482 4.473 40 0 HIABRO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000054435414 560897911 /nfs/dbraw/zinc/89/79/11/560897911.db2.gz RGOFKGUKHYLOEI-UHFFFAOYSA-N 1 0 416.569 4.115 40 0 HIABRO Cc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)n2)c1 ZINC000219411844 568491564 /nfs/dbraw/zinc/49/15/64/568491564.db2.gz OLWJQSJPAVJGEV-UHFFFAOYSA-N 1 0 424.932 4.227 40 0 HIABRO CC(C)(C)OC(=O)N1CCC(=O)[C@H]2[C@H](C1)[N@H+](Cc1ccccc1)C[C@@H]2c1ccccc1 ZINC000219773927 568498496 /nfs/dbraw/zinc/49/84/96/568498496.db2.gz XWUGYUJYBGMVFQ-AOHZBQACSA-N 1 0 420.553 4.481 40 0 HIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223248055 568542581 /nfs/dbraw/zinc/54/25/81/568542581.db2.gz JDZQPULCOKSYGE-YADHBBJMSA-N 1 0 411.619 4.313 40 0 HIABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1Cc1ccccc1 ZINC000223373976 568546778 /nfs/dbraw/zinc/54/67/78/568546778.db2.gz BRSGVWRBOVSGEM-PKTZIBPZSA-N 1 0 411.534 4.440 40 0 HIABRO Cc1ccc(C)c(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000224040257 568567395 /nfs/dbraw/zinc/56/73/95/568567395.db2.gz UGBCFPFRSXMMEN-HXUWFJFHSA-N 1 0 400.950 4.364 40 0 HIABRO Cc1ccc(C)c(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000224040306 568567418 /nfs/dbraw/zinc/56/74/18/568567418.db2.gz UGBCFPFRSXMMEN-FQEVSTJZSA-N 1 0 400.950 4.364 40 0 HIABRO Cn1c(=O)sc2cc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000225064858 568611989 /nfs/dbraw/zinc/61/19/89/568611989.db2.gz BVPVXVGMCBREIN-HNNXBMFYSA-N 1 0 415.946 4.104 40 0 HIABRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000260767258 568738243 /nfs/dbraw/zinc/73/82/43/568738243.db2.gz MMAMOSUIQYKCSS-AEFFLSMTSA-N 1 0 416.949 4.447 40 0 HIABRO COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)C[NH+]2CCCCCC2)o1 ZINC000257214178 568780122 /nfs/dbraw/zinc/78/01/22/568780122.db2.gz CKXDOWBIDJDDFA-OAQYLSRUSA-N 1 0 411.546 4.204 40 0 HIABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)c1 ZINC000257220843 568782294 /nfs/dbraw/zinc/78/22/94/568782294.db2.gz DMJZSCUVCWAWRF-SFHVURJKSA-N 1 0 417.513 4.260 40 0 HIABRO Cc1cccnc1Nc1cccc(C2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000257224995 568783314 /nfs/dbraw/zinc/78/33/14/568783314.db2.gz FEKCBSSSDXGHDE-IBGZPJMESA-N 1 0 407.562 4.109 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257249950 568790309 /nfs/dbraw/zinc/79/03/09/568790309.db2.gz JKJOJBCUBJMFOQ-HSZRJFAPSA-N 1 0 420.601 4.336 40 0 HIABRO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](C3CCOCC3)[C@H]1CCCCC(=O)N2 ZINC000257255929 568791852 /nfs/dbraw/zinc/79/18/52/568791852.db2.gz KJLIGNSRLCKUSK-ZJOUEHCJSA-N 1 0 410.480 4.449 40 0 HIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257267544 568794944 /nfs/dbraw/zinc/79/49/44/568794944.db2.gz MHSJAUXIDAGDGV-QFIPXVFZSA-N 1 0 406.574 4.028 40 0 HIABRO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257295087 568802850 /nfs/dbraw/zinc/80/28/50/568802850.db2.gz QWYCPJQXAWDYGZ-QGZVFWFLSA-N 1 0 420.554 4.039 40 0 HIABRO 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 568806957 /nfs/dbraw/zinc/80/69/57/568806957.db2.gz TWHYTNRLHZOIHQ-TYUWDEHNSA-N 1 0 420.601 4.451 40 0 HIABRO Cc1cc(Nc2ccccn2)cc(C2CCN(CC(=O)NC3CCCCC3)CC2)[nH+]1 ZINC000257307722 568806999 /nfs/dbraw/zinc/80/69/99/568806999.db2.gz SZYUXYVBXLGJEU-UHFFFAOYSA-N 1 0 407.562 4.157 40 0 HIABRO CCn1cc(CN2CCO[C@H](c3cc(Cc4cccc(OC)c4)cc(C)n3)C2)c(C)n1 ZINC000257312162 568807907 /nfs/dbraw/zinc/80/79/07/568807907.db2.gz UMSSXYWJXDLRDR-VWLOTQADSA-N 1 0 420.557 4.088 40 0 HIABRO Cc1ccc(OCC(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)cc1 ZINC000257313612 568808378 /nfs/dbraw/zinc/80/83/78/568808378.db2.gz UTIPUZWUAKIQSW-LSHRBJLDSA-N 1 0 404.554 4.117 40 0 HIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)COc3ccccc3F)C2)[nH+]1 ZINC000257318877 568810010 /nfs/dbraw/zinc/81/00/10/568810010.db2.gz VPTXPEYLCBJUPE-INIZCTEOSA-N 1 0 424.451 4.202 40 0 HIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)COc3ccccc3F)C2)[nH+]1 ZINC000257318878 568810025 /nfs/dbraw/zinc/81/00/25/568810025.db2.gz VPTXPEYLCBJUPE-MRXNPFEDSA-N 1 0 424.451 4.202 40 0 HIABRO Fc1ccc(C[NH+]2CCC(c3nnc4ncc(-c5ccccc5F)cn43)CC2)cc1 ZINC000306126979 568889762 /nfs/dbraw/zinc/88/97/62/568889762.db2.gz FKUUHRQORZLCQX-UHFFFAOYSA-N 1 0 405.452 4.449 40 0 HIABRO Cc1ccsc1C[N@H+]1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306144787 568906211 /nfs/dbraw/zinc/90/62/11/568906211.db2.gz ZOKVUXPNVHPKFQ-XXBNENTESA-N 1 0 412.603 4.062 40 0 HIABRO Cc1sc(-n2cccc2)nc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198666 569058975 /nfs/dbraw/zinc/05/89/75/569058975.db2.gz FRKDBYDVVFSDHF-CUXKYVRBSA-N 1 0 422.598 4.277 40 0 HIABRO O=C(c1cnc2c(F)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198957 569058997 /nfs/dbraw/zinc/05/89/97/569058997.db2.gz NMMRQOVLVLCJGO-FOHILQBSSA-N 1 0 421.516 4.115 40 0 HIABRO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000229959737 569287217 /nfs/dbraw/zinc/28/72/17/569287217.db2.gz PRFWJKBNPGNZOH-NRTAZHGZSA-N 1 0 421.025 4.050 40 0 HIABRO O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010357290 569344076 /nfs/dbraw/zinc/34/40/76/569344076.db2.gz GLLXOISSTXZMPF-UHFFFAOYSA-N 1 0 413.521 4.465 40 0 HIABRO CC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2c(C)n(C)c3cc(C)ccc32)C1 ZINC000012088838 569344525 /nfs/dbraw/zinc/34/45/25/569344525.db2.gz QBZGFEZFIAQUHO-PGRDOPGGSA-N 1 0 410.587 4.341 40 0 HIABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)n1 ZINC000019236210 569345352 /nfs/dbraw/zinc/34/53/52/569345352.db2.gz KMNUVGFFIYVUJY-PGRDOPGGSA-N 1 0 406.555 4.230 40 0 HIABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000019348969 569345383 /nfs/dbraw/zinc/34/53/83/569345383.db2.gz DBAKZBZRXBMCFF-YLJYHZDGSA-N 1 0 410.518 4.061 40 0 HIABRO O=C(c1sc2ncccc2c1[C@@H]1CC[N@H+](CC2CCCCC2)C1)N1CCOCC1 ZINC000019702285 569347439 /nfs/dbraw/zinc/34/74/39/569347439.db2.gz UQWQIYRLMQSTPT-GOSISDBHSA-N 1 0 413.587 4.138 40 0 HIABRO CCc1ncc(C[N@@H+]2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccccc2C)cn1 ZINC000019713398 569348405 /nfs/dbraw/zinc/34/84/05/569348405.db2.gz KGDNJAQKHCTWBP-RCZVLFRGSA-N 1 0 406.574 4.283 40 0 HIABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038855532 569351830 /nfs/dbraw/zinc/35/18/30/569351830.db2.gz ZSCCURZRPZVYGS-MJGOQNOKSA-N 1 0 411.521 4.205 40 0 HIABRO CC(C)c1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329018376 571306372 /nfs/dbraw/zinc/30/63/72/571306372.db2.gz NRAMYUJFNVCVHE-SFHVURJKSA-N 1 0 402.542 4.828 40 0 HIABRO Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328997931 571306494 /nfs/dbraw/zinc/30/64/94/571306494.db2.gz JQNGJUUCSJUKNN-UHFFFAOYSA-N 1 0 414.431 4.858 40 0 HIABRO