smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)CC1 ZINC000049155471 291231810 /nfs/dbraw/zinc/23/18/10/291231810.db2.gz SGXDSVWJUWADPH-NRFANRHFSA-N 1 1 418.501 3.341 40 0 biogenic,in-vitro HGABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)CCc3ccccc3)CC2)cs1 ZINC000225464336 291234074 /nfs/dbraw/zinc/23/40/74/291234074.db2.gz BVLFDQPQZZTDTN-UHFFFAOYSA-N 1 1 401.576 3.428 40 0 biogenic,in-vitro HGABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)c4ccc(F)cc4)CCN3C(C)(C)C2)cc1 ZINC000253405363 291240194 /nfs/dbraw/zinc/24/01/94/291240194.db2.gz SEMKPEXIAGRAKY-OAQYLSRUSA-N 1 1 411.521 3.255 40 0 biogenic,in-vitro HGABMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000009012096 557819114 /nfs/dbraw/zinc/81/91/14/557819114.db2.gz MKPIBSLBSTYPPT-OYSWMMLKSA-N 1 1 423.472 3.271 40 0 HGABMO CC(C)NC(=O)Cn1cc(C[N@H+]2CCC[C@H](CN3CCCC3=O)C2)c2ccccc21 ZINC000012220232 558355269 /nfs/dbraw/zinc/35/52/69/558355269.db2.gz CRTANKIWCGUTCS-IBGZPJMESA-N 1 1 410.562 3.000 40 0 HGABMO CCOc1cc(-c2nc3n(c2NCc2ccc4c(c2)OCO4)CC[NH2+]C3)ccc1O ZINC000012221252 558355979 /nfs/dbraw/zinc/35/59/79/558355979.db2.gz DJLYVEGJBMQEPG-UHFFFAOYSA-N 1 1 408.458 3.098 40 0 HGABMO COC(=O)c1ccc(C[N@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000012667142 558445401 /nfs/dbraw/zinc/44/54/01/558445401.db2.gz BCAZQRBILROASC-UHFFFAOYSA-N 1 1 418.453 3.348 40 0 HGABMO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)C[N@@H+](Cc1ccc2c(c1)CCO2)CC3 ZINC000012667245 558445427 /nfs/dbraw/zinc/44/54/27/558445427.db2.gz RBCGEOFCWNQKJD-UHFFFAOYSA-N 1 1 402.454 3.497 40 0 HGABMO C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)[C@H](C)CN1C[C@@H]1COc2ccccc2O1 ZINC000022873755 558518409 /nfs/dbraw/zinc/51/84/09/558518409.db2.gz GVENRJUFJRVVJY-UAFMIMERSA-N 1 1 410.514 3.061 40 0 HGABMO C[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)[C@H](C)CN1C[C@@H]1COc2ccccc2O1 ZINC000022873755 558518412 /nfs/dbraw/zinc/51/84/12/558518412.db2.gz GVENRJUFJRVVJY-UAFMIMERSA-N 1 1 410.514 3.061 40 0 HGABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2Cl)cc1C ZINC000013646181 558556738 /nfs/dbraw/zinc/55/67/38/558556738.db2.gz JESYWMBBAHTRDJ-UHFFFAOYSA-N 1 1 409.939 3.049 40 0 HGABMO C/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H]([NH3+])[C@H]2SC1 ZINC000026892939 558666464 /nfs/dbraw/zinc/66/64/64/558666464.db2.gz KGHADALWBFAJHM-DQMDSDHPSA-N 1 1 406.507 3.392 40 0 HGABMO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000030941979 558745624 /nfs/dbraw/zinc/74/56/24/558745624.db2.gz IUFXPIHCAVXWMO-UHFFFAOYSA-N 1 1 406.486 3.258 40 0 HGABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000034257318 558773535 /nfs/dbraw/zinc/77/35/35/558773535.db2.gz RJIRXXZCCHBEJI-LZWOXQAQSA-N 1 1 409.313 3.014 40 0 HGABMO COc1cc(C[N@@H+](CCCN2CCOCC2)Cc2ccc(C)o2)cc2c1OCO2 ZINC000019216429 558850383 /nfs/dbraw/zinc/85/03/83/558850383.db2.gz FZVPYOQGSFNYRY-UHFFFAOYSA-N 1 1 402.491 3.050 40 0 HGABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)no1)N1CCC(O)CC1 ZINC000019349011 558874872 /nfs/dbraw/zinc/87/48/72/558874872.db2.gz VINWMFBXDFEUCH-INIZCTEOSA-N 1 1 403.910 3.305 40 0 HGABMO c1ccc(C[N@H+]2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)nc1 ZINC000019401622 558883626 /nfs/dbraw/zinc/88/36/26/558883626.db2.gz SFISTZLIZUFIFQ-HXUWFJFHSA-N 1 1 416.529 3.150 40 0 HGABMO COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c1 ZINC000019448345 558887405 /nfs/dbraw/zinc/88/74/05/558887405.db2.gz RJQRWQPPNFNZQI-OAQYLSRUSA-N 1 1 424.545 3.254 40 0 HGABMO CC(C)OC[C@@H](O)CN1CC[NH+](Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019450398 558888906 /nfs/dbraw/zinc/88/89/06/558888906.db2.gz UJEHQMZRGYUMAO-KRWDZBQOSA-N 1 1 414.575 3.195 40 0 HGABMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1 ZINC000019454291 558891315 /nfs/dbraw/zinc/89/13/15/558891315.db2.gz IGWGVNDWRJBDPJ-FPOVZHCZSA-N 1 1 420.561 3.235 40 0 HGABMO CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019501318 558899258 /nfs/dbraw/zinc/89/92/58/558899258.db2.gz BURUEWBWZCTNMV-OAHLLOKOSA-N 1 1 400.548 3.308 40 0 HGABMO CCN1CC[N@@H+](CC2=CCCOC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527441 558908595 /nfs/dbraw/zinc/90/85/95/558908595.db2.gz ABEDEFHDBNTABR-DEOSSOPVSA-N 1 1 405.542 3.418 40 0 HGABMO COC(=O)C1=CO[C@H](C)[C@@H]2C[N@@H+]3CCc4c5cc(OC)c(OC)cc5[nH]c4[C@@H]3C[C@H]12 ZINC000059796447 558939278 /nfs/dbraw/zinc/93/92/78/558939278.db2.gz FGWJRZQNNZVCHR-AGLNLLDASA-N 1 1 412.486 3.196 40 0 HGABMO COC(=O)C1=CO[C@H](C)[C@@H]2C[N@H+]3CCc4c5cc(OC)c(OC)cc5[nH]c4[C@@H]3C[C@H]12 ZINC000059796447 558939280 /nfs/dbraw/zinc/93/92/80/558939280.db2.gz FGWJRZQNNZVCHR-AGLNLLDASA-N 1 1 412.486 3.196 40 0 HGABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)c1 ZINC000019594350 558945293 /nfs/dbraw/zinc/94/52/93/558945293.db2.gz ZFIMJSNASFBZKU-KRWDZBQOSA-N 1 1 413.547 3.469 40 0 HGABMO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372530 558960114 /nfs/dbraw/zinc/96/01/14/558960114.db2.gz YUHKPGFXNPKKIM-LJQANCHMSA-N 1 1 418.567 3.264 40 0 HGABMO CNc1nc([C@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)nc2c1CC[N@H+](C)C2 ZINC000019707117 558969305 /nfs/dbraw/zinc/96/93/05/558969305.db2.gz INIQTZJZWDYNGA-LJQANCHMSA-N 1 1 411.525 3.287 40 0 HGABMO CNc1nc([C@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)nc2c1CC[N@@H+](C)C2 ZINC000019707117 558969306 /nfs/dbraw/zinc/96/93/06/558969306.db2.gz INIQTZJZWDYNGA-LJQANCHMSA-N 1 1 411.525 3.287 40 0 HGABMO CCc1[nH+]ccn1[C@H](C)C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1 ZINC000019708422 558970790 /nfs/dbraw/zinc/97/07/90/558970790.db2.gz ZVVMBIBGOQDGBF-QGZVFWFLSA-N 1 1 423.561 3.480 40 0 HGABMO C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@@H+](CC2CCCCC2)CC3)CC1 ZINC000072398735 558976371 /nfs/dbraw/zinc/97/63/71/558976371.db2.gz DJNQQKJQDPXHIO-LPHOPBHVSA-N 1 1 412.578 3.070 40 0 HGABMO Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@H]4CC[N@H+](C)C[C@H]4C)cc3)nc2n1 ZINC000257207090 558988932 /nfs/dbraw/zinc/98/89/32/558988932.db2.gz BGGZICMIEFPWTK-UZLBHIALSA-N 1 1 420.561 3.443 40 0 HGABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1 ZINC000585106196 559028505 /nfs/dbraw/zinc/02/85/05/559028505.db2.gz BNAUKOGZFBJDKF-FCEUIQTBSA-N 1 1 423.601 3.254 40 0 HGABMO C[C@H](C[N@H+]1C[C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]21)c1ccccc1 ZINC000585108037 559029827 /nfs/dbraw/zinc/02/98/27/559029827.db2.gz XKSOIVWCAUSGSI-LDBYXDLTSA-N 1 1 406.498 3.463 40 0 HGABMO CC(C)n1nc(C[NH+]2CCCC2)c2c1CN(S(=O)(=O)c1ccc(F)c(F)c1)CC2 ZINC000096084246 559095015 /nfs/dbraw/zinc/09/50/15/559095015.db2.gz SYQOWLJNPYWLDO-UHFFFAOYSA-N 1 1 424.517 3.085 40 0 HGABMO CC(C)C[N@H+]1CC2(CCN(C(=O)CCc3ccccc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144199 559096511 /nfs/dbraw/zinc/09/65/11/559096511.db2.gz BUYXUYVZOBKWHA-RUZDIDTESA-N 1 1 411.590 3.048 40 0 HGABMO CC(C)C[N@H+]1CC2(CCN(C(=O)CCc3ccccc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144200 559096526 /nfs/dbraw/zinc/09/65/26/559096526.db2.gz BUYXUYVZOBKWHA-VWLOTQADSA-N 1 1 411.590 3.048 40 0 HGABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O ZINC000096144323 559096630 /nfs/dbraw/zinc/09/66/30/559096630.db2.gz GNBZIARQVCCLHJ-VWLOTQADSA-N 1 1 411.590 3.428 40 0 HGABMO CCN1[C@H]2CC[N@@H+](Cc3cccc(OC)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145740 559097532 /nfs/dbraw/zinc/09/75/32/559097532.db2.gz HQOHCCDFTDTPDM-PMACEKPBSA-N 1 1 416.543 3.131 40 0 HGABMO CCC(CC)NC(=O)c1ccc2nnc([C@H]3C[N@@H+](CC4CC4)CCN3C(C)C)n2c1 ZINC000096156822 559100715 /nfs/dbraw/zinc/10/07/15/559100715.db2.gz DPONANJIXYGCGG-HXUWFJFHSA-N 1 1 412.582 3.125 40 0 HGABMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)n1 ZINC000096216182 559101930 /nfs/dbraw/zinc/10/19/30/559101930.db2.gz MQBLCJHMPYUPMS-NRFANRHFSA-N 1 1 403.523 3.206 40 0 HGABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccco4)CC3)c3ccccc32)CC1 ZINC000096242227 559103870 /nfs/dbraw/zinc/10/38/70/559103870.db2.gz JFZPJVFLWZDVTO-LJQANCHMSA-N 1 1 421.541 3.105 40 0 HGABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccco4)CC3)c3ccccc32)CC1 ZINC000096242228 559103893 /nfs/dbraw/zinc/10/38/93/559103893.db2.gz JFZPJVFLWZDVTO-IBGZPJMESA-N 1 1 421.541 3.105 40 0 HGABMO Cn1ccnc1COc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585270784 559116394 /nfs/dbraw/zinc/11/63/94/559116394.db2.gz QMYIWFHHKVLDBQ-DEOSSOPVSA-N 1 1 407.514 3.405 40 0 HGABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NCc2ccccc2)CC1 ZINC000585272067 559117918 /nfs/dbraw/zinc/11/79/18/559117918.db2.gz FJUGKHQNJMPUAO-QHCPKHFHSA-N 1 1 400.494 3.392 40 0 HGABMO Cc1cccc(OC[C@@]2(O)C[N@@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585287200 559122174 /nfs/dbraw/zinc/12/21/74/559122174.db2.gz KXVLGQITDZTHHE-SJROBZAFSA-N 1 1 405.579 3.139 40 0 HGABMO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@](C)(C(C)(C)O)C2 ZINC000253503888 560038547 /nfs/dbraw/zinc/03/85/47/560038547.db2.gz AKBVQTSSRCUQMV-RYRWCEQPSA-N 1 1 411.542 3.077 40 0 biogenic,in-vitro HGABMO CCOC(=O)c1cccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C)ccc43)CC2)c1 ZINC000004895342 560611098 /nfs/dbraw/zinc/61/10/98/560611098.db2.gz YASSHGAQZHKHSW-UHFFFAOYSA-N 1 1 421.501 3.192 40 0 HGABMO CCOc1ccc(NC(=O)NC2CC[NH+](CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000004909359 560618150 /nfs/dbraw/zinc/61/81/50/560618150.db2.gz XAKRQMQQJBGDEX-UWJYYQICSA-N 1 1 416.566 3.366 40 0 HGABMO C=C1[NH+]=C(SCC(=O)OCC)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408992261 560662425 /nfs/dbraw/zinc/66/24/25/560662425.db2.gz SOIJTIZEURYFHC-SFHVURJKSA-N 1 1 406.504 3.219 40 0 HGABMO COc1ccc(-c2nc(N3CC[NH+](C)CC3)nc3c2C(=O)c2ccccc2-3)cc1OC ZINC000017090633 560865491 /nfs/dbraw/zinc/86/54/91/560865491.db2.gz UVDSPVZYYOORTK-UHFFFAOYSA-N 1 1 416.481 3.124 40 0 HGABMO COCC[NH+]1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)CC1 ZINC000057712258 568496070 /nfs/dbraw/zinc/49/60/70/568496070.db2.gz QWWUYNYXSWPYGO-UHFFFAOYSA-N 1 1 409.509 3.183 40 0 HGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223521801 568550900 /nfs/dbraw/zinc/55/09/00/568550900.db2.gz ZBXLDAAZLFNNNX-INIZCTEOSA-N 1 1 413.609 3.300 40 0 HGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000224008629 568566095 /nfs/dbraw/zinc/56/60/95/568566095.db2.gz HXDRUJXVXBWPMZ-AWEZNQCLSA-N 1 1 402.944 3.060 40 0 HGABMO COC(=O)CSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260813220 568740114 /nfs/dbraw/zinc/74/01/14/568740114.db2.gz QYVSQYKYUGOYIW-ZDUSSCGKSA-N 1 1 420.560 3.287 40 0 HGABMO CC(C)n1c2ccc(S(=O)(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc2sc1=O ZINC000260802906 568740343 /nfs/dbraw/zinc/74/03/43/568740343.db2.gz QADILPLIDMYTGM-HNNXBMFYSA-N 1 1 411.593 3.044 40 0 HGABMO CCn1c(CCCC(=O)N(C)[C@@H]2CCC[C@@H](n3cc[nH+]c3C)[C@@H]2O)nc2ccccc21 ZINC000257243545 568788484 /nfs/dbraw/zinc/78/84/84/568788484.db2.gz IHMLCEYJGWLJBC-PQNGQFLHSA-N 1 1 423.561 3.497 40 0 HGABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257262253 568793490 /nfs/dbraw/zinc/79/34/90/568793490.db2.gz LKSNRYRHGLQCIV-VWLOTQADSA-N 1 1 416.525 3.335 40 0 HGABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(Cl)cc1 ZINC000257282605 568799190 /nfs/dbraw/zinc/79/91/90/568799190.db2.gz OULTUAHOYXTCFA-GMAHTHKFSA-N 1 1 413.949 3.380 40 0 HGABMO Cc1nc2ccccn2c1-c1nnc2sc(CC[N@H+](C)Cc3ccccc3)nn21 ZINC000227144056 568827986 /nfs/dbraw/zinc/82/79/86/568827986.db2.gz BKVYAYBBRGADJW-UHFFFAOYSA-N 1 1 403.515 3.483 40 0 HGABMO Cc1ccc(C[N@@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)s1 ZINC000306123680 568886869 /nfs/dbraw/zinc/88/68/69/568886869.db2.gz ATUZZGKOHVFZSE-KRWDZBQOSA-N 1 1 421.530 3.236 40 0 HGABMO Cc1ccc(C[N@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)s1 ZINC000306123680 568886871 /nfs/dbraw/zinc/88/68/71/568886871.db2.gz ATUZZGKOHVFZSE-KRWDZBQOSA-N 1 1 421.530 3.236 40 0 HGABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccccc3F)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125425 568888166 /nfs/dbraw/zinc/88/81/66/568888166.db2.gz CQOCNVNBAKUORS-CVDCTZTESA-N 1 1 414.525 3.068 40 0 HGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126032 568888613 /nfs/dbraw/zinc/88/86/13/568888613.db2.gz DKBHTDLNPCYXGE-WIOPSUGQSA-N 1 1 422.573 3.461 40 0 HGABMO COCCN1CC[C@@]2(C[N@@H+](Cc3cccc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134936 568896912 /nfs/dbraw/zinc/89/69/12/568896912.db2.gz OBXYVHMFRUGUEZ-QPPBQGQZSA-N 1 1 410.562 3.237 40 0 HGABMO Cc1cnc(N2CC[C@@H](NC(=O)C(C)C)[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000306136050 568898027 /nfs/dbraw/zinc/89/80/27/568898027.db2.gz PHNIALQQRMGAAE-KNQAVFIVSA-N 1 1 413.591 3.090 40 0 HGABMO Cc1cccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC000306136944 568898847 /nfs/dbraw/zinc/89/88/47/568898847.db2.gz QHECZGXJEKIDMM-URXFXBBRSA-N 1 1 407.562 3.396 40 0 HGABMO 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CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc(CC)cc4)C3)[nH]c(=O)c2C1 ZINC000019501586 558899640 /nfs/dbraw/zinc/89/96/40/558899640.db2.gz IIYNSSCRFDIYBE-HXUWFJFHSA-N 1 1 422.573 3.397 40 0 HGABMO CCc1ncc(C[N@H+]2CCC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cn1 ZINC000019523368 558904680 /nfs/dbraw/zinc/90/46/80/558904680.db2.gz RPHQQOASVSFMKS-RUZDIDTESA-N 1 1 415.541 3.411 40 0 HGABMO CCN1CC[N@@H+](CC2=CCCOC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527440 558908573 /nfs/dbraw/zinc/90/85/73/558908573.db2.gz ABEDEFHDBNTABR-XMMPIXPASA-N 1 1 405.542 3.418 40 0 HGABMO CCOc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1OC ZINC000019533735 558913303 /nfs/dbraw/zinc/91/33/03/558913303.db2.gz AKRMOPBYDQUOBY-SFHVURJKSA-N 1 1 406.486 3.229 40 0 HGABMO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)no2)cc1 ZINC000019555863 558918500 /nfs/dbraw/zinc/91/85/00/558918500.db2.gz FHKBBSTYQSTPEC-LJQANCHMSA-N 1 1 406.486 3.388 40 0 HGABMO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)no2)cc1 ZINC000019555860 558918570 /nfs/dbraw/zinc/91/85/70/558918570.db2.gz RDXIYCLXKYEEDO-IBGZPJMESA-N 1 1 406.486 3.388 40 0 HGABMO COc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@@](O)(c5ccccn5)[C@@H]4C3)cn2)cc1 ZINC000019558593 558920377 /nfs/dbraw/zinc/92/03/77/558920377.db2.gz JCZAJFYRKHXDKR-LEEZEASISA-N 1 1 402.498 3.277 40 0 HGABMO Cc1cc(-c2cnc(C)nc2C2CC[NH+](CC(=O)NCc3cccs3)CC2)on1 ZINC000072334653 558935666 /nfs/dbraw/zinc/93/56/66/558935666.db2.gz HDANPECUZLJNPW-UHFFFAOYSA-N 1 1 411.531 3.306 40 0 HGABMO C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC000019587603 558939824 /nfs/dbraw/zinc/93/98/24/558939824.db2.gz MZZPVTJYLKEASI-LAUBAEHRSA-N 1 1 410.493 3.032 40 0 HGABMO C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC000019587605 558939868 /nfs/dbraw/zinc/93/98/68/558939868.db2.gz MZZPVTJYLKEASI-DYESRHJHSA-N 1 1 410.493 3.032 40 0 HGABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019593231 558944301 /nfs/dbraw/zinc/94/43/01/558944301.db2.gz XPHCJWWZTDRUJM-VGSWGCGISA-N 1 1 403.473 3.466 40 0 HGABMO CCNC(=O)N1CCC[C@H](C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)C1 ZINC000072352956 558949330 /nfs/dbraw/zinc/94/93/30/558949330.db2.gz QVEFKHXAZICWHT-OAHLLOKOSA-N 1 1 401.486 3.357 40 0 HGABMO CCNC(=O)N1CCC[C@H](C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)C1 ZINC000072352956 558949332 /nfs/dbraw/zinc/94/93/32/558949332.db2.gz QVEFKHXAZICWHT-OAHLLOKOSA-N 1 1 401.486 3.357 40 0 HGABMO CNc1cc([C@H]2CCC[N@@H+](Cc3cccc(C)c3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370151 558956322 /nfs/dbraw/zinc/95/63/22/558956322.db2.gz DJFPTVFICHQILE-SFHVURJKSA-N 1 1 411.550 3.193 40 0 HGABMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1)N1CCCC1 ZINC000072374495 558962257 /nfs/dbraw/zinc/96/22/57/558962257.db2.gz NGLOGTKKMYASEQ-FQEVSTJZSA-N 1 1 404.518 3.329 40 0 HGABMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1)N1CCCC1 ZINC000072374495 558962262 /nfs/dbraw/zinc/96/22/62/558962262.db2.gz NGLOGTKKMYASEQ-FQEVSTJZSA-N 1 1 404.518 3.329 40 0 HGABMO CC(C)Nc1[nH]nc2nc([C@H]3CCC[N@H+](CC(=O)N(C)C)C3)cc(C(F)(F)F)c21 ZINC000019695773 558964064 /nfs/dbraw/zinc/96/40/64/558964064.db2.gz VVMHIXSLESMFOP-LBPRGKRZSA-N 1 1 412.460 3.065 40 0 HGABMO CC(C)Nc1[nH]nc2nc([C@H]3CCC[N@@H+](CC(=O)N(C)C)C3)cc(C(F)(F)F)c21 ZINC000019695773 558964066 /nfs/dbraw/zinc/96/40/66/558964066.db2.gz VVMHIXSLESMFOP-LBPRGKRZSA-N 1 1 412.460 3.065 40 0 HGABMO CC(C)Nc1n[nH]c2nc([C@H]3CCC[N@H+](CC(=O)N(C)C)C3)cc(C(F)(F)F)c12 ZINC000019695773 558964068 /nfs/dbraw/zinc/96/40/68/558964068.db2.gz VVMHIXSLESMFOP-LBPRGKRZSA-N 1 1 412.460 3.065 40 0 HGABMO CC(C)Nc1n[nH]c2nc([C@H]3CCC[N@@H+](CC(=O)N(C)C)C3)cc(C(F)(F)F)c12 ZINC000019695773 558964069 /nfs/dbraw/zinc/96/40/69/558964069.db2.gz VVMHIXSLESMFOP-LBPRGKRZSA-N 1 1 412.460 3.065 40 0 HGABMO CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)C[N@H+](Cc2ccccn2)CCO1 ZINC000072389035 558969412 /nfs/dbraw/zinc/96/94/12/558969412.db2.gz YAJPKXURTRRBCO-RUZDIDTESA-N 1 1 401.510 3.308 40 0 HGABMO 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HGABMO COc1ccc(CNC2=[NH+][C@@H](c3ccc(SC)cc3)n3c(=O)cc(C)nc3N2)cc1 ZINC000101983093 560730150 /nfs/dbraw/zinc/73/01/50/560730150.db2.gz NAEFSZBGZRJXGM-HXUWFJFHSA-N 1 1 421.526 3.400 40 0 HGABMO CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000012481577 560780625 /nfs/dbraw/zinc/78/06/25/560780625.db2.gz AAHHGSGKVBCAHW-ROUUACIJSA-N 1 1 407.580 3.309 40 0 HGABMO CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020142163 560881576 /nfs/dbraw/zinc/88/15/76/560881576.db2.gz GOFBMJYJJVVUBS-QHCPKHFHSA-N 1 1 404.562 3.431 40 0 HGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224390224 568580053 /nfs/dbraw/zinc/58/00/53/568580053.db2.gz BJPFERNUBDOHBV-LJQANCHMSA-N 1 1 407.580 3.001 40 0 HGABMO Cc1cc(C)cc(N(CCCC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)S(C)(=O)=O)c1 ZINC000260772830 568738614 /nfs/dbraw/zinc/73/86/14/568738614.db2.gz WVSMOCUNTQZXTM-SFHVURJKSA-N 1 1 423.623 3.088 40 0 HGABMO CO[C@H]1CC[N@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@]12CCCO2 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/nfs/dbraw/zinc/78/31/89/568783189.db2.gz FAEFNMRNPVURSZ-LJQANCHMSA-N 1 1 420.517 3.449 40 0 HGABMO CCN1CC[N@H+](Cc2[nH]cnc2C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257264225 568794048 /nfs/dbraw/zinc/79/40/48/568794048.db2.gz LTLVIWURYDMSAT-OAQYLSRUSA-N 1 1 403.530 3.303 40 0 HGABMO CCN1CC[N@@H+](Cc2[nH]cnc2C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257264225 568794049 /nfs/dbraw/zinc/79/40/49/568794049.db2.gz LTLVIWURYDMSAT-OAQYLSRUSA-N 1 1 403.530 3.303 40 0 HGABMO O=C(NCCn1nc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)c2cccnc21)C1CC1 ZINC000257296282 568803326 /nfs/dbraw/zinc/80/33/26/568803326.db2.gz RCBGQMXKHKOPFI-IBGZPJMESA-N 1 1 421.520 3.476 40 0 HGABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@]12CCCO2 ZINC000257325899 568811969 /nfs/dbraw/zinc/81/19/69/568811969.db2.gz WUXSBSRMGCLFMR-VWNXMTODSA-N 1 1 410.514 3.474 40 0 HGABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@]12CCCO2 ZINC000257325899 568811970 /nfs/dbraw/zinc/81/19/70/568811970.db2.gz WUXSBSRMGCLFMR-VWNXMTODSA-N 1 1 410.514 3.474 40 0 HGABMO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000026781655 568831673 /nfs/dbraw/zinc/83/16/73/568831673.db2.gz ADSJQIDDMMZGJH-SFHVURJKSA-N 1 1 409.299 3.150 40 0 HGABMO COc1cccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)c1 ZINC000306126194 568888874 /nfs/dbraw/zinc/88/88/74/568888874.db2.gz DPESYCFYQLYJHI-NHCUHLMSSA-N 1 1 408.527 3.343 40 0 HGABMO Cc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)s1 ZINC000306131012 568893474 /nfs/dbraw/zinc/89/34/74/568893474.db2.gz JUUVTNYBSFMMCM-CABCVRRESA-N 1 1 411.506 3.344 40 0 HGABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccncc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306133429 568895301 /nfs/dbraw/zinc/89/53/01/568895301.db2.gz MLAUJOGDVSJVBV-WIOPSUGQSA-N 1 1 415.541 3.224 40 0 HGABMO COCCN1CC[C@]2(C[N@@H+](Cc3sccc3C)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306136875 568898688 /nfs/dbraw/zinc/89/86/88/568898688.db2.gz QFJZHKJMBUTWRL-XMSQKQJNSA-N 1 1 416.591 3.298 40 0 HGABMO 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3.083 40 0 HGABMO C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC000019587619 558939837 /nfs/dbraw/zinc/93/98/37/558939837.db2.gz RRGQNNGSPXJTOA-GHTZIAJQSA-N 1 1 410.493 3.032 40 0 HGABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591329 558941626 /nfs/dbraw/zinc/94/16/26/558941626.db2.gz MGMKWPYONXMYTF-DEOSSOPVSA-N 1 1 401.514 3.110 40 0 HGABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019591339 558941972 /nfs/dbraw/zinc/94/19/72/558941972.db2.gz BJLYOQXRZHXHBN-DEOSSOPVSA-N 1 1 401.514 3.110 40 0 HGABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000019591909 558942584 /nfs/dbraw/zinc/94/25/84/558942584.db2.gz QMLWQBVCGVKAJR-VWLOTQADSA-N 1 1 419.500 3.447 40 0 HGABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000019591909 558942586 /nfs/dbraw/zinc/94/25/86/558942586.db2.gz QMLWQBVCGVKAJR-VWLOTQADSA-N 1 1 419.500 3.447 40 0 HGABMO COCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019593790 558944797 /nfs/dbraw/zinc/94/47/97/558944797.db2.gz GZBCQQYHBBNARY-YTQUADARSA-N 1 1 421.492 3.206 40 0 HGABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)c1 ZINC000019594352 558945359 /nfs/dbraw/zinc/94/53/59/558945359.db2.gz ZFIMJSNASFBZKU-QGZVFWFLSA-N 1 1 413.547 3.469 40 0 HGABMO COc1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)[nH]n2)c1 ZINC000072371742 558959161 /nfs/dbraw/zinc/95/91/61/558959161.db2.gz DXGRGVIJGGCCDJ-GOSISDBHSA-N 1 1 421.545 3.490 40 0 HGABMO COc1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)n[nH]2)c1 ZINC000072371742 558959162 /nfs/dbraw/zinc/95/91/62/558959162.db2.gz DXGRGVIJGGCCDJ-GOSISDBHSA-N 1 1 421.545 3.490 40 0 HGABMO COc1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)n[nH]2)c1 ZINC000072371742 558959163 /nfs/dbraw/zinc/95/91/63/558959163.db2.gz DXGRGVIJGGCCDJ-GOSISDBHSA-N 1 1 421.545 3.490 40 0 HGABMO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372531 558960050 /nfs/dbraw/zinc/96/00/50/558960050.db2.gz YUHKPGFXNPKKIM-IBGZPJMESA-N 1 1 418.567 3.264 40 0 HGABMO CNc1nc([C@@H]2CCCCN2C(=O)c2cccc3cccnc32)nc2c1CC[N@H+](C)C2 ZINC000072376560 558965826 /nfs/dbraw/zinc/96/58/26/558965826.db2.gz UZCZPCRZXIQKPW-FQEVSTJZSA-N 1 1 416.529 3.422 40 0 HGABMO CNc1nc([C@@H]2CCCCN2C(=O)c2cccc3cccnc32)nc2c1CC[N@@H+](C)C2 ZINC000072376560 558965829 /nfs/dbraw/zinc/96/58/29/558965829.db2.gz UZCZPCRZXIQKPW-FQEVSTJZSA-N 1 1 416.529 3.422 40 0 HGABMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701038 558967331 /nfs/dbraw/zinc/96/73/31/558967331.db2.gz JCKRBCONCPDBHP-QGOAFFKASA-N 1 1 413.525 3.450 40 0 HGABMO C/C(=C\c1ccccc1)C[N@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701038 558967334 /nfs/dbraw/zinc/96/73/34/558967334.db2.gz JCKRBCONCPDBHP-QGOAFFKASA-N 1 1 413.525 3.450 40 0 HGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072379168 558968045 /nfs/dbraw/zinc/96/80/45/558968045.db2.gz UXDNYYYYKKHVJH-MRXNPFEDSA-N 1 1 400.479 3.283 40 0 HGABMO CCc1nc2ccccc2n1C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019714025 558973967 /nfs/dbraw/zinc/97/39/67/558973967.db2.gz PTJZMRDDHJJZPZ-IBGZPJMESA-N 1 1 405.546 3.364 40 0 HGABMO CCc1nc2ccccc2n1C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019714025 558973969 /nfs/dbraw/zinc/97/39/69/558973969.db2.gz PTJZMRDDHJJZPZ-IBGZPJMESA-N 1 1 405.546 3.364 40 0 HGABMO C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@@H+](CC2CCCCC2)CC3)CC1 ZINC000072398737 558976148 /nfs/dbraw/zinc/97/61/48/558976148.db2.gz DJNQQKJQDPXHIO-QFBILLFUSA-N 1 1 412.578 3.070 40 0 HGABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1 ZINC000585103471 559026622 /nfs/dbraw/zinc/02/66/22/559026622.db2.gz GLBISVXFEJOGIG-YPAWHYETSA-N 1 1 400.563 3.242 40 0 HGABMO O=C(c1ccnc(F)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC000585103544 559026631 /nfs/dbraw/zinc/02/66/31/559026631.db2.gz XRXRYEZBGXOSON-ZJSXRUAMSA-N 1 1 424.520 3.007 40 0 HGABMO C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C1 ZINC000585104250 559026855 /nfs/dbraw/zinc/02/68/55/559026855.db2.gz OSIPRLPMLDMORB-FPOVZHCZSA-N 1 1 406.592 3.119 40 0 HGABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106341 559028712 /nfs/dbraw/zinc/02/87/12/559028712.db2.gz XPEWNPHHBSSJNT-QRQLOZEOSA-N 1 1 417.981 3.110 40 0 HGABMO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](C[N@H+]3C[C@H](C)c3ccccc3)C2)c1 ZINC000585107933 559029729 /nfs/dbraw/zinc/02/97/29/559029729.db2.gz GQDSFXBAETZEBS-LRXVAGHRSA-N 1 1 400.544 3.194 40 0 HGABMO COc1cc(F)ccc1C(=O)N1CCc2ncc(-c3cccc4c3C[N@@H+](C)C4)n2CC1 ZINC000585111403 559030473 /nfs/dbraw/zinc/03/04/73/559030473.db2.gz SIBHMALFINGULF-UHFFFAOYSA-N 1 1 420.488 3.342 40 0 HGABMO O=C(c1ccnc(F)c1)N1CCO[C@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1 ZINC000585113152 559031115 /nfs/dbraw/zinc/03/11/15/559031115.db2.gz PMEJGPZIGIFQSG-IBGZPJMESA-N 1 1 403.417 3.144 40 0 HGABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccsc1)CC3 ZINC000096036324 559089947 /nfs/dbraw/zinc/08/99/47/559089947.db2.gz LSMYNQYEOOCIMT-WMZHIEFXSA-N 1 1 415.603 3.325 40 0 HGABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096056083 559093952 /nfs/dbraw/zinc/09/39/52/559093952.db2.gz FZTCTXUCQKITSW-RDPSFJRHSA-N 1 1 408.546 3.062 40 0 HGABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096056083 559093953 /nfs/dbraw/zinc/09/39/53/559093953.db2.gz FZTCTXUCQKITSW-RDPSFJRHSA-N 1 1 408.546 3.062 40 0 HGABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096056083 559093955 /nfs/dbraw/zinc/09/39/55/559093955.db2.gz FZTCTXUCQKITSW-RDPSFJRHSA-N 1 1 408.546 3.062 40 0 HGABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1nccs1)CCC2 ZINC000096056078 559094031 /nfs/dbraw/zinc/09/40/31/559094031.db2.gz AMOZKYVHUSCAMB-AVRDEDQJSA-N 1 1 414.575 3.124 40 0 HGABMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)C2)n1 ZINC000096216220 559101776 /nfs/dbraw/zinc/10/17/76/559101776.db2.gz NSIASIFOYNHOHM-OAQYLSRUSA-N 1 1 403.523 3.206 40 0 HGABMO C[N@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]12 ZINC000096263630 559107202 /nfs/dbraw/zinc/10/72/02/559107202.db2.gz BKNOGZBPSITGQG-WIYYLYMNSA-N 1 1 404.942 3.281 40 0 HGABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269633 559115330 /nfs/dbraw/zinc/11/53/30/559115330.db2.gz DRTISZXPVMHAJE-HSZRJFAPSA-N 1 1 402.510 3.112 40 0 HGABMO COc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269633 559115333 /nfs/dbraw/zinc/11/53/33/559115333.db2.gz DRTISZXPVMHAJE-HSZRJFAPSA-N 1 1 402.510 3.112 40 0 HGABMO COc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269633 559115334 /nfs/dbraw/zinc/11/53/34/559115334.db2.gz DRTISZXPVMHAJE-HSZRJFAPSA-N 1 1 402.510 3.112 40 0 HGABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCc3cccc(F)c3)CC2)c(C)c1 ZINC000585272434 559117956 /nfs/dbraw/zinc/11/79/56/559117956.db2.gz ITLIASLVQGIYGD-XMMPIXPASA-N 1 1 414.521 3.355 40 0 HGABMO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)C1 ZINC000585287605 559123194 /nfs/dbraw/zinc/12/31/94/559123194.db2.gz PLEPWSABVDIVHH-ZTCOLXNVSA-N 1 1 405.579 3.405 40 0 HGABMO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NCc1cccs1 ZINC000004399948 560606603 /nfs/dbraw/zinc/60/66/03/560606603.db2.gz LRRXSJOFELCMRT-UHFFFAOYSA-N 1 1 423.464 3.465 40 0 HGABMO COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012833919 560788716 /nfs/dbraw/zinc/78/87/16/560788716.db2.gz YLUAFORFLJFDMP-AUUYWEPGSA-N 1 1 410.522 3.100 40 0 HGABMO COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012833919 560788718 /nfs/dbraw/zinc/78/87/18/560788718.db2.gz YLUAFORFLJFDMP-AUUYWEPGSA-N 1 1 410.522 3.100 40 0 HGABMO COc1ccc2nc(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)ccc2c1 ZINC000013569054 560814199 /nfs/dbraw/zinc/81/41/99/560814199.db2.gz VAVWIGCCZAEOGW-UHFFFAOYSA-N 1 1 406.530 3.363 40 0 HGABMO COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000017091726 560866339 /nfs/dbraw/zinc/86/63/39/560866339.db2.gz VTJIJXQLFIUOGM-UHFFFAOYSA-N 1 1 418.950 3.227 40 0 HGABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccccc2Cl)CC[C@@]1(C)O ZINC000604383305 568489611 /nfs/dbraw/zinc/48/96/11/568489611.db2.gz UKNNTDHWAXBCBP-FDFHNCONSA-N 1 1 402.922 3.169 40 0 biogenic,in-vitro HGABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccccc2Cl)CC[C@@]1(C)O ZINC000604383305 568489613 /nfs/dbraw/zinc/48/96/13/568489613.db2.gz UKNNTDHWAXBCBP-FDFHNCONSA-N 1 1 402.922 3.169 40 0 biogenic,in-vitro HGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000224389043 568579944 /nfs/dbraw/zinc/57/99/44/568579944.db2.gz LAPAKCPYYXPWFC-UHFFFAOYSA-N 1 1 424.526 3.041 40 0 HGABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2ccccc2)N1 ZINC000257205378 568777721 /nfs/dbraw/zinc/77/77/21/568777721.db2.gz AYTTYCDPDBEYBS-WIOPSUGQSA-N 1 1 419.573 3.495 40 0 HGABMO Cc1[nH+]ccn1CCCC(=O)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257208790 568778732 /nfs/dbraw/zinc/77/87/32/568778732.db2.gz BNPCYYJKEIIWNQ-FQEVSTJZSA-N 1 1 406.490 3.105 40 0 HGABMO O=C(CC[NH+]1CCOCC1)N1CCCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000257211241 568779441 /nfs/dbraw/zinc/77/94/41/568779441.db2.gz BYBQXKGEXFOQRR-LJQANCHMSA-N 1 1 421.501 3.061 40 0 HGABMO COc1c(C)cccc1C[N@H+]1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000257243401 568788275 /nfs/dbraw/zinc/78/82/75/568788275.db2.gz IGUQCKGJSXTZGK-IBGZPJMESA-N 1 1 421.545 3.264 40 0 HGABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257262855 568793652 /nfs/dbraw/zinc/79/36/52/568793652.db2.gz LNESPIAHVJIMAX-LJQANCHMSA-N 1 1 418.545 3.498 40 0 HGABMO C[N@@H+](CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1)C1CCCC1 ZINC000257267780 568795031 /nfs/dbraw/zinc/79/50/31/568795031.db2.gz MISINMCRHKQSPH-QFIPXVFZSA-N 1 1 421.969 3.077 40 0 HGABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(OC)cc3)o2)C1 ZINC000257273616 568796780 /nfs/dbraw/zinc/79/67/80/568796780.db2.gz NHLAQLTUPLZINX-SFHVURJKSA-N 1 1 408.502 3.439 40 0 HGABMO Cc1ccc(C)c(NC(=O)CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)[C@@H](O)C2)c1 ZINC000257290636 568801703 /nfs/dbraw/zinc/80/17/03/568801703.db2.gz QDRWPFAYKVCEGT-ZCYQVOJMSA-N 1 1 407.558 3.343 40 0 HGABMO c1cn2nc(C[C@@H]3COCC[N@@H+](Cc4ccccc4N4CCCCC4)C3)ccc2n1 ZINC000257298874 568804194 /nfs/dbraw/zinc/80/41/94/568804194.db2.gz RNPOFLFCOLWVJO-FQEVSTJZSA-N 1 1 405.546 3.411 40 0 HGABMO Cc1nc2cc(NC(=O)C[N@@H+]3C[C@@H]4[C@@H](Cc5ccnc(C)n5)CC[C@@H]4C3)ccc2n1C ZINC000257319846 568810181 /nfs/dbraw/zinc/81/01/81/568810181.db2.gz VUGYORQJBKCCGJ-DBXWQHBBSA-N 1 1 418.545 3.119 40 0 HGABMO O[C@H](COc1ccccc1Br)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000026781839 568831712 /nfs/dbraw/zinc/83/17/12/568831712.db2.gz USRLLRKRRHQAIT-KRWDZBQOSA-N 1 1 409.299 3.150 40 0 HGABMO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccsc5)CCN4C)nnn3c2)cn1 ZINC000306123049 568886145 /nfs/dbraw/zinc/88/61/45/568886145.db2.gz ADJILMIZCRWXNB-HXUWFJFHSA-N 1 1 420.542 3.350 40 0 HGABMO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccsc5)CCN4C)nnn3c2)cn1 ZINC000306123049 568886147 /nfs/dbraw/zinc/88/61/47/568886147.db2.gz ADJILMIZCRWXNB-HXUWFJFHSA-N 1 1 420.542 3.350 40 0 HGABMO O=C(NCC1CCCCC1)C1CCN(C2=NO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306125828 568888571 /nfs/dbraw/zinc/88/85/71/568888571.db2.gz DDDYMHSPRXAZRJ-GOTSBHOMSA-N 1 1 424.589 3.239 40 0 HGABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccc(C)s3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128040 568890847 /nfs/dbraw/zinc/89/08/47/568890847.db2.gz GOMYVPNLMNMZHY-SIKLNZKXSA-N 1 1 416.591 3.298 40 0 HGABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)s1 ZINC000306137002 568898856 /nfs/dbraw/zinc/89/88/56/568898856.db2.gz QISYQJASBCHFBE-FQEVSTJZSA-N 1 1 406.573 3.493 40 0 HGABMO CN1CC[N@H+](Cc2ccc(F)cc2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306138819 568900703 /nfs/dbraw/zinc/90/07/03/568900703.db2.gz SIFAORBNIMVCAO-JOCHJYFZSA-N 1 1 402.477 3.419 40 0 HGABMO CN1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306138819 568900704 /nfs/dbraw/zinc/90/07/04/568900704.db2.gz SIFAORBNIMVCAO-JOCHJYFZSA-N 1 1 402.477 3.419 40 0 HGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccc1 ZINC000306140282 568901990 /nfs/dbraw/zinc/90/19/90/568901990.db2.gz UOWICAOSLDFADU-LEWJYISDSA-N 1 1 401.466 3.298 40 0 HGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306141265 568902970 /nfs/dbraw/zinc/90/29/70/568902970.db2.gz VQFYQXBJXIYXFF-HZPDHXFCSA-N 1 1 409.440 3.113 40 0 HGABMO C[C@H]1C[NH+](C[C@H](O)COc2ccc(Br)cc2Br)C[C@H](C)O1 ZINC000035052983 569027799 /nfs/dbraw/zinc/02/77/99/569027799.db2.gz ZNGPEHWUSWLOND-GVXVVHGQSA-N 1 1 423.145 3.061 40 0 HGABMO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000253592210 569318241 /nfs/dbraw/zinc/31/82/41/569318241.db2.gz ULFOUKLGNKCACO-IIMJZQEZSA-N 1 1 410.493 3.199 40 0 HGABMO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000253592210 569318242 /nfs/dbraw/zinc/31/82/42/569318242.db2.gz ULFOUKLGNKCACO-IIMJZQEZSA-N 1 1 410.493 3.199 40 0 HGABMO COC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000242400288 569326822 /nfs/dbraw/zinc/32/68/22/569326822.db2.gz ATAKWQYDVDUMEY-KURKYZTESA-N 1 1 410.333 3.041 40 0 HGABMO CC[NH+]1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 ZINC000006953438 569335639 /nfs/dbraw/zinc/33/56/39/569335639.db2.gz LYGRVOARVKCMOA-XMMPIXPASA-N 1 1 423.582 3.281 40 0 HGABMO CC(=O)NCCn1nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c2cccnc21 ZINC000012219523 569344725 /nfs/dbraw/zinc/34/47/25/569344725.db2.gz QSRXYMXXLOPWQK-KRWDZBQOSA-N 1 1 413.472 3.225 40 0 HGABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2C[N@H+](C3CCCCC3)CCO2)n1 ZINC000019694887 569346629 /nfs/dbraw/zinc/34/66/29/569346629.db2.gz MTECMPWDAZWPOZ-HXUWFJFHSA-N 1 1 409.534 3.015 40 0 HGABMO Cn1cnc(S(=O)(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)c1 ZINC000019713477 569348369 /nfs/dbraw/zinc/34/83/69/569348369.db2.gz HHDKHDHITRGRKD-URVUXULASA-N 1 1 416.591 3.059 40 0 HGABMO CCc1nn2c(nnc(C(=O)N3CC[NH+](CC)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000040384995 522711419 /nfs/dbraw/zinc/71/14/19/522711419.db2.gz IMFACZCRLOIXIN-UHFFFAOYSA-N 1 1 412.925 3.093 40 0 HGABMO O=C(COC(=O)c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072330063 526912419 /nfs/dbraw/zinc/91/24/19/526912419.db2.gz LVHZVVUCMQPRLV-UHFFFAOYSA-N 1 1 406.404 3.207 40 0 HGABMO CC1CC[NH+](Cc2nc3ccccc3n2Cc2nc3ccccc3n2CC(N)=O)CC1 ZINC000007467422 557742099 /nfs/dbraw/zinc/74/20/99/557742099.db2.gz IDYPMEGKUVTTKL-UHFFFAOYSA-N 1 1 416.529 3.152 40 0 HGABMO Cc1c(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)cnn1C ZINC000019749085 558268257 /nfs/dbraw/zinc/26/82/57/558268257.db2.gz ZOTWUVCICGALSI-INIZCTEOSA-N 1 1 409.456 3.235 40 0 HGABMO 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ZINC000585287336 559122092 /nfs/dbraw/zinc/12/20/92/559122092.db2.gz MTJNYCJSDNEDTE-SJROBZAFSA-N 1 1 405.579 3.139 40 0 HGABMO O=C1C[C@H]([NH2+]CCN2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100155041 559130889 /nfs/dbraw/zinc/13/08/89/559130889.db2.gz QCPIQZBPHOPNFA-QFIPXVFZSA-N 1 1 409.505 3.002 40 0 HGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(I)c2)C1 ZINC000107681315 559165789 /nfs/dbraw/zinc/16/57/89/559165789.db2.gz SNZAIHDSIFDCCD-OKILXGFUSA-N 1 1 400.304 3.389 40 0 HGABMO CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 ZINC000257320253 559282983 /nfs/dbraw/zinc/28/29/83/559282983.db2.gz VVYCCDBVAMMJLB-UHFFFAOYSA-N 1 1 421.607 3.104 40 0 HGABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](CC(=O)NCCc3ccccc3)C2)c1 ZINC000257252770 559284529 /nfs/dbraw/zinc/28/45/29/559284529.db2.gz JWCHCMHEZTXOOB-QHCPKHFHSA-N 1 1 416.949 3.213 40 0 HGABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](CC(=O)NCCc3ccccc3)C2)c1 ZINC000257252770 559284531 /nfs/dbraw/zinc/28/45/31/559284531.db2.gz JWCHCMHEZTXOOB-QHCPKHFHSA-N 1 1 416.949 3.213 40 0 HGABMO Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 ZINC000257275291 559285226 /nfs/dbraw/zinc/28/52/26/559285226.db2.gz NORQMNTZLQVQER-UHFFFAOYSA-N 1 1 421.607 3.158 40 0 HGABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](C4CCC(F)(F)CC4)C[C@H]2N(C)C3=O)cn1 ZINC000514289206 560033277 /nfs/dbraw/zinc/03/32/77/560033277.db2.gz FZWDZUWZDCMRSO-QUCCMNQESA-N 1 1 416.472 3.182 40 0 biogenic,in-vitro HGABMO CCOc1ccccc1[C@@H]1CCC[C@]2(O)CC[N@H+](CC(=O)NCc3ccco3)C[C@@H]12 ZINC000020529096 560093455 /nfs/dbraw/zinc/09/34/55/560093455.db2.gz ZXFHIKYBELAUEJ-PTLVVNQVSA-N 1 1 412.530 3.315 40 0 biogenic,in-vitro HGABMO CCOc1ccccc1[C@@H]1CCC[C@]2(O)CC[N@@H+](CC(=O)NCc3ccco3)C[C@@H]12 ZINC000020529096 560093457 /nfs/dbraw/zinc/09/34/57/560093457.db2.gz ZXFHIKYBELAUEJ-PTLVVNQVSA-N 1 1 412.530 3.315 40 0 biogenic,in-vitro HGABMO Cn1c(CN2CCSCC2)cc(=O)c(O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000095479252 560558246 /nfs/dbraw/zinc/55/82/46/560558246.db2.gz PCEHZJKJJZXXTI-JTSKRJEESA-N 1 1 405.608 3.040 40 0 HGABMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@@H]21 ZINC000004028675 560597326 /nfs/dbraw/zinc/59/73/26/560597326.db2.gz SYTZVGPWDLPTPO-SMXNYXPKSA-N 1 1 413.558 3.325 40 0 HGABMO CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)CC1 ZINC000012481597 560780700 /nfs/dbraw/zinc/78/07/00/560780700.db2.gz AAHHGSGKVBCAHW-QZTJIDSGSA-N 1 1 407.580 3.309 40 0 HGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000260565658 560795647 /nfs/dbraw/zinc/79/56/47/560795647.db2.gz RPIAWLPQGYHSMK-IBGZPJMESA-N 1 1 407.580 3.001 40 0 HGABMO CC[NH+]1CCN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000019913996 560877364 /nfs/dbraw/zinc/87/73/64/560877364.db2.gz UZWFWYLYIHYOKW-UHFFFAOYSA-N 1 1 416.494 3.480 40 0 HGABMO CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020139353 560881116 /nfs/dbraw/zinc/88/11/16/560881116.db2.gz HLVODGRVQPQZJX-OAQYLSRUSA-N 1 1 408.525 3.474 40 0 HGABMO O=C(c1cccc(I)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005215 568460952 /nfs/dbraw/zinc/46/09/52/568460952.db2.gz DSGMOCMJCACZLR-UHFFFAOYSA-N 1 1 406.267 3.249 40 0 HGABMO COC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000219422585 568491684 /nfs/dbraw/zinc/49/16/84/568491684.db2.gz AXFCXZDQDHXTRV-UHFFFAOYSA-N 1 1 423.351 3.073 40 0 HGABMO COCC[NH+]1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn42)CCCC3)CC1 ZINC000057712253 568496001 /nfs/dbraw/zinc/49/60/01/568496001.db2.gz KCAWQFBTVZUYQK-UHFFFAOYSA-N 1 1 409.509 3.183 40 0 HGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000260742419 568737359 /nfs/dbraw/zinc/73/73/59/568737359.db2.gz VZLBWVKGCRGUDY-KRWDZBQOSA-N 1 1 412.625 3.023 40 0 HGABMO CC(=O)N1CC[C@@H]2[C@@H](C1)CCCC[N@H+]2Cc1ccc(C(C)(C)C)cc1OCC(N)=O ZINC000257218111 568781359 /nfs/dbraw/zinc/78/13/59/568781359.db2.gz DBXUCCZWBOUHAB-WIYYLYMNSA-N 1 1 415.578 3.071 40 0 HGABMO Cc1cccc(Nc2cccc([C@@H]3CN(C(=O)Cn4cc[nH+]c4C(C)C)CCO3)n2)n1 ZINC000257224064 568783199 /nfs/dbraw/zinc/78/31/99/568783199.db2.gz FAEFNMRNPVURSZ-IBGZPJMESA-N 1 1 420.517 3.449 40 0 HGABMO Cc1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)[nH]c(=O)n1 ZINC000257245102 568788870 /nfs/dbraw/zinc/78/88/70/568788870.db2.gz IOBNYTWBYPUZMV-ZTGMJEERSA-N 1 1 406.530 3.189 40 0 HGABMO CCc1ccc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 ZINC000257297681 568803646 /nfs/dbraw/zinc/80/36/46/568803646.db2.gz RILYKCJFIDUNPH-JOCHJYFZSA-N 1 1 402.922 3.428 40 0 HGABMO CCc1ccc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 ZINC000257297681 568803648 /nfs/dbraw/zinc/80/36/48/568803648.db2.gz RILYKCJFIDUNPH-JOCHJYFZSA-N 1 1 402.922 3.428 40 0 HGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257306156 568806345 /nfs/dbraw/zinc/80/63/45/568806345.db2.gz STDWTPHEJZLHFQ-NRFANRHFSA-N 1 1 407.562 3.423 40 0 HGABMO Cc1nc2cc([C@H]3CC[N@@H+](Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257324424 568811533 /nfs/dbraw/zinc/81/15/33/568811533.db2.gz WOPXWALAEDJETE-FQEVSTJZSA-N 1 1 420.561 3.188 40 0 HGABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2C[C@@H]3[C@@H](Cc4ccccn4)CC[C@@H]3C2)c1 ZINC000257341156 568816464 /nfs/dbraw/zinc/81/64/64/568816464.db2.gz ZJBKCAOCXHLWGF-DBXWQHBBSA-N 1 1 422.529 3.188 40 0 HGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218221084 568836566 /nfs/dbraw/zinc/83/65/66/568836566.db2.gz JWRTZKAFAOVYFU-BZSNNMDCSA-N 1 1 410.333 3.123 40 0 HGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306123991 568887056 /nfs/dbraw/zinc/88/70/56/568887056.db2.gz BCMFGUKFQMKVQU-SFTDATJTSA-N 1 1 419.456 3.437 40 0 HGABMO Cc1nc(CN2CC[C@]3(C[N@H+](CC4CC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306124835 568887738 /nfs/dbraw/zinc/88/77/38/568887738.db2.gz CARBMIHRZCCRHW-DENIHFKCSA-N 1 1 413.591 3.457 40 0 HGABMO COc1cccc(C[N@H+]2C[C@@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@H]3C2)c1 ZINC000306125155 568887857 /nfs/dbraw/zinc/88/78/57/568887857.db2.gz CICUWIYXMVFZOV-PXNSSMCTSA-N 1 1 403.486 3.158 40 0 HGABMO CCn1cc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306127831 568890667 /nfs/dbraw/zinc/89/06/67/568890667.db2.gz GIRPJJAQRNTLQU-JOCHJYFZSA-N 1 1 401.518 3.101 40 0 HGABMO CCn1cc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306127831 568890670 /nfs/dbraw/zinc/89/06/70/568890670.db2.gz GIRPJJAQRNTLQU-JOCHJYFZSA-N 1 1 401.518 3.101 40 0 HGABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4sccc4C)C[C@H]2C3)cc1 ZINC000306129322 568891940 /nfs/dbraw/zinc/89/19/40/568891940.db2.gz IAPYCKYCWPMVEG-HZPDHXFCSA-N 1 1 423.542 3.213 40 0 HGABMO COc1ncccc1C[N@@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306133408 568895464 /nfs/dbraw/zinc/89/54/64/568895464.db2.gz MKKOHVIZIFSATR-NHCUHLMSSA-N 1 1 406.461 3.112 40 0 HGABMO COc1ncccc1C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306133408 568895465 /nfs/dbraw/zinc/89/54/65/568895465.db2.gz MKKOHVIZIFSATR-NHCUHLMSSA-N 1 1 406.461 3.112 40 0 HGABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)s1 ZINC000306137003 568898829 /nfs/dbraw/zinc/89/88/29/568898829.db2.gz QISYQJASBCHFBE-HXUWFJFHSA-N 1 1 406.573 3.493 40 0 HGABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)c1 ZINC000306137982 568899918 /nfs/dbraw/zinc/89/99/18/568899918.db2.gz RLSKDMIMTGFOEC-ROUUACIJSA-N 1 1 405.477 3.282 40 0 HGABMO COc1ccc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306139571 568901393 /nfs/dbraw/zinc/90/13/93/568901393.db2.gz TUPBMFDTPQIBOZ-HSZRJFAPSA-N 1 1 414.513 3.289 40 0 HGABMO COc1ccc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306139571 568901396 /nfs/dbraw/zinc/90/13/96/568901396.db2.gz TUPBMFDTPQIBOZ-HSZRJFAPSA-N 1 1 414.513 3.289 40 0 HGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccc1 ZINC000306140284 568902057 /nfs/dbraw/zinc/90/20/57/568902057.db2.gz UOWICAOSLDFADU-RTWAWAEBSA-N 1 1 401.466 3.298 40 0 HGABMO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCC[C@@H]3NC(=O)c3cnc(C)cn3)C2)s1 ZINC000306140205 568902071 /nfs/dbraw/zinc/90/20/71/568902071.db2.gz UMYKQTRSKAHTMK-FPOVZHCZSA-N 1 1 400.548 3.099 40 0 HGABMO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCC[C@@H]3NC(=O)c3cnc(C)cn3)C2)s1 ZINC000306140205 568902074 /nfs/dbraw/zinc/90/20/74/568902074.db2.gz UMYKQTRSKAHTMK-FPOVZHCZSA-N 1 1 400.548 3.099 40 0 HGABMO COC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218232410 568928544 /nfs/dbraw/zinc/92/85/44/568928544.db2.gz ATAKWQYDVDUMEY-BZSNNMDCSA-N 1 1 410.333 3.041 40 0 HGABMO COCCOc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000247887781 569315700 /nfs/dbraw/zinc/31/57/00/569315700.db2.gz DZLJSQKFHYZXBA-ROKPMTFOSA-N 1 1 412.530 3.153 40 0 HGABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)CC1 ZINC000006953515 569335606 /nfs/dbraw/zinc/33/56/06/569335606.db2.gz ONBZXSNMKJSYKS-UHFFFAOYSA-N 1 1 413.543 3.026 40 0 HGABMO COc1cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc(OC)c1OC ZINC000044917530 522428464 /nfs/dbraw/zinc/42/84/64/522428464.db2.gz AAPVBLWJLXBJGX-GOSISDBHSA-N 1 1 416.493 3.380 40 0 HGABMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034880551 557479265 /nfs/dbraw/zinc/47/92/65/557479265.db2.gz VLLJMMUWEYSLRX-GBPOLFSSSA-N 1 1 421.884 3.080 40 0 HGABMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000009012098 557819125 /nfs/dbraw/zinc/81/91/25/557819125.db2.gz MKPIBSLBSTYPPT-FYBXHKAZSA-N 1 1 423.472 3.271 40 0 HGABMO C[C@@H]1CCC[N@H+](CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC000019746069 558266024 /nfs/dbraw/zinc/26/60/24/558266024.db2.gz NTFBCWCTUGURSP-CQSZACIVSA-N 1 1 423.439 3.211 40 0 HGABMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC000019746069 558266026 /nfs/dbraw/zinc/26/60/26/558266026.db2.gz NTFBCWCTUGURSP-CQSZACIVSA-N 1 1 423.439 3.211 40 0 HGABMO COc1cccc(OC)c1C[NH2+]Cc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012186877 558346026 /nfs/dbraw/zinc/34/60/26/558346026.db2.gz ULAKHPIKWSNMCC-UHFFFAOYSA-N 1 1 422.460 3.468 40 0 HGABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2Cl)c1 ZINC000022913648 558520492 /nfs/dbraw/zinc/52/04/92/558520492.db2.gz BBITWAFKRVONOP-UHFFFAOYSA-N 1 1 409.939 3.131 40 0 HGABMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+]([C@H](c2nnnn2-c2ccccc2)c2ccccc2)C1 ZINC000016030675 558769394 /nfs/dbraw/zinc/76/93/94/558769394.db2.gz MTAIYTIOQSSQHB-WWEVIYMKSA-N 1 1 424.508 3.033 40 0 HGABMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+]([C@H](c2nnnn2-c2ccccc2)c2ccccc2)C1 ZINC000016030675 558769396 /nfs/dbraw/zinc/76/93/96/558769396.db2.gz MTAIYTIOQSSQHB-WWEVIYMKSA-N 1 1 424.508 3.033 40 0 HGABMO Cc1ccc(CN(Cc2ccncc2)Cc2ccnc(N3CC[NH+](C)CC3)n2)cc1 ZINC000019210182 558848219 /nfs/dbraw/zinc/84/82/19/558848219.db2.gz CKLPKHVOCJSOOM-UHFFFAOYSA-N 1 1 402.546 3.134 40 0 HGABMO Cc1nc2c(C)cccn2c1C[N@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019237592 558856847 /nfs/dbraw/zinc/85/68/47/558856847.db2.gz UEVBQTBVCXFZNW-YADARESESA-N 1 1 403.530 3.375 40 0 HGABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)nc(NC[C@@H]4CCCO4)c23)cc1CO ZINC000019286249 558860355 /nfs/dbraw/zinc/86/03/55/558860355.db2.gz JFZBOIGZVMQSDI-IRFCIJBXSA-N 1 1 424.545 3.139 40 0 HGABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)nc(NC[C@@H]4CCCO4)c23)cc1CO ZINC000019286249 558860357 /nfs/dbraw/zinc/86/03/57/558860357.db2.gz JFZBOIGZVMQSDI-IRFCIJBXSA-N 1 1 424.545 3.139 40 0 HGABMO Cc1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019287204 558860892 /nfs/dbraw/zinc/86/08/92/558860892.db2.gz SSIKNOMZEAAOPT-SIKLNZKXSA-N 1 1 411.525 3.095 40 0 HGABMO Cc1[nH+]ccn1CCC(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 ZINC000019288062 558861230 /nfs/dbraw/zinc/86/12/30/558861230.db2.gz DMYNAFRBCILFJC-UHFFFAOYSA-N 1 1 418.476 3.463 40 0 HGABMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc4c(c3)OCO4)ccc21 ZINC000019289824 558862369 /nfs/dbraw/zinc/86/23/69/558862369.db2.gz BMZHAISUPQYARK-UHFFFAOYSA-N 1 1 422.485 3.305 40 0 HGABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)no1)N1CCC(O)CC1 ZINC000019293403 558865039 /nfs/dbraw/zinc/86/50/39/558865039.db2.gz CVWVRMLGLWYMEP-MRXNPFEDSA-N 1 1 403.910 3.305 40 0 HGABMO O=C(C1CC1)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc21 ZINC000019349906 558875300 /nfs/dbraw/zinc/87/53/00/558875300.db2.gz WQJZLIYRUVAUOZ-XMMPIXPASA-N 1 1 423.532 3.371 40 0 HGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000019404207 558884510 /nfs/dbraw/zinc/88/45/10/558884510.db2.gz BAJDLLXLZXJYKP-UGKGYDQZSA-N 1 1 422.577 3.426 40 0 HGABMO O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019404891 558884727 /nfs/dbraw/zinc/88/47/27/558884727.db2.gz NYGXBHRAVJODGZ-OAQYLSRUSA-N 1 1 421.545 3.223 40 0 HGABMO 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DRTISZXPVMHAJE-QHCPKHFHSA-N 1 1 402.510 3.112 40 0 HGABMO COc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269634 559115311 /nfs/dbraw/zinc/11/53/11/559115311.db2.gz DRTISZXPVMHAJE-QHCPKHFHSA-N 1 1 402.510 3.112 40 0 HGABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)NCc3ccc(F)cc3)CC2)c(C)c1 ZINC000585272902 559117091 /nfs/dbraw/zinc/11/70/91/559117091.db2.gz KNTJNJORJLGIAA-DEOSSOPVSA-N 1 1 414.521 3.355 40 0 HGABMO CC(C)(Cc1ccccc1)NC(=O)C[NH+]1CCC(O)(COc2ccccc2F)CC1 ZINC000585274691 559118769 /nfs/dbraw/zinc/11/87/69/559118769.db2.gz YIFFTMYIVUKYOT-UHFFFAOYSA-N 1 1 414.521 3.169 40 0 HGABMO CC(=O)N1CCCC[C@@H]2[C@H]1CCC[N@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585285559 559121555 /nfs/dbraw/zinc/12/15/55/559121555.db2.gz ZTIQKQRUQHSBTC-FGZHOGPDSA-N 1 1 403.542 3.022 40 0 HGABMO C[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)c3ccc(Cl)cc3)CC[C@@H]12 ZINC000107183205 559164741 /nfs/dbraw/zinc/16/47/41/559164741.db2.gz QZOIQRPHHILWHL-DENIHFKCSA-N 1 1 412.921 3.300 40 0 HGABMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCc3nccn3C)cc2)c(C)c1 ZINC000257315016 559282941 /nfs/dbraw/zinc/28/29/41/559282941.db2.gz UZNKRNMOOGIIAT-OAQYLSRUSA-N 1 1 409.530 3.488 40 0 HGABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000257328651 559283153 /nfs/dbraw/zinc/28/31/53/559283153.db2.gz XGOPGAGAHXOODP-DEOSSOPVSA-N 1 1 407.514 3.368 40 0 HGABMO CC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 ZINC000014155369 560840154 /nfs/dbraw/zinc/84/01/54/560840154.db2.gz OMUMCORLTASQKU-UHFFFAOYSA-N 1 1 415.559 3.190 40 0 HGABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019530027 560873959 /nfs/dbraw/zinc/87/39/59/560873959.db2.gz ZFGKKZFWXMIMPI-NYDSKATKSA-N 1 1 418.509 3.391 40 0 HGABMO O=C(NCCC[NH+]1CCOCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000216496161 568465614 /nfs/dbraw/zinc/46/56/14/568465614.db2.gz KTQVRGDHMWZRPT-UHFFFAOYSA-N 1 1 400.544 3.310 40 0 HGABMO COc1ccc(-c2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4C)cc3)n2)cc1 ZINC000225299974 568628555 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CC(C)CNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000012601929 291232649 /nfs/dbraw/zinc/23/26/49/291232649.db2.gz JPKZIFUKIHKDIZ-BBWFWOEESA-N 1 1 417.648 3.447 40 0 biogenic,in-vitro HGABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)c4ccccc4F)CCN3C(C)(C)C2)cc1 ZINC000253405711 291240182 /nfs/dbraw/zinc/24/01/82/291240182.db2.gz TUIBPGVYMPVNDA-LJQANCHMSA-N 1 1 411.521 3.255 40 0 biogenic,in-vitro HGABMO CC(C)c1ccc(OCCOC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000040373302 519838205 /nfs/dbraw/zinc/83/82/05/519838205.db2.gz ZTBDWELRIPVKSV-XMMPIXPASA-N 1 1 412.574 3.384 40 0 HGABMO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(n3nnc4cc(C)ccc43)CC2)c1 ZINC000004895326 557610826 /nfs/dbraw/zinc/61/08/26/557610826.db2.gz MSICWLDKAADQMZ-UHFFFAOYSA-N 1 1 409.490 3.033 40 0 HGABMO CC(C)Oc1ccc(N2C[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000408708317 557735529 /nfs/dbraw/zinc/73/55/29/557735529.db2.gz PDVYUQNBRKVSHH-OAQYLSRUSA-N 1 1 421.541 3.171 40 0 HGABMO 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O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000012186611 558345621 /nfs/dbraw/zinc/34/56/21/558345621.db2.gz AIPFZISZESGCQC-UHFFFAOYSA-N 1 1 417.481 3.277 40 0 HGABMO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN([C@H](c3nccn3C)c3ccccc3)CC2)c1 ZINC000022887301 558518651 /nfs/dbraw/zinc/51/86/51/558518651.db2.gz DRCDWKYEJLYIHM-ZEQRLZLVSA-N 1 1 404.558 3.478 40 0 HGABMO COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000030943108 558745836 /nfs/dbraw/zinc/74/58/36/558745836.db2.gz COTHNOHZNFEZEG-UHFFFAOYSA-N 1 1 409.442 3.296 40 0 HGABMO COc1ccc(-n2nnc(C(C)=O)c2NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000019023103 558838357 /nfs/dbraw/zinc/83/83/57/558838357.db2.gz XDTSPDRWWWRMOX-IBGZPJMESA-N 1 1 409.490 3.202 40 0 HGABMO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[N@@H+]3CCC[C@H](C)C3)CC1)N2 ZINC000019128713 558844994 /nfs/dbraw/zinc/84/49/94/558844994.db2.gz SCTCSRYJWGZAEK-JCGIZDLHSA-N 1 1 409.525 3.152 40 0 HGABMO COc1cc2[nH]c(C(=O)N3CCC[N@H+](Cc4cccc(C)n4)CC3)cc2c(OC)c1 ZINC000019236279 558855297 /nfs/dbraw/zinc/85/52/97/558855297.db2.gz IQSZTJKYAJSLAP-UHFFFAOYSA-N 1 1 408.502 3.237 40 0 HGABMO COc1cc2[nH]c(C(=O)N3CCC[N@@H+](Cc4cccc(C)n4)CC3)cc2c(OC)c1 ZINC000019236279 558855298 /nfs/dbraw/zinc/85/52/98/558855298.db2.gz IQSZTJKYAJSLAP-UHFFFAOYSA-N 1 1 408.502 3.237 40 0 HGABMO Cc1ccccc1C[N@@H+]1C[C@@H](C(=O)NC(C)C)[C@H](c2ccnc(N3CCCC3)n2)C1 ZINC000019237267 558856499 /nfs/dbraw/zinc/85/64/99/558856499.db2.gz NKRWEJJWXFEZTE-NHCUHLMSSA-N 1 1 407.562 3.125 40 0 HGABMO O=C(OC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1)C1CC1 ZINC000019336836 558870181 /nfs/dbraw/zinc/87/01/81/558870181.db2.gz TVNUPIWQUKDKET-INIZCTEOSA-N 1 1 419.485 3.359 40 0 HGABMO O=C(OC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1)C1CC1 ZINC000019336836 558870184 /nfs/dbraw/zinc/87/01/84/558870184.db2.gz TVNUPIWQUKDKET-INIZCTEOSA-N 1 1 419.485 3.359 40 0 HGABMO O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019370115 558878191 /nfs/dbraw/zinc/87/81/91/558878191.db2.gz ZWHPRKMKBHVMHC-IBGZPJMESA-N 1 1 420.557 3.019 40 0 HGABMO O=C1CCCN1c1ccc(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000019402264 558883723 /nfs/dbraw/zinc/88/37/23/558883723.db2.gz MUHHENQRBQNMFI-SQJMNOBHSA-N 1 1 418.541 3.237 40 0 HGABMO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019403146 558884185 /nfs/dbraw/zinc/88/41/85/558884185.db2.gz KQGUUOXIMTWCHL-UHFFFAOYSA-N 1 1 416.403 3.331 40 0 HGABMO CC(C)[N@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019448387 558887415 /nfs/dbraw/zinc/88/74/15/558887415.db2.gz POSBZNIBAKXAJO-HXUWFJFHSA-N 1 1 406.530 3.344 40 0 HGABMO CC(=O)N[C@H]1c2ccccc2CC[C@@]12C[N@H+](Cc1ccccc1)C[C@@H]2C(=O)NC(C)C ZINC000019449788 558888520 /nfs/dbraw/zinc/88/85/20/558888520.db2.gz VJMXMHSFPSMDPT-USZFVNFHSA-N 1 1 419.569 3.453 40 0 HGABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)CC1 ZINC000019496003 558894763 /nfs/dbraw/zinc/89/47/63/558894763.db2.gz RUAJNDJQTKWXQR-BPZDKFOGSA-N 1 1 421.545 3.491 40 0 HGABMO CCc1nc(N2CCN(C(=O)c3c(C)onc3-c3ccccc3OC)CC2)cc(C)[nH+]1 ZINC000019523138 558904198 /nfs/dbraw/zinc/90/41/98/558904198.db2.gz LIKNFOMFOZSMPB-UHFFFAOYSA-N 1 1 421.501 3.282 40 0 HGABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c1OC ZINC000019567783 558927044 /nfs/dbraw/zinc/92/70/44/558927044.db2.gz CKVUKASEEAUBQC-CYBMUJFWSA-N 1 1 403.433 3.459 40 0 HGABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1 ZINC000019570309 558929305 /nfs/dbraw/zinc/92/93/05/558929305.db2.gz NHMPQEIFWHGLOZ-GOSISDBHSA-N 1 1 406.486 3.388 40 0 HGABMO Cn1cc(C[N@H+]2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 ZINC000072330478 558934790 /nfs/dbraw/zinc/93/47/90/558934790.db2.gz PKBWIODTSVJKRX-URXFXBBRSA-N 1 1 403.530 3.127 40 0 HGABMO COc1cccc(-c2noc(CCC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)n2)c1 ZINC000019589354 558940061 /nfs/dbraw/zinc/94/00/61/558940061.db2.gz GJTXMUUEIDCAMJ-HXUWFJFHSA-N 1 1 406.486 3.193 40 0 HGABMO COc1cccc(-c2noc(CCC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)n2)c1 ZINC000019589354 558940063 /nfs/dbraw/zinc/94/00/63/558940063.db2.gz GJTXMUUEIDCAMJ-HXUWFJFHSA-N 1 1 406.486 3.193 40 0 HGABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000072345901 558942484 /nfs/dbraw/zinc/94/24/84/558942484.db2.gz CQLGSAYMSPGHGD-GOSISDBHSA-N 1 1 405.477 3.343 40 0 HGABMO COCCOc1ccc(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)cc1OC ZINC000019593747 558944832 /nfs/dbraw/zinc/94/48/32/558944832.db2.gz XIIDUTTVSDLZRS-FQEVSTJZSA-N 1 1 412.530 3.156 40 0 HGABMO COCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000019593757 558944854 /nfs/dbraw/zinc/94/48/54/558944854.db2.gz INMOPQUSYKOJAN-XMMPIXPASA-N 1 1 410.514 3.041 40 0 HGABMO Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)n1 ZINC000061406574 558945150 /nfs/dbraw/zinc/94/51/50/558945150.db2.gz PWAYJOPXVNVCKZ-UHFFFAOYSA-N 1 1 418.541 3.310 40 0 HGABMO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000072373099 558960881 /nfs/dbraw/zinc/96/08/81/558960881.db2.gz CYTBWQLIRQCWPO-FPOVZHCZSA-N 1 1 422.573 3.021 40 0 HGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694674 558963281 /nfs/dbraw/zinc/96/32/81/558963281.db2.gz GNDNBASDGTZEEG-SFHVURJKSA-N 1 1 413.541 3.397 40 0 HGABMO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072376033 558965127 /nfs/dbraw/zinc/96/51/27/558965127.db2.gz SYZBBROGPPMUMK-LJQANCHMSA-N 1 1 416.529 3.419 40 0 HGABMO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072376033 558965130 /nfs/dbraw/zinc/96/51/30/558965130.db2.gz SYZBBROGPPMUMK-LJQANCHMSA-N 1 1 416.529 3.419 40 0 HGABMO C[NH+]1CCC(C(=O)N2CCC[C@H]2c2cc(CCOc3ccccc3F)[nH]n2)CC1 ZINC000019703772 558967942 /nfs/dbraw/zinc/96/79/42/558967942.db2.gz SJTMLORITBZBBG-FQEVSTJZSA-N 1 1 400.498 3.176 40 0 HGABMO Cc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)s1 ZINC000072389648 558969951 /nfs/dbraw/zinc/96/99/51/558969951.db2.gz LGKYALRZFSQQAV-FQEVSTJZSA-N 1 1 400.523 3.333 40 0 HGABMO CCC(=O)N[C@H]1C[N@H+](Cc2cn(CC)nc2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395726 558974761 /nfs/dbraw/zinc/97/47/61/558974761.db2.gz PELCWEGBVLFDCP-YADHBBJMSA-N 1 1 423.561 3.206 40 0 HGABMO COc1nc2ccccc2nc1CCC(=O)N1CCC(CCn2cc[nH+]c2C)CC1 ZINC000019717721 558980759 /nfs/dbraw/zinc/98/07/59/558980759.db2.gz AVMBANDZMZZJAB-UHFFFAOYSA-N 1 1 407.518 3.405 40 0 HGABMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)cc1 ZINC000585100076 559023748 /nfs/dbraw/zinc/02/37/48/559023748.db2.gz FAESMUOLYQFHKT-JOCHJYFZSA-N 1 1 406.592 3.202 40 0 HGABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100470 559024018 /nfs/dbraw/zinc/02/40/18/559024018.db2.gz KZGANLZVVDFTFF-XMMPIXPASA-N 1 1 424.545 3.069 40 0 HGABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585104886 559027527 /nfs/dbraw/zinc/02/75/27/559027527.db2.gz VVCICVFJPCKLQH-GCJKJVERSA-N 1 1 416.562 3.447 40 0 HGABMO Cc1noc(C)c1C(=O)N1CCC[C@]2(C1)C[N@H+](C)Cc1c(-c3ccccc3)ncn12 ZINC000585107431 559027936 /nfs/dbraw/zinc/02/79/36/559027936.db2.gz VQVHEJUKBVVNJR-HSZRJFAPSA-N 1 1 405.502 3.232 40 0 HGABMO Cc1noc(C)c1C(=O)N1CCC[C@]2(C1)C[N@@H+](C)Cc1c(-c3ccccc3)ncn12 ZINC000585107431 559027938 /nfs/dbraw/zinc/02/79/38/559027938.db2.gz VQVHEJUKBVVNJR-HSZRJFAPSA-N 1 1 405.502 3.232 40 0 HGABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056084 559093848 /nfs/dbraw/zinc/09/38/48/559093848.db2.gz CWXBCFVTFJGVIF-URXFXBBRSA-N 1 1 408.546 3.062 40 0 HGABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096056084 559093851 /nfs/dbraw/zinc/09/38/51/559093851.db2.gz CWXBCFVTFJGVIF-URXFXBBRSA-N 1 1 408.546 3.062 40 0 HGABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096056084 559093853 /nfs/dbraw/zinc/09/38/53/559093853.db2.gz CWXBCFVTFJGVIF-URXFXBBRSA-N 1 1 408.546 3.062 40 0 HGABMO COc1cccc(CC(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)c1 ZINC000096145277 559097218 /nfs/dbraw/zinc/09/72/18/559097218.db2.gz RXVRKMZKUYPCJN-RCZVLFRGSA-N 1 1 421.541 3.189 40 0 HGABMO CC(C)CN1[C@H]2CC[N@H+](Cc3cccnc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145769 559097548 /nfs/dbraw/zinc/09/75/48/559097548.db2.gz SLPNJTNFVWQOML-PMACEKPBSA-N 1 1 415.559 3.154 40 0 HGABMO CC(C)CN1[C@H]2CC[N@@H+](Cc3cccnc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145769 559097549 /nfs/dbraw/zinc/09/75/49/559097549.db2.gz SLPNJTNFVWQOML-PMACEKPBSA-N 1 1 415.559 3.154 40 0 HGABMO C[C@@H](CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)C1)c1ccccc1 ZINC000096225730 559102489 /nfs/dbraw/zinc/10/24/89/559102489.db2.gz FDVNYAVAXFCJSU-XDHUDOTRSA-N 1 1 421.497 3.056 40 0 HGABMO C[C@@H](CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)C1)c1ccccc1 ZINC000096225730 559102490 /nfs/dbraw/zinc/10/24/90/559102490.db2.gz FDVNYAVAXFCJSU-XDHUDOTRSA-N 1 1 421.497 3.056 40 0 HGABMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096245396 559105053 /nfs/dbraw/zinc/10/50/53/559105053.db2.gz AMROHVSSEUFAAR-CALCHBBNSA-N 1 1 410.461 3.458 40 0 HGABMO O=C(NC1CCCC1)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096267363 559108070 /nfs/dbraw/zinc/10/80/70/559108070.db2.gz VADLMPJDVFXWKZ-UHFFFAOYSA-N 1 1 403.530 3.329 40 0 HGABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](CC(=O)NCc3cccc(F)c3)C2)c1 ZINC000585271629 559116343 /nfs/dbraw/zinc/11/63/43/559116343.db2.gz BDUYHEKKRVVDTJ-JOCHJYFZSA-N 1 1 420.912 3.310 40 0 HGABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCc3cccc(F)c3)C2)c1 ZINC000585271629 559116344 /nfs/dbraw/zinc/11/63/44/559116344.db2.gz BDUYHEKKRVVDTJ-JOCHJYFZSA-N 1 1 420.912 3.310 40 0 HGABMO Cc1ccc(Cl)c(OCC2(O)CC[NH+](CC(=O)NCc3cccc(F)c3)CC2)c1 ZINC000585273409 559117456 /nfs/dbraw/zinc/11/74/56/559117456.db2.gz NQPXGUVCOKEXRA-UHFFFAOYSA-N 1 1 420.912 3.310 40 0 HGABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](CC(=O)NCc3ccccc3)C2)c1 ZINC000585274164 559118470 /nfs/dbraw/zinc/11/84/70/559118470.db2.gz TVPWFAWGVLWCRO-JOCHJYFZSA-N 1 1 402.922 3.171 40 0 HGABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCc3ccccc3)C2)c1 ZINC000585274164 559118472 /nfs/dbraw/zinc/11/84/72/559118472.db2.gz TVPWFAWGVLWCRO-JOCHJYFZSA-N 1 1 402.922 3.171 40 0 HGABMO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@H+]2CCCC[C@@H]12 ZINC000103565471 559156414 /nfs/dbraw/zinc/15/64/14/559156414.db2.gz LENMDDFRAPDCRB-PIONYDCHSA-N 1 1 417.634 3.432 40 0 HGABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCCC3)cc2c1 ZINC000004212469 560603771 /nfs/dbraw/zinc/60/37/71/560603771.db2.gz VXEJCCBABJQPSF-IBGZPJMESA-N 1 1 410.522 3.244 40 0 HGABMO O=C(CCN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409414332 560723271 /nfs/dbraw/zinc/72/32/71/560723271.db2.gz KMWOXVJLEQBKSZ-SWXWDQRWSA-N 1 1 419.569 3.454 40 0 HGABMO COc1ccc(S(=O)(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000169677948 560854165 /nfs/dbraw/zinc/85/41/65/560854165.db2.gz OEHFYGYYYQJAMU-JZZBYWGLSA-N 1 1 402.560 3.279 40 0 HGABMO CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006553813 568455624 /nfs/dbraw/zinc/45/56/24/568455624.db2.gz NHZZGNAMAAEEJA-IGKWTDBASA-N 1 1 416.562 3.472 40 0 HGABMO O=C(NCc1nc(-c2cccs2)no1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222600464 568520014 /nfs/dbraw/zinc/52/00/14/568520014.db2.gz IMDVUHVUWVASDA-OAHLLOKOSA-N 1 1 400.479 3.466 40 0 HGABMO COc1cccc(-c2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4C)cc3)n2)c1 ZINC000225299925 568628722 /nfs/dbraw/zinc/62/87/22/568628722.db2.gz YTNVMAXVIRVLRW-UHFFFAOYSA-N 1 1 403.442 3.228 40 0 HGABMO OCc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(NCc4ccccc4)nc23)cc1 ZINC000247945959 568746204 /nfs/dbraw/zinc/74/62/04/568746204.db2.gz QXGYADVRXUGFAP-RUZDIDTESA-N 1 1 416.525 3.255 40 0 HGABMO Cc1[nH+]ccn1CCCC(=O)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257208791 568778787 /nfs/dbraw/zinc/77/87/87/568778787.db2.gz 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O=C1CCC[C@]2(C[N@H+](Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2cccc(F)c2)N1 ZINC000257262797 568793678 /nfs/dbraw/zinc/79/36/78/568793678.db2.gz LMYYZSXLMUSWOM-XUZZJYLKSA-N 1 1 423.536 3.244 40 0 HGABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257270624 568795829 /nfs/dbraw/zinc/79/58/29/568795829.db2.gz MUYXBLNNFDBUIL-DEOSSOPVSA-N 1 1 417.513 3.286 40 0 HGABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(OC)cc3)o2)C1 ZINC000257273615 568796823 /nfs/dbraw/zinc/79/68/23/568796823.db2.gz NHLAQLTUPLZINX-GOSISDBHSA-N 1 1 408.502 3.439 40 0 HGABMO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257324425 568811699 /nfs/dbraw/zinc/81/16/99/568811699.db2.gz WOPXWALAEDJETE-HXUWFJFHSA-N 1 1 420.561 3.188 40 0 HGABMO Cc1cc(C[C@H]2CCC[C@@H]3C[N@@H+](CC(=O)Nc4ccc5c(c4)OCCO5)C[C@@H]32)ncn1 ZINC000257337993 568815363 /nfs/dbraw/zinc/81/53/63/568815363.db2.gz YVIXQZMLABQRHL-DBXWQHBBSA-N 1 1 422.529 3.086 40 0 HGABMO 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C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000040119357 569048109 /nfs/dbraw/zinc/04/81/09/569048109.db2.gz BRNMUYUTPMOACZ-VDWITTOHSA-N 1 1 417.550 3.475 40 0 HGABMO COCCOc1cc(C[N@H+]2C[C@@H]3CC[C@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000247887778 569315717 /nfs/dbraw/zinc/31/57/17/569315717.db2.gz DZLJSQKFHYZXBA-DCLXLUIPSA-N 1 1 412.530 3.153 40 0 HGABMO CC(=O)N[C@@H]1c2ccccc2CC[C@@]12C[N@H+](Cc1ccccc1)C[C@@H]2C(=O)NC(C)C ZINC000247960599 569315933 /nfs/dbraw/zinc/31/59/33/569315933.db2.gz VJMXMHSFPSMDPT-MZKUHISZSA-N 1 1 419.569 3.453 40 0 HGABMO C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC000248130490 569316383 /nfs/dbraw/zinc/31/63/83/569316383.db2.gz MZZPVTJYLKEASI-UTKZUKDTSA-N 1 1 410.493 3.032 40 0 HGABMO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000248341470 569316757 /nfs/dbraw/zinc/31/67/57/569316757.db2.gz ZFGKKZFWXMIMPI-LLBVYWAGSA-N 1 1 418.509 3.391 40 0 HGABMO 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C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000019746106 558266049 /nfs/dbraw/zinc/26/60/49/558266049.db2.gz ONLAIPRKEWJEBS-AWEZNQCLSA-N 1 1 423.439 3.354 40 0 HGABMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000019746106 558266051 /nfs/dbraw/zinc/26/60/51/558266051.db2.gz ONLAIPRKEWJEBS-AWEZNQCLSA-N 1 1 423.439 3.354 40 0 HGABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)nc2C)c1 ZINC000019759004 558275467 /nfs/dbraw/zinc/27/54/67/558275467.db2.gz ZCTKYTHWIYTGLA-HXUWFJFHSA-N 1 1 417.513 3.108 40 0 HGABMO CC(C)NC(=O)c1cc([C@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761241 558276713 /nfs/dbraw/zinc/27/67/13/558276713.db2.gz BGEJTGBFZKJVDJ-SFHVURJKSA-N 1 1 418.545 3.219 40 0 HGABMO O=C(C[N@@H+]1CCC[C@H](c2ncncc2-c2ccncc2)C1)Nc1ccc2c(c1)OCO2 ZINC000012117165 558328839 /nfs/dbraw/zinc/32/88/39/558328839.db2.gz LLFGEXBBKUIBIZ-KRWDZBQOSA-N 1 1 417.469 3.085 40 0 HGABMO O=C(C[N@H+]1CCC[C@H](c2ncncc2-c2ccncc2)C1)Nc1ccc2c(c1)OCO2 ZINC000012117165 558328842 /nfs/dbraw/zinc/32/88/42/558328842.db2.gz LLFGEXBBKUIBIZ-KRWDZBQOSA-N 1 1 417.469 3.085 40 0 HGABMO CCCCNC(=O)C[N@@H+]1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000012121265 558330502 /nfs/dbraw/zinc/33/05/02/558330502.db2.gz BNRCWAUNSXRLFQ-KRWDZBQOSA-N 1 1 410.522 3.097 40 0 HGABMO CCCCNC(=O)C[N@H+]1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000012121265 558330505 /nfs/dbraw/zinc/33/05/05/558330505.db2.gz BNRCWAUNSXRLFQ-KRWDZBQOSA-N 1 1 410.522 3.097 40 0 HGABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 ZINC000012182148 558343101 /nfs/dbraw/zinc/34/31/01/558343101.db2.gz TWMURSCRWCSUNG-NQIIRXRSSA-N 1 1 418.545 3.364 40 0 HGABMO COc1ccc2cnc(C3CC[NH+](CC(=O)[C@H](C)N4CCCC4=O)CC3)cc2c1C ZINC000012188149 558347058 /nfs/dbraw/zinc/34/70/58/558347058.db2.gz AGHDWAJNISEWAJ-KRWDZBQOSA-N 1 1 409.530 3.311 40 0 HGABMO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN([C@@H](c3nccn3C)c3ccccc3)CC2)c1 ZINC000022887312 558518558 /nfs/dbraw/zinc/51/85/58/558518558.db2.gz DRCDWKYEJLYIHM-BJKOFHAPSA-N 1 1 404.558 3.478 40 0 HGABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2Cl)cc1 ZINC000013672496 558562972 /nfs/dbraw/zinc/56/29/72/558562972.db2.gz RVGFHTCIDABVLN-UHFFFAOYSA-N 1 1 409.939 3.131 40 0 HGABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(I)c1 ZINC000029838704 558721980 /nfs/dbraw/zinc/72/19/80/558721980.db2.gz WVSIRIAOLDXYDX-UHFFFAOYSA-N 1 1 420.294 3.469 40 0 HGABMO Cc1ccc([C@@H](NC(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)c2ccncc2)cc1C ZINC000019213518 558849339 /nfs/dbraw/zinc/84/93/39/558849339.db2.gz KLXJHJNOELDXIP-VWNXMTODSA-N 1 1 420.557 3.037 40 0 HGABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)[nH]c(=O)c2C1 ZINC000019238661 558857404 /nfs/dbraw/zinc/85/74/04/558857404.db2.gz KPUFZVQSVZKBBN-HDMKZQKVSA-N 1 1 412.559 3.018 40 0 HGABMO O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)C1 ZINC000019293508 558865325 /nfs/dbraw/zinc/86/53/25/558865325.db2.gz KDUVALPNFJAUQW-QGZVFWFLSA-N 1 1 424.520 3.230 40 0 HGABMO O=C(OC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1)C1CC1 ZINC000019336831 558870086 /nfs/dbraw/zinc/87/00/86/558870086.db2.gz TVNUPIWQUKDKET-MRXNPFEDSA-N 1 1 419.485 3.359 40 0 HGABMO O=C(OC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1)C1CC1 ZINC000019336831 558870088 /nfs/dbraw/zinc/87/00/88/558870088.db2.gz TVNUPIWQUKDKET-MRXNPFEDSA-N 1 1 419.485 3.359 40 0 HGABMO O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019370113 558878181 /nfs/dbraw/zinc/87/81/81/558878181.db2.gz ZWHPRKMKBHVMHC-LJQANCHMSA-N 1 1 420.557 3.019 40 0 HGABMO O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019404888 558884632 /nfs/dbraw/zinc/88/46/32/558884632.db2.gz NYGXBHRAVJODGZ-NRFANRHFSA-N 1 1 421.545 3.223 40 0 HGABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)N[C@H](C)CCc4ccco4)ccc3c(=O)n2CC1 ZINC000019448613 558887478 /nfs/dbraw/zinc/88/74/78/558887478.db2.gz FAKAMZCWEIAKTG-QGZVFWFLSA-N 1 1 422.529 3.007 40 0 HGABMO CC(=O)N[C@H]1c2ccccc2CC[C@@]12C[N@H+](Cc1ccccc1)C[C@H]2C(=O)NC(C)C ZINC000019449786 558888430 /nfs/dbraw/zinc/88/84/30/558888430.db2.gz VJMXMHSFPSMDPT-GNKBHMEESA-N 1 1 419.569 3.453 40 0 HGABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)CC1 ZINC000019496004 558895011 /nfs/dbraw/zinc/89/50/11/558895011.db2.gz RUAJNDJQTKWXQR-MYKUNDNFSA-N 1 1 421.545 3.491 40 0 HGABMO CC[C@@H](C)C(=O)N1CCc2cc([C@H](O)C[N@H+]3CCCN(c4ccccn4)CC3)ccc21 ZINC000019499896 558898055 /nfs/dbraw/zinc/89/80/55/558898055.db2.gz ZJHLLYIYFSJPRX-AUSIDOKSSA-N 1 1 422.573 3.263 40 0 HGABMO CCc1nc(N2CCN(C(=O)c3sc(-c4cccnc4)nc3C)CC2)cc(C)[nH+]1 ZINC000019523137 558904088 /nfs/dbraw/zinc/90/40/88/558904088.db2.gz IQWNCVIBMGZGAV-UHFFFAOYSA-N 1 1 408.531 3.137 40 0 HGABMO CCOCc1cc(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531107 558911625 /nfs/dbraw/zinc/91/16/25/558911625.db2.gz ADYSSLTVPLTNMX-IBGZPJMESA-N 1 1 420.513 3.367 40 0 HGABMO CCOCc1cc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531105 558911672 /nfs/dbraw/zinc/91/16/72/558911672.db2.gz ADYSSLTVPLTNMX-LJQANCHMSA-N 1 1 420.513 3.367 40 0 HGABMO CCOc1cc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)ccc1OC ZINC000019531922 558912191 /nfs/dbraw/zinc/91/21/91/558912191.db2.gz JXUYLRWETJXQMT-GOSISDBHSA-N 1 1 406.486 3.229 40 0 HGABMO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)no2)cc1 ZINC000019555857 558918561 /nfs/dbraw/zinc/91/85/61/558918561.db2.gz RDXIYCLXKYEEDO-LJQANCHMSA-N 1 1 406.486 3.388 40 0 HGABMO C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000019587617 558939913 /nfs/dbraw/zinc/93/99/13/558939913.db2.gz IBLPGNRRSLZDQO-WIYYLYMNSA-N 1 1 410.493 3.032 40 0 HGABMO COc1cc(CN2CCC3(CC2)Nc2ccccc2C2=[NH+]CCCN23)cc2c1OCO2 ZINC000072342673 558940582 /nfs/dbraw/zinc/94/05/82/558940582.db2.gz RWJSBBSMWPEOIS-UHFFFAOYSA-N 1 1 420.513 3.294 40 0 HGABMO Nc1nc(C(F)(F)F)nn1CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000019654506 558947787 /nfs/dbraw/zinc/94/77/87/558947787.db2.gz FOXHKGHBDDZGTI-UHFFFAOYSA-N 1 1 416.407 3.034 40 0 HGABMO Nc1nc(C(F)(F)F)nn1CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000019654506 558947789 /nfs/dbraw/zinc/94/77/89/558947789.db2.gz FOXHKGHBDDZGTI-UHFFFAOYSA-N 1 1 416.407 3.034 40 0 HGABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)cc1 ZINC000019690954 558960508 /nfs/dbraw/zinc/96/05/08/558960508.db2.gz LFTKZJGGIDWQOK-NRFANRHFSA-N 1 1 418.501 3.213 40 0 HGABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)cc1 ZINC000019690954 558960509 /nfs/dbraw/zinc/96/05/09/558960509.db2.gz LFTKZJGGIDWQOK-NRFANRHFSA-N 1 1 418.501 3.213 40 0 HGABMO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)C1 ZINC000072374409 558961902 /nfs/dbraw/zinc/96/19/02/558961902.db2.gz FGIQTAOUFKWNKU-GOSISDBHSA-N 1 1 412.578 3.049 40 0 HGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694673 558963291 /nfs/dbraw/zinc/96/32/91/558963291.db2.gz GNDNBASDGTZEEG-GOSISDBHSA-N 1 1 413.541 3.397 40 0 HGABMO COCC[N@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1c(OC)cccc1OC ZINC000072376818 558966172 /nfs/dbraw/zinc/96/61/72/558966172.db2.gz ANHPSJZZHLKHRT-QGZVFWFLSA-N 1 1 400.523 3.400 40 0 HGABMO Cc1nc(C2CCN(C(=O)[C@H]3CC[N@H+]3C3CCCCC3)CC2)nc2c1CCCN2C ZINC000019706685 558968927 /nfs/dbraw/zinc/96/89/27/558968927.db2.gz VLKZHFSOKSILDI-OAQYLSRUSA-N 1 1 411.594 3.280 40 0 HGABMO Cc1nc([C@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)nc2c1CCCN2CC1CC1 ZINC000019707023 558969297 /nfs/dbraw/zinc/96/92/97/558969297.db2.gz DQKSTTYYGOYJQP-FQEVSTJZSA-N 1 1 411.594 3.140 40 0 HGABMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)nc2c1CCCN2CC1CC1 ZINC000019707023 558969299 /nfs/dbraw/zinc/96/92/99/558969299.db2.gz DQKSTTYYGOYJQP-FQEVSTJZSA-N 1 1 411.594 3.140 40 0 HGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(OC)cc4)C[C@H]32)c(OCC)n1 ZINC000072392644 558972390 /nfs/dbraw/zinc/97/23/90/558972390.db2.gz NUETZNRVWHJNHC-XTQVGHSUSA-N 1 1 413.518 3.012 40 0 HGABMO Cc1nn(C)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019716002 558977526 /nfs/dbraw/zinc/97/75/26/558977526.db2.gz GWLAPOYRETUPDP-MRXNPFEDSA-N 1 1 412.513 3.336 40 0 HGABMO Cc1nn(C)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019716002 558977528 /nfs/dbraw/zinc/97/75/28/558977528.db2.gz GWLAPOYRETUPDP-MRXNPFEDSA-N 1 1 412.513 3.336 40 0 HGABMO Cc1nn(C)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019716002 558977530 /nfs/dbraw/zinc/97/75/30/558977530.db2.gz GWLAPOYRETUPDP-MRXNPFEDSA-N 1 1 412.513 3.336 40 0 HGABMO CN(C)C(=O)C[N@H+]1CCC[C@@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 ZINC000585100773 559025430 /nfs/dbraw/zinc/02/54/30/559025430.db2.gz WCMFSOKUSAMFIC-XMMPIXPASA-N 1 1 409.530 3.094 40 0 HGABMO C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C1 ZINC000585104254 559026917 /nfs/dbraw/zinc/02/69/17/559026917.db2.gz OSIPRLPMLDMORB-TZIWHRDSSA-N 1 1 406.592 3.119 40 0 HGABMO C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C1 ZINC000585104468 559027026 /nfs/dbraw/zinc/02/70/26/559027026.db2.gz OZZNCBPKNORVDN-NFBKMPQASA-N 1 1 413.606 3.425 40 0 HGABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@H+](C)Cc4cccnc4)C3)CC2)c1 ZINC000585104792 559027269 /nfs/dbraw/zinc/02/72/69/559027269.db2.gz SPNGSOSXQJXAFG-HXUWFJFHSA-N 1 1 409.530 3.239 40 0 HGABMO COc1ccc(C(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)cc1 ZINC000096145272 559097252 /nfs/dbraw/zinc/09/72/52/559097252.db2.gz MCKGKTOIUPVURY-ZJSXRUAMSA-N 1 1 407.514 3.260 40 0 HGABMO Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5cccnc5)C4)n3c2)cn1 ZINC000096156208 559100341 /nfs/dbraw/zinc/10/03/41/559100341.db2.gz FGVQNDOLAGJXMY-SFHVURJKSA-N 1 1 413.485 3.070 40 0 HGABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)C4CCCC4)CC3)c3ccccc32)CC1 ZINC000096242273 559103991 /nfs/dbraw/zinc/10/39/91/559103991.db2.gz GTYRKPOKFJSKFM-OAQYLSRUSA-N 1 1 423.601 3.388 40 0 HGABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@H+](Cc3cccnc3)C2)N1Cc1ccccc1 ZINC000096261913 559106154 /nfs/dbraw/zinc/10/61/54/559106154.db2.gz KOXWRZSHAHTHOC-QHCPKHFHSA-N 1 1 405.523 3.387 40 0 HGABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](Cc3cccnc3)C2)N1Cc1ccccc1 ZINC000096261913 559106156 /nfs/dbraw/zinc/10/61/56/559106156.db2.gz KOXWRZSHAHTHOC-QHCPKHFHSA-N 1 1 405.523 3.387 40 0 HGABMO COCCOc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C)cc2C)ccc1OC ZINC000585262495 559111040 /nfs/dbraw/zinc/11/10/40/559111040.db2.gz FTDJUZXEDTZFLE-HXUWFJFHSA-N 1 1 403.519 3.209 40 0 HGABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585271520 559115858 /nfs/dbraw/zinc/11/58/58/559115858.db2.gz AIMJEYQEHINWBN-XMMPIXPASA-N 1 1 407.514 3.368 40 0 HGABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2OCC)cc1 ZINC000585269791 559116097 /nfs/dbraw/zinc/11/60/97/559116097.db2.gz JMLQAHPVHMBPIH-HXUWFJFHSA-N 1 1 403.519 3.372 40 0 HGABMO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000585274052 559118458 /nfs/dbraw/zinc/11/84/58/559118458.db2.gz ZQRGGEBDHUFRAU-QFIPXVFZSA-N 1 1 413.905 3.347 40 0 HGABMO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000585274052 559118460 /nfs/dbraw/zinc/11/84/60/559118460.db2.gz ZQRGGEBDHUFRAU-QFIPXVFZSA-N 1 1 413.905 3.347 40 0 HGABMO CC(C)[N@@H+](Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286104 559121803 /nfs/dbraw/zinc/12/18/03/559121803.db2.gz VTIAUCUAIJPLMU-GMAHTHKFSA-N 1 1 416.949 3.189 40 0 HGABMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000072219635 559169796 /nfs/dbraw/zinc/16/97/96/559169796.db2.gz JDZCFZAVTSECIJ-FQEVSTJZSA-N 1 1 401.532 3.061 40 0 HGABMO Cn1ccc2cc(C(=O)N3CC4(C3)C[C@H](COCc3cccnc3)CC[N@H+]4C)ccc21 ZINC000575404297 560547101 /nfs/dbraw/zinc/54/71/01/560547101.db2.gz ROSILEHFFPKKDM-LJQANCHMSA-N 1 1 418.541 3.327 40 0 HGABMO Cn1c(CN2CCSCC2)cc(=O)c(O)c1C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000095479253 560558289 /nfs/dbraw/zinc/55/82/89/560558289.db2.gz PCEHZJKJJZXXTI-VGOFRKELSA-N 1 1 405.608 3.040 40 0 HGABMO NC(=O)C1CC[NH+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)CCC5)cc2)CC1 ZINC000013563491 560816304 /nfs/dbraw/zinc/81/63/04/560816304.db2.gz DWILANSXFKGATN-UHFFFAOYSA-N 1 1 416.525 3.331 40 0 HGABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2Cl)CC1 ZINC000017087572 560862644 /nfs/dbraw/zinc/86/26/44/560862644.db2.gz XKRQTPHTWVSPQW-UHFFFAOYSA-N 1 1 406.914 3.358 40 0 HGABMO COc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000017091729 560866347 /nfs/dbraw/zinc/86/63/47/560866347.db2.gz VMPZRGGWDZGUBB-UHFFFAOYSA-N 1 1 418.950 3.227 40 0 HGABMO O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000017357782 560868956 /nfs/dbraw/zinc/86/89/56/560868956.db2.gz JKWABTUFIBPTMA-UHFFFAOYSA-N 1 1 409.505 3.022 40 0 HGABMO CN(C)c1ncc2c(n1)[C@]1(CC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C1)COC2 ZINC000248088105 568747354 /nfs/dbraw/zinc/74/73/54/568747354.db2.gz DWDGASWCAMRNEP-DEOSSOPVSA-N 1 1 419.504 3.418 40 0 HGABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257270625 568795809 /nfs/dbraw/zinc/79/58/09/568795809.db2.gz MUYXBLNNFDBUIL-XMMPIXPASA-N 1 1 417.513 3.286 40 0 HGABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3nc(C)c(C)s3)n2)CC1 ZINC000257284071 568799567 /nfs/dbraw/zinc/79/95/67/568799567.db2.gz PBDMVEGLSJRADU-AWEZNQCLSA-N 1 1 417.579 3.229 40 0 HGABMO O=C(NCCn1nc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c2cccnc21)C1CC1 ZINC000257296283 568803361 /nfs/dbraw/zinc/80/33/61/568803361.db2.gz RCBGQMXKHKOPFI-LJQANCHMSA-N 1 1 421.520 3.476 40 0 HGABMO CC1=CC(C)(C)N(C(=O)C[N@H+]2CCC[C@@](C(N)=O)(c3ccccn3)C2)c2ccccc21 ZINC000257303163 568805422 /nfs/dbraw/zinc/80/54/22/568805422.db2.gz SGAGPXJHAIVEIP-VWLOTQADSA-N 1 1 418.541 3.129 40 0 HGABMO Cc1cc(CN2CCC[C@@]3(C[N@H+](CCc4ccccc4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306124568 568887683 /nfs/dbraw/zinc/88/76/83/568887683.db2.gz BTRCRLOXUQDVGW-JOCHJYFZSA-N 1 1 416.516 3.421 40 0 HGABMO Cc1cc(CN2CCC[C@@]3(C[N@@H+](CCc4ccccc4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306124568 568887684 /nfs/dbraw/zinc/88/76/84/568887684.db2.gz BTRCRLOXUQDVGW-JOCHJYFZSA-N 1 1 416.516 3.421 40 0 HGABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccccc3F)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125424 568888105 /nfs/dbraw/zinc/88/81/05/568888105.db2.gz CQOCNVNBAKUORS-AUSIDOKSSA-N 1 1 414.525 3.068 40 0 HGABMO COc1ccccc1C[N@@H+]1CCN(C)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306126310 568889119 /nfs/dbraw/zinc/88/91/19/568889119.db2.gz DSHPGEDSSQSENQ-OAQYLSRUSA-N 1 1 405.546 3.432 40 0 HGABMO COc1ccccc1C[N@H+]1CCN(C)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306126310 568889122 /nfs/dbraw/zinc/88/91/22/568889122.db2.gz DSHPGEDSSQSENQ-OAQYLSRUSA-N 1 1 405.546 3.432 40 0 HGABMO O=C1N(Cc2ccc(F)cc2)CCO[C@@]12C[N@@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306127038 568889790 /nfs/dbraw/zinc/88/97/90/568889790.db2.gz FMEVUBULSOEPEA-LADGPHEKSA-N 1 1 421.472 3.211 40 0 HGABMO CCn1cc(C[N@@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306127832 568890801 /nfs/dbraw/zinc/89/08/01/568890801.db2.gz GIRPJJAQRNTLQU-QFIPXVFZSA-N 1 1 401.518 3.101 40 0 HGABMO CCn1cc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306127832 568890803 /nfs/dbraw/zinc/89/08/03/568890803.db2.gz GIRPJJAQRNTLQU-QFIPXVFZSA-N 1 1 401.518 3.101 40 0 HGABMO COc1ncccc1C[N@H+]1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136338 568898135 /nfs/dbraw/zinc/89/81/35/568898135.db2.gz PQIVDAGKHXRGNV-YKSBVNFPSA-N 1 1 423.561 3.096 40 0 HGABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306136572 568898395 /nfs/dbraw/zinc/89/83/95/568898395.db2.gz PXHLWRKVAIHQRS-IAGOWNOFSA-N 1 1 407.905 3.488 40 0 HGABMO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000306137087 568899002 /nfs/dbraw/zinc/89/90/02/568899002.db2.gz QLGFBIAQLNRSEE-QFIPXVFZSA-N 1 1 408.527 3.231 40 0 HGABMO Cc1cc(C)cc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)c1 ZINC000306137871 568899844 /nfs/dbraw/zinc/89/98/44/568899844.db2.gz RIQFGQJTOMTHKH-FGZHOGPDSA-N 1 1 415.541 3.129 40 0 HGABMO C[N@@H+]1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306138655 568900669 /nfs/dbraw/zinc/90/06/69/568900669.db2.gz SDQLWUHQFHIJID-MRXNPFEDSA-N 1 1 408.477 3.317 40 0 HGABMO C[N@H+]1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306138655 568900670 /nfs/dbraw/zinc/90/06/70/568900670.db2.gz SDQLWUHQFHIJID-MRXNPFEDSA-N 1 1 408.477 3.317 40 0 HGABMO Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CC[NH+](Cc4ccsc4)CC3)O2)cc1 ZINC000306140267 568902100 /nfs/dbraw/zinc/90/21/00/568902100.db2.gz UOOSANJXGHRVCO-NRFANRHFSA-N 1 1 413.587 3.038 40 0 HGABMO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCC[C@H]3NC(=O)c3cnc(C)cn3)C2)s1 ZINC000306140207 568902133 /nfs/dbraw/zinc/90/21/33/568902133.db2.gz UMYKQTRSKAHTMK-TZIWHRDSSA-N 1 1 400.548 3.099 40 0 HGABMO Cc1ccc(C[N@H+]2CCO[C@]3(CCCC[C@H]3NC(=O)c3cnc(C)cn3)C2)s1 ZINC000306140207 568902136 /nfs/dbraw/zinc/90/21/36/568902136.db2.gz UMYKQTRSKAHTMK-TZIWHRDSSA-N 1 1 400.548 3.099 40 0 HGABMO 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ZINC000072352441 558948715 /nfs/dbraw/zinc/94/87/15/558948715.db2.gz QIPQTSRHQAKKKB-INIZCTEOSA-N 1 1 422.554 3.104 40 0 HGABMO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000019687484 558957326 /nfs/dbraw/zinc/95/73/26/558957326.db2.gz CITUYJCQHMNXLW-SFHVURJKSA-N 1 1 411.525 3.151 40 0 HGABMO CC(=O)N1CCc2c(nc([C@H]3CCC[N@H+](C)C3)nc2NCCc2cccc(C)c2)C1 ZINC000072373392 558961090 /nfs/dbraw/zinc/96/10/90/558961090.db2.gz HABRQNJFNUTJER-FQEVSTJZSA-N 1 1 407.562 3.153 40 0 HGABMO CNC(=O)c1ccc(-c2ccc(CNC(=O)CC[N@H+]3CCCC[C@@H]3C)cc2)nc1C ZINC000019700569 558966864 /nfs/dbraw/zinc/96/68/64/558966864.db2.gz XPNNHKXBIBMHFG-KRWDZBQOSA-N 1 1 408.546 3.297 40 0 HGABMO CCN(CC)c1ncc(C[N@H+]2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)s1 ZINC000019705897 558968276 /nfs/dbraw/zinc/96/82/76/558968276.db2.gz IIDQZJYVLNMLHS-KRWDZBQOSA-N 1 1 401.580 3.466 40 0 HGABMO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](Cc3c(C)nc4ccccn43)C[C@@H]12 ZINC000072395827 558974718 /nfs/dbraw/zinc/97/47/18/558974718.db2.gz CYBPOZDJMLQDTB-YKSBVNFPSA-N 1 1 402.498 3.192 40 0 HGABMO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](Cc3c(C)nc4ccccn43)C[C@@H]12 ZINC000072395827 558974720 /nfs/dbraw/zinc/97/47/20/558974720.db2.gz CYBPOZDJMLQDTB-YKSBVNFPSA-N 1 1 402.498 3.192 40 0 HGABMO Cc1c(-c2cc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)c3ccccc3n2)cnn1C ZINC000019716485 558978502 /nfs/dbraw/zinc/97/85/02/558978502.db2.gz ZGLIAIBOSXAJRB-HSZRJFAPSA-N 1 1 421.545 3.030 40 0 HGABMO O=C(CN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)CCC3)CC2)N1CCCC1 ZINC000585100763 559023893 /nfs/dbraw/zinc/02/38/93/559023893.db2.gz VSNGHWDNTFUBME-VWLOTQADSA-N 1 1 409.574 3.145 40 0 HGABMO COc1ccc([C@H]2C[N@@H+](CC3(O)CCN(c4cccc(F)c4)CC3)CCN2C)cc1 ZINC000585183494 559070278 /nfs/dbraw/zinc/07/02/78/559070278.db2.gz GXNUALNKFVYZAO-HSZRJFAPSA-N 1 1 413.537 3.154 40 0 HGABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1cccs1)C2 ZINC000096036252 559089831 /nfs/dbraw/zinc/08/98/31/559089831.db2.gz YPAYTBREPRNEJW-QFIPXVFZSA-N 1 1 412.559 3.336 40 0 HGABMO O=C(c1ccccn1)N1Cc2ccccc2C2(CC[NH+](CCN3CCCC3)CC2)C1 ZINC000096079603 559094748 /nfs/dbraw/zinc/09/47/48/559094748.db2.gz NREXDNVZWWNFBQ-UHFFFAOYSA-N 1 1 404.558 3.167 40 0 HGABMO CC(C)C[N@H+]1CC2(CCN(C(=O)Nc3cccc(F)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144220 559096505 /nfs/dbraw/zinc/09/65/05/559096505.db2.gz JHPVBYJHSZIGCO-QHCPKHFHSA-N 1 1 416.541 3.260 40 0 HGABMO Cc1ccc(NC(=O)N2CCC3(C[N@H+](CC(C)C)C[C@@]34CCN(C)C4=O)CC2)cc1 ZINC000096144215 559096545 /nfs/dbraw/zinc/09/65/45/559096545.db2.gz JXFYELINCHREOO-XMMPIXPASA-N 1 1 412.578 3.429 40 0 HGABMO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000096216040 559101924 /nfs/dbraw/zinc/10/19/24/559101924.db2.gz IPNUHFHEZQWMNE-NRFANRHFSA-N 1 1 403.548 3.277 40 0 HGABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000096216040 559101926 /nfs/dbraw/zinc/10/19/26/559101926.db2.gz IPNUHFHEZQWMNE-NRFANRHFSA-N 1 1 403.548 3.277 40 0 HGABMO Cc1ccc(CS(=O)(=O)N2CCc3c(C[NH+]4CCCC4)nn(C(C)C)c3C2)cc1 ZINC000096255951 559105941 /nfs/dbraw/zinc/10/59/41/559105941.db2.gz FXEOFBBMIHDNCJ-UHFFFAOYSA-N 1 1 416.591 3.256 40 0 HGABMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000585271363 559116764 /nfs/dbraw/zinc/11/67/64/559116764.db2.gz XFXSDAAPODCDQU-DEOSSOPVSA-N 1 1 404.514 3.129 40 0 HGABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000585272279 559117899 /nfs/dbraw/zinc/11/78/99/559117899.db2.gz HKRXKUCLMRRRRC-QHCPKHFHSA-N 1 1 400.494 3.046 40 0 HGABMO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000585272263 559118032 /nfs/dbraw/zinc/11/80/32/559118032.db2.gz MQNHLCSXEOJGBT-JOCHJYFZSA-N 1 1 413.905 3.347 40 0 HGABMO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000585272263 559118034 /nfs/dbraw/zinc/11/80/34/559118034.db2.gz MQNHLCSXEOJGBT-JOCHJYFZSA-N 1 1 413.905 3.347 40 0 HGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CCC[C@@H]3[C@H]2CCCCN3S(C)(=O)=O)CC1 ZINC000585282106 559119906 /nfs/dbraw/zinc/11/99/06/559119906.db2.gz AMENWOCPXICAQP-XCJLJZCSSA-N 1 1 400.629 3.232 40 0 HGABMO O[C@@]1(C[N@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585288062 559123125 /nfs/dbraw/zinc/12/31/25/559123125.db2.gz VGERBERSWOBOID-PZUNEJSGSA-N 1 1 411.542 3.218 40 0 HGABMO C[NH+]1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069750 559272744 /nfs/dbraw/zinc/27/27/44/559272744.db2.gz XDQAOYDICZGYIY-NRFANRHFSA-N 1 1 406.611 3.404 40 0 HGABMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257200445 559282359 /nfs/dbraw/zinc/28/23/59/559282359.db2.gz ADJHPNMTZBMAQS-DEOSSOPVSA-N 1 1 422.504 3.268 40 0 HGABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21 ZINC000514288906 560034011 /nfs/dbraw/zinc/03/40/11/560034011.db2.gz DAZVYIXJUVUAMF-IRLDBZIGSA-N 1 1 414.452 3.328 40 0 biogenic,in-vitro HGABMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 ZINC000035424577 560081162 /nfs/dbraw/zinc/08/11/62/560081162.db2.gz QCILVCJZIMVCMY-FQEVSTJZSA-N 1 1 421.501 3.314 40 0 biogenic,in-vitro HGABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 ZINC000035424577 560081163 /nfs/dbraw/zinc/08/11/63/560081163.db2.gz QCILVCJZIMVCMY-FQEVSTJZSA-N 1 1 421.501 3.314 40 0 biogenic,in-vitro HGABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000408857204 560647427 /nfs/dbraw/zinc/64/74/27/560647427.db2.gz FIDVKIROLCFOFR-UHFFFAOYSA-N 1 1 416.525 3.342 40 0 HGABMO O=C(CCN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000409414330 560723286 /nfs/dbraw/zinc/72/32/86/560723286.db2.gz KMWOXVJLEQBKSZ-RLOMUNTMSA-N 1 1 419.569 3.454 40 0 HGABMO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000409415192 560723437 /nfs/dbraw/zinc/72/34/37/560723437.db2.gz WJXXWLHUWHORMV-ZFJRXVOLSA-N 1 1 423.557 3.050 40 0 HGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000010544215 560770382 /nfs/dbraw/zinc/77/03/82/560770382.db2.gz VVYDIVOSYNQNDI-AWEZNQCLSA-N 1 1 419.385 3.391 40 0 HGABMO Clc1cc2c(cc1CN(CCC[NH+]1CCOCC1)Cc1cccnc1)OCO2 ZINC000013569050 560814243 /nfs/dbraw/zinc/81/42/43/560814243.db2.gz MNDAUMCWCKALDO-UHFFFAOYSA-N 1 1 403.910 3.188 40 0 HGABMO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000017091727 560866325 /nfs/dbraw/zinc/86/63/25/560866325.db2.gz JJOBEMXFMPHFHT-UHFFFAOYSA-N 1 1 418.950 3.227 40 0 HGABMO O=C(NCCCN1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000219416766 568491593 /nfs/dbraw/zinc/49/15/93/568491593.db2.gz PZUKWPHRSOUVPU-UHFFFAOYSA-N 1 1 414.377 3.044 40 0 HGABMO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000223865680 568561271 /nfs/dbraw/zinc/56/12/71/568561271.db2.gz OFSBCKPVEQTXBN-UHFFFAOYSA-N 1 1 419.890 3.099 40 0 HGABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(C)C ZINC000224742393 568594731 /nfs/dbraw/zinc/59/47/31/568594731.db2.gz OEJPOALJFCMBSC-UHFFFAOYSA-N 1 1 418.559 3.129 40 0 HGABMO COc1ccc(NC(=O)C[NH+]2CCC(c3cccc(Nc4ncccn4)n3)CC2)cc1 ZINC000257218511 568781447 /nfs/dbraw/zinc/78/14/47/568781447.db2.gz DDJVYQPMPXFWAU-UHFFFAOYSA-N 1 1 418.501 3.442 40 0 HGABMO CCN(C(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1)c1cccc(C)c1 ZINC000257269805 568795618 /nfs/dbraw/zinc/79/56/18/568795618.db2.gz MRKUZCBIEAIERW-GMAHTHKFSA-N 1 1 400.494 3.391 40 0 HGABMO CCN(C(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1)c1cccc(C)c1 ZINC000257269805 568795619 /nfs/dbraw/zinc/79/56/19/568795619.db2.gz MRKUZCBIEAIERW-GMAHTHKFSA-N 1 1 400.494 3.391 40 0 HGABMO CCc1ccc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 ZINC000257297682 568803831 /nfs/dbraw/zinc/80/38/31/568803831.db2.gz RILYKCJFIDUNPH-QFIPXVFZSA-N 1 1 402.922 3.428 40 0 HGABMO CCc1ccc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 ZINC000257297682 568803833 /nfs/dbraw/zinc/80/38/33/568803833.db2.gz RILYKCJFIDUNPH-QFIPXVFZSA-N 1 1 402.922 3.428 40 0 HGABMO c1cn2nc(C[C@H]3COCC[N@@H+](Cc4ccccc4N4CCCCC4)C3)ccc2n1 ZINC000257298875 568804230 /nfs/dbraw/zinc/80/42/30/568804230.db2.gz RNPOFLFCOLWVJO-HXUWFJFHSA-N 1 1 405.546 3.411 40 0 HGABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257306157 568806348 /nfs/dbraw/zinc/80/63/48/568806348.db2.gz STDWTPHEJZLHFQ-OAQYLSRUSA-N 1 1 407.562 3.423 40 0 HGABMO COc1cccc2c1OC1(CCN(C(=O)Cn3cc[nH+]c3C)CC1)[C@H]1CCCO[C@H]21 ZINC000257310632 568807453 /nfs/dbraw/zinc/80/74/53/568807453.db2.gz UFXUXFGCZUUGDY-GHTZIAJQSA-N 1 1 411.502 3.122 40 0 HGABMO Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)N3CCC(C)CC3)CC2)[nH+]1 ZINC000257320588 568810646 /nfs/dbraw/zinc/81/06/46/568810646.db2.gz VXLSECWUBBZRKM-UHFFFAOYSA-N 1 1 408.550 3.362 40 0 HGABMO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000257326384 568812163 /nfs/dbraw/zinc/81/21/63/568812163.db2.gz WXANEQHBHKZHCL-OQLXKQOESA-N 1 1 401.526 3.038 40 0 HGABMO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000257326384 568812164 /nfs/dbraw/zinc/81/21/64/568812164.db2.gz WXANEQHBHKZHCL-OQLXKQOESA-N 1 1 401.526 3.038 40 0 HGABMO COCCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@@H]2Cc1ccccc1 ZINC000257340946 568816274 /nfs/dbraw/zinc/81/62/74/568816274.db2.gz ZIFWHRSSGDHMOQ-CFKFVRPNSA-N 1 1 400.563 3.125 40 0 HGABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccccc3F)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125426 568888148 /nfs/dbraw/zinc/88/81/48/568888148.db2.gz CQOCNVNBAKUORS-WMZHIEFXSA-N 1 1 414.525 3.068 40 0 HGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126029 568888604 /nfs/dbraw/zinc/88/86/04/568888604.db2.gz DKBHTDLNPCYXGE-DHLKQENFSA-N 1 1 422.573 3.461 40 0 HGABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccc(C)c4)C[C@@H]2C3)cc1 ZINC000306128028 568890659 /nfs/dbraw/zinc/89/06/59/568890659.db2.gz GOFMJAADXKARMN-OALUTQOASA-N 1 1 417.513 3.152 40 0 HGABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@H](COCc1cccnc1)CC[N@@H+]2C ZINC000306135649 568897439 /nfs/dbraw/zinc/89/74/39/568897439.db2.gz OWUOZSKPZQWDAK-GOSISDBHSA-N 1 1 412.534 3.084 40 0 HGABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@H](COCc1cccnc1)CC[N@H+]2C ZINC000306135649 568897440 /nfs/dbraw/zinc/89/74/40/568897440.db2.gz OWUOZSKPZQWDAK-GOSISDBHSA-N 1 1 412.534 3.084 40 0 HGABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@@H](COCc1cccnc1)CC[N@@H+]2C ZINC000306135650 568897576 /nfs/dbraw/zinc/89/75/76/568897576.db2.gz OWUOZSKPZQWDAK-SFHVURJKSA-N 1 1 412.534 3.084 40 0 HGABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@@H](COCc1cccnc1)CC[N@H+]2C ZINC000306135650 568897578 /nfs/dbraw/zinc/89/75/78/568897578.db2.gz OWUOZSKPZQWDAK-SFHVURJKSA-N 1 1 412.534 3.084 40 0 HGABMO COc1ncccc1C[N@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136337 568898223 /nfs/dbraw/zinc/89/82/23/568898223.db2.gz PQIVDAGKHXRGNV-RDPSFJRHSA-N 1 1 423.561 3.096 40 0 HGABMO COc1cccc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306137562 568899404 /nfs/dbraw/zinc/89/94/04/568899404.db2.gz QZXGLYSXACKIHK-QFIPXVFZSA-N 1 1 405.546 3.432 40 0 HGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1cccs1 ZINC000306142178 568903654 /nfs/dbraw/zinc/90/36/54/568903654.db2.gz WSCAPGRWBMQPAT-OALUTQOASA-N 1 1 407.495 3.360 40 0 HGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1cccs1 ZINC000306142178 568903657 /nfs/dbraw/zinc/90/36/57/568903657.db2.gz WSCAPGRWBMQPAT-OALUTQOASA-N 1 1 407.495 3.360 40 0 HGABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142363 568904060 /nfs/dbraw/zinc/90/40/60/568904060.db2.gz WXCGURHISQFEKK-LADGPHEKSA-N 1 1 403.482 3.072 40 0 HGABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306142365 568904063 /nfs/dbraw/zinc/90/40/63/568904063.db2.gz WXCGURHISQFEKK-VWNXMTODSA-N 1 1 403.482 3.072 40 0 HGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242543314 568963786 /nfs/dbraw/zinc/96/37/86/568963786.db2.gz JWRTZKAFAOVYFU-KSZLIROESA-N 1 1 410.333 3.123 40 0 HGABMO C[NH+](C)CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329040728 568974198 /nfs/dbraw/zinc/97/41/98/568974198.db2.gz SECVXCWVYDZPHH-UHFFFAOYSA-N 1 1 419.316 3.112 40 0 HGABMO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3ncncc3-c3noc(C)n3)C2)c(C)c1C ZINC000019693771 569346570 /nfs/dbraw/zinc/34/65/70/569346570.db2.gz KCBKNPAABVOBPD-FQEVSTJZSA-N 1 1 409.490 3.342 40 0 HGABMO COc1cc(C)c(C[N@H+]2CCO[C@H](c3ncncc3-c3noc(C)n3)C2)c(C)c1C ZINC000019693771 569346571 /nfs/dbraw/zinc/34/65/71/569346571.db2.gz KCBKNPAABVOBPD-FQEVSTJZSA-N 1 1 409.490 3.342 40 0 HGABMO Cc1nn2c(nccc2[C@H]2CN(C(=O)CC3CCCC3)CCO2)c1Cn1cc[nH+]c1C ZINC000019707808 569348064 /nfs/dbraw/zinc/34/80/64/569348064.db2.gz KDBXKBDHDQLZER-OAQYLSRUSA-N 1 1 422.533 3.071 40 0 HGABMO CC(=O)N1CCC[C@@H]1c1nc(C[N@@H+](C)Cc2cccc3ncccc23)cc(N(C)C)n1 ZINC000019760324 569348864 /nfs/dbraw/zinc/34/88/64/569348864.db2.gz BHORSUBFJPSUIG-JOCHJYFZSA-N 1 1 418.545 3.406 40 0 HGABMO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccccc21 ZINC000018058400 569383533 /nfs/dbraw/zinc/38/35/33/569383533.db2.gz QYKFPSKFNDXJHN-CROMWVBPSA-N 1 1 421.884 3.080 40 0 HGABMO C[C@@H](CO)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C2CC2)[nH+]1 ZINC000328959417 571310387 /nfs/dbraw/zinc/31/03/87/571310387.db2.gz ATYXXWUYBHDJJX-LBPRGKRZSA-N 1 1 408.424 3.608 40 0 HGABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)Nc5ccccc5)c43)C2)CC1 ZINC000015672363 291235659 /nfs/dbraw/zinc/23/56/59/291235659.db2.gz VYTMDTWXUKNGLC-ZWKOTPCHSA-N 1 1 421.545 3.006 40 0 biogenic,in-vitro HGABMO C[NH+]1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)Nc4ccccc4)c23)CC1 ZINC000015672363 291235660 /nfs/dbraw/zinc/23/56/60/291235660.db2.gz VYTMDTWXUKNGLC-ZWKOTPCHSA-N 1 1 421.545 3.006 40 0 biogenic,in-vitro HGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000020048389 558328061 /nfs/dbraw/zinc/32/80/61/558328061.db2.gz OGEGGCUQFAVZSY-OAHLLOKOSA-N 1 1 401.960 3.096 40 0 HGABMO Cc1cc2nc([C@@H]3CCC[N@H+](C[C@@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 ZINC000012185926 558345243 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1 1 410.562 3.053 40 0 HGABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)no1)N1CCC(O)CC1 ZINC000019347015 558873658 /nfs/dbraw/zinc/87/36/58/558873658.db2.gz BDYHQQRBDOEVHN-LJQANCHMSA-N 1 1 420.513 3.199 40 0 HGABMO O=C(N[C@H]1CCCOC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372525 558879819 /nfs/dbraw/zinc/87/98/19/558879819.db2.gz JKWUOYGZXWWJRX-BHDDXSALSA-N 1 1 410.489 3.052 40 0 HGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3c[nH]cc4c(Cl)nnc3-4)C2)nc(-c2ccccn2)[nH]1 ZINC000019402779 558883973 /nfs/dbraw/zinc/88/39/73/558883973.db2.gz QUYBINHGNVMINR-CYBMUJFWSA-N 1 1 421.892 3.136 40 0 HGABMO O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019403702 558884501 /nfs/dbraw/zinc/88/45/01/558884501.db2.gz ATKQOGBBJPNXJG-FQEVSTJZSA-N 1 1 422.533 3.030 40 0 HGABMO O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019404845 558884680 /nfs/dbraw/zinc/88/46/80/558884680.db2.gz GXQNUPWCNVUXDK-NRFANRHFSA-N 1 1 421.545 3.081 40 0 HGABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449999 558888513 /nfs/dbraw/zinc/88/85/13/558888513.db2.gz ILUROGDZDAWWBS-RTBURBONSA-N 1 1 413.591 3.269 40 0 HGABMO C[C@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000019495959 558894749 /nfs/dbraw/zinc/89/47/49/558894749.db2.gz LRJJRJGCDCTXNE-ASGJETJBSA-N 1 1 412.578 3.481 40 0 HGABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)c(C)c1 ZINC000019500309 558898567 /nfs/dbraw/zinc/89/85/67/558898567.db2.gz OPAJQCVBEKXAAE-FQEVSTJZSA-N 1 1 414.619 3.420 40 0 HGABMO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](CC2=CCCOC2)C1 ZINC000019529115 558910802 /nfs/dbraw/zinc/91/08/02/558910802.db2.gz HMPNWFYTTLDEKO-VWLOTQADSA-N 1 1 405.542 3.466 40 0 HGABMO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](CC2=CCCOC2)C1 ZINC000019529114 558910859 /nfs/dbraw/zinc/91/08/59/558910859.db2.gz HMPNWFYTTLDEKO-RUZDIDTESA-N 1 1 405.542 3.466 40 0 HGABMO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)no2)c1 ZINC000019565641 558925523 /nfs/dbraw/zinc/92/55/23/558925523.db2.gz ALTMLUWURLRLNJ-LJQANCHMSA-N 1 1 406.486 3.388 40 0 HGABMO Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@H]4CC[N@H+](C)C[C@@H]4C)cc3)nc2n1 ZINC000072335304 558936395 /nfs/dbraw/zinc/93/63/95/558936395.db2.gz BGGZICMIEFPWTK-JXFKEZNVSA-N 1 1 420.561 3.443 40 0 HGABMO COC(=O)[C@@]1(CC(=O)OCc2ccccc2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072340220 558939046 /nfs/dbraw/zinc/93/90/46/558939046.db2.gz GDTMPFQXOAQHNR-TYBLODHISA-N 1 1 421.493 3.285 40 0 HGABMO Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(c3[nH+]cccc3C)CC2)on1 ZINC000072342350 558940218 /nfs/dbraw/zinc/94/02/18/558940218.db2.gz YNPXBTTVYUZQLO-UHFFFAOYSA-N 1 1 420.517 3.364 40 0 HGABMO COCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019593696 558944776 /nfs/dbraw/zinc/94/47/76/558944776.db2.gz RFZODOBJNQEZTI-YTQUADARSA-N 1 1 421.492 3.206 40 0 HGABMO 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CCc1[nH+]ccn1CC(=O)N1CCC[C@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370258 558956603 /nfs/dbraw/zinc/95/66/03/558956603.db2.gz CPZBSEPPHWZZIK-HNNXBMFYSA-N 1 1 410.543 3.254 40 0 HGABMO O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)NCCC[NH+]1CCOCC1 ZINC000019681447 558956923 /nfs/dbraw/zinc/95/69/23/558956923.db2.gz CLDVKTVRFVJWLZ-UHFFFAOYSA-N 1 1 422.554 3.227 40 0 HGABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)c2)n1 ZINC000072372619 558960354 /nfs/dbraw/zinc/96/03/54/558960354.db2.gz GTNGBQWWSVPQKZ-HXUWFJFHSA-N 1 1 418.501 3.216 40 0 HGABMO O=C(NC[C@H]1CCCOC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373038 558960909 /nfs/dbraw/zinc/96/09/09/558960909.db2.gz MIWZJOWBCINJRO-PUHATCMVSA-N 1 1 406.526 3.160 40 0 HGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072379169 558968038 /nfs/dbraw/zinc/96/80/38/558968038.db2.gz UXDNYYYYKKHVJH-INIZCTEOSA-N 1 1 400.479 3.283 40 0 HGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(NCc3cccc(C)c3C)c2C1 ZINC000019711311 558973383 /nfs/dbraw/zinc/97/33/83/558973383.db2.gz UVXNJRTZBNRLAC-HXUWFJFHSA-N 1 1 407.562 3.419 40 0 HGABMO COc1cccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ncccc4C)CC3)on2)c1 ZINC000019713982 558973731 /nfs/dbraw/zinc/97/37/31/558973731.db2.gz XVKNLUVNIRNCMI-UHFFFAOYSA-N 1 1 406.486 3.402 40 0 HGABMO COc1cccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ncccc4C)CC3)on2)c1 ZINC000019713982 558973734 /nfs/dbraw/zinc/97/37/34/558973734.db2.gz XVKNLUVNIRNCMI-UHFFFAOYSA-N 1 1 406.486 3.402 40 0 HGABMO O=C(CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc3c(c1)CCC3)CC2)N1CCCC1 ZINC000585100762 559023848 /nfs/dbraw/zinc/02/38/48/559023848.db2.gz VSNGHWDNTFUBME-RUZDIDTESA-N 1 1 409.574 3.145 40 0 HGABMO COCC[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)COc1ccc(C)cc1)CC2)C(C)C ZINC000585104572 559027238 /nfs/dbraw/zinc/02/72/38/559027238.db2.gz QLTNZZADTSCXBC-JOCHJYFZSA-N 1 1 418.578 3.128 40 0 HGABMO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000585109776 559029507 /nfs/dbraw/zinc/02/95/07/559029507.db2.gz SNWXXZMIWILTGS-CNNODRBYSA-N 1 1 408.452 3.399 40 0 HGABMO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000096036452 559090137 /nfs/dbraw/zinc/09/01/37/559090137.db2.gz ODKNXYJSYWTXCH-DEOSSOPVSA-N 1 1 408.546 3.011 40 0 HGABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000096036452 559090138 /nfs/dbraw/zinc/09/01/38/559090138.db2.gz ODKNXYJSYWTXCH-DEOSSOPVSA-N 1 1 408.546 3.011 40 0 HGABMO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000096036453 559090301 /nfs/dbraw/zinc/09/03/01/559090301.db2.gz ODKNXYJSYWTXCH-XMMPIXPASA-N 1 1 408.546 3.011 40 0 HGABMO CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000096036453 559090303 /nfs/dbraw/zinc/09/03/03/559090303.db2.gz ODKNXYJSYWTXCH-XMMPIXPASA-N 1 1 408.546 3.011 40 0 HGABMO Cc1ccc(N2CC[N@@H+](CC(C)C)C3(CCN(Cc4nccs4)CC3)C2=O)cn1 ZINC000096230372 559103011 /nfs/dbraw/zinc/10/30/11/559103011.db2.gz ICUXHLYQYHOFAK-UHFFFAOYSA-N 1 1 413.591 3.186 40 0 HGABMO Cc1ccc(N2CC[N@H+](CC(C)C)C3(CCN(Cc4nccs4)CC3)C2=O)cn1 ZINC000096230372 559103012 /nfs/dbraw/zinc/10/30/12/559103012.db2.gz ICUXHLYQYHOFAK-UHFFFAOYSA-N 1 1 413.591 3.186 40 0 HGABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccoc4)CC3)c3ccccc32)CC1 ZINC000096242230 559103874 /nfs/dbraw/zinc/10/38/74/559103874.db2.gz QJOOAQNKMCAZST-FQEVSTJZSA-N 1 1 421.541 3.105 40 0 HGABMO CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096262426 559106510 /nfs/dbraw/zinc/10/65/10/559106510.db2.gz QHSXCZVBRVOXPB-PGRDOPGGSA-N 1 1 418.969 3.384 40 0 HGABMO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)Nc1ccccc1)CC3 ZINC000096262433 559106551 /nfs/dbraw/zinc/10/65/51/559106551.db2.gz CIQRTBIGLSPSAT-GBXCKJPGSA-N 1 1 410.562 3.265 40 0 HGABMO C[NH+]1CCN(C(=O)c2cc(-c3ccn(-c4ccc(F)cc4)n3)n3ccccc23)CC1 ZINC000096266732 559107827 /nfs/dbraw/zinc/10/78/27/559107827.db2.gz UEDQDROPCVUSLN-UHFFFAOYSA-N 1 1 403.461 3.319 40 0 HGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282228 559119940 /nfs/dbraw/zinc/11/99/40/559119940.db2.gz CCJFJGCNWQSEGF-NMNUPHIUSA-N 1 1 409.542 3.235 40 0 HGABMO CCOc1ccc(NC2CC[NH+]([C@@H]3CC(=O)N(c4cccc(OC)c4)C3=O)CC2)cc1 ZINC000100209925 559131890 /nfs/dbraw/zinc/13/18/90/559131890.db2.gz RAVROXPFZZFPRP-JOCHJYFZSA-N 1 1 423.513 3.302 40 0 HGABMO CCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)CC1 ZINC000100658006 559137393 /nfs/dbraw/zinc/13/73/93/559137393.db2.gz FYTYAMIUSQUTMM-KDURUIRLSA-N 1 1 422.573 3.422 40 0 HGABMO C[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000008091792 559274336 /nfs/dbraw/zinc/27/43/36/559274336.db2.gz LMQUVOIZVGNYDX-UHFFFAOYSA-N 1 1 403.935 3.280 40 0 HGABMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)C1 ZINC000169294106 559276685 /nfs/dbraw/zinc/27/66/85/559276685.db2.gz KBGUYTKESWMCLC-SQNIBIBYSA-N 1 1 407.580 3.309 40 0 HGABMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)C1 ZINC000169294106 559276687 /nfs/dbraw/zinc/27/66/87/559276687.db2.gz KBGUYTKESWMCLC-SQNIBIBYSA-N 1 1 407.580 3.309 40 0 HGABMO CCOc1ccccc1[C@@H]1CCC[C@@]2(O)CC[N@H+](CC(=O)NCc3ccco3)C[C@H]12 ZINC000012412461 560211862 /nfs/dbraw/zinc/21/18/62/560211862.db2.gz ZXFHIKYBELAUEJ-XZDHIHRUSA-N 1 1 412.530 3.315 40 0 biogenic,in-vitro HGABMO CCOc1ccccc1[C@@H]1CCC[C@@]2(O)CC[N@@H+](CC(=O)NCc3ccco3)C[C@H]12 ZINC000012412461 560211865 /nfs/dbraw/zinc/21/18/65/560211865.db2.gz ZXFHIKYBELAUEJ-XZDHIHRUSA-N 1 1 412.530 3.315 40 0 biogenic,in-vitro HGABMO CC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)CC1 ZINC000006706764 560745435 /nfs/dbraw/zinc/74/54/35/560745435.db2.gz BRCBEIKBRJZDEL-UHFFFAOYSA-N 1 1 415.559 3.190 40 0 HGABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4cccc5ccccc54)c(C)nn3c2C)CC1 ZINC000014607676 560847070 /nfs/dbraw/zinc/84/70/70/560847070.db2.gz ISFZHJHVXWNFKC-UHFFFAOYSA-N 1 1 414.513 3.339 40 0 HGABMO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501931 560873669 /nfs/dbraw/zinc/87/36/69/560873669.db2.gz VLMZIRYVMQEMHY-QHCPKHFHSA-N 1 1 420.561 3.389 40 0 HGABMO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501930 560873686 /nfs/dbraw/zinc/87/36/86/560873686.db2.gz VLMZIRYVMQEMHY-HSZRJFAPSA-N 1 1 420.561 3.389 40 0 HGABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000020141318 560881606 /nfs/dbraw/zinc/88/16/06/560881606.db2.gz SMERUTNGBARHNP-HXUWFJFHSA-N 1 1 414.916 3.241 40 0 HGABMO CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020142160 560881608 /nfs/dbraw/zinc/88/16/08/560881608.db2.gz GOFBMJYJJVVUBS-HSZRJFAPSA-N 1 1 404.562 3.431 40 0 HGABMO CCOc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)ccc1OCCO ZINC000057761365 568496768 /nfs/dbraw/zinc/49/67/68/568496768.db2.gz FYQROMKGOXQTPN-GOTSBHOMSA-N 1 1 410.558 3.348 40 0 HGABMO O=C(Cc1cccc(Br)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224589636 568586507 /nfs/dbraw/zinc/58/65/07/568586507.db2.gz VEPNRQBWKQVQLU-UHFFFAOYSA-N 1 1 403.320 3.140 40 0 HGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC ZINC000225696450 568665224 /nfs/dbraw/zinc/66/52/24/568665224.db2.gz SZPFTXNSSPBNIJ-OAHLLOKOSA-N 1 1 411.593 3.016 40 0 HGABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257262252 568793523 /nfs/dbraw/zinc/79/35/23/568793523.db2.gz LKSNRYRHGLQCIV-RUZDIDTESA-N 1 1 416.525 3.335 40 0 HGABMO CCc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257292833 568802472 /nfs/dbraw/zinc/80/24/72/568802472.db2.gz QNDJEEKLSJPSML-TXTKFYIRSA-N 1 1 409.534 3.107 40 0 HGABMO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)c1 ZINC000306126195 568888917 /nfs/dbraw/zinc/88/89/17/568888917.db2.gz DPESYCFYQLYJHI-RTWAWAEBSA-N 1 1 408.527 3.343 40 0 HGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccco3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133215 568895355 /nfs/dbraw/zinc/89/53/55/568895355.db2.gz MFKDTSHKJNOXDP-QPPBQGQZSA-N 1 1 419.529 3.470 40 0 HGABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135788 568897816 /nfs/dbraw/zinc/89/78/16/568897816.db2.gz PAXKMWPDJXWEKB-NOZRDPDXSA-N 1 1 408.542 3.483 40 0 HGABMO COc1ccc(C[N@H+]2C[C@@H](c3ccnn3C)[C@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000306136420 568898232 /nfs/dbraw/zinc/89/82/32/568898232.db2.gz PSWWHMBDKGGXGW-XUZZJYLKSA-N 1 1 408.546 3.047 40 0 HGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccoc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306139499 568901318 /nfs/dbraw/zinc/90/13/18/568901318.db2.gz SYUOOOSTIYWNKI-XUZZJYLKSA-N 1 1 419.529 3.470 40 0 HGABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306144353 568905620 /nfs/dbraw/zinc/90/56/20/568905620.db2.gz ZDBOZIUODPIBCG-NZQKXSOJSA-N 1 1 421.570 3.285 40 0 HGABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344582 568916989 /nfs/dbraw/zinc/91/69/89/568916989.db2.gz OIQLTZDNZIKXLG-NWFVXXGESA-N 1 1 421.884 3.080 40 0 HGABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344582 568916991 /nfs/dbraw/zinc/91/69/91/568916991.db2.gz OIQLTZDNZIKXLG-NWFVXXGESA-N 1 1 421.884 3.080 40 0 HGABMO COC[C@]1([NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218232259 568928479 /nfs/dbraw/zinc/92/84/79/568928479.db2.gz ATAKWQYDVDUMEY-SQNIBIBYSA-N 1 1 410.333 3.041 40 0 HGABMO CCC(=O)N1CCc2cc([C@H](O)C[N@H+]3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000012181134 569344680 /nfs/dbraw/zinc/34/46/80/569344680.db2.gz BYBQVVZADSKVRJ-RDGATRHJSA-N 1 1 424.541 3.011 40 0 HGABMO CC(=O)NCCn1nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c2cccnc21 ZINC000012219522 569344778 /nfs/dbraw/zinc/34/47/78/569344778.db2.gz QSRXYMXXLOPWQK-QGZVFWFLSA-N 1 1 413.472 3.225 40 0 HGABMO CCn1cc(C[N@H+]2CC[C@@H](c3nc(N(C)C)ncc3-c3cccc(OC)c3)C2)cn1 ZINC000019694994 569346678 /nfs/dbraw/zinc/34/66/78/569346678.db2.gz ZWIWUZRRMGVFGO-LJQANCHMSA-N 1 1 406.534 3.424 40 0 HGABMO COc1ccccc1CNC(=O)c1cc([C@H]2CC[N@@H+](Cc3ccccc3F)C2)n[nH]1 ZINC000019707787 569347979 /nfs/dbraw/zinc/34/79/79/569347979.db2.gz ZHZNUVBGTBDAEK-SFHVURJKSA-N 1 1 408.477 3.477 40 0 HGABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccnn3C)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019738840 569348553 /nfs/dbraw/zinc/34/85/53/569348553.db2.gz MFQOUBVBFOSGJR-IBGZPJMESA-N 1 1 422.577 3.368 40 0 HGABMO Cc1nc([C@H]2CC[N@H+](Cc3ccnn3C)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019738840 569348554 /nfs/dbraw/zinc/34/85/54/569348554.db2.gz MFQOUBVBFOSGJR-IBGZPJMESA-N 1 1 422.577 3.368 40 0 HGABMO CC(=O)N1CCC[C@@H]1c1nc2c(c(NCCOc3cccc(C)c3C)n1)CC[N@@H+](C)C2 ZINC000019752910 569348745 /nfs/dbraw/zinc/34/87/45/569348745.db2.gz BIZCBLCICYBONS-OAQYLSRUSA-N 1 1 423.561 3.256 40 0 HGABMO CC(=O)N1CCC[C@@H]1c1nc2c(c(NCCOc3cccc(C)c3C)n1)CC[N@H+](C)C2 ZINC000019752910 569348746 /nfs/dbraw/zinc/34/87/46/569348746.db2.gz BIZCBLCICYBONS-OAQYLSRUSA-N 1 1 423.561 3.256 40 0 HGABMO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000004847482 571046136 /nfs/dbraw/zinc/04/61/36/571046136.db2.gz YXSYKQYNDJUNJK-NRFANRHFSA-N 1 1 424.549 3.365 40 0 HGABMO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000004847482 571046137 /nfs/dbraw/zinc/04/61/37/571046137.db2.gz YXSYKQYNDJUNJK-NRFANRHFSA-N 1 1 424.549 3.365 40 0 HGABMO CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030880834 291233647 /nfs/dbraw/zinc/23/36/47/291233647.db2.gz SAYALHQMYTYGMY-VABKMULXSA-N 1 1 411.590 3.435 40 0 biogenic,in-vitro HGABMO O=C(NCc1ccccc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298165 291243606 /nfs/dbraw/zinc/24/36/06/291243606.db2.gz SBVDSSSFZSGRBG-JRFVFWCSSA-N 1 1 421.589 3.428 40 0 biogenic,in-vitro HGABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2c[nH]nc2-c2cccs2)CC3)CC1 ZINC000012116270 132354257 /nfs/dbraw/zinc/35/42/57/132354257.db2.gz CKMAIQFKHRKZHD-UHFFFAOYSA-N 1 1 410.547 3.016 40 0 HGABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC3)CC1 ZINC000012116270 132354259 /nfs/dbraw/zinc/35/42/59/132354259.db2.gz CKMAIQFKHRKZHD-UHFFFAOYSA-N 1 1 410.547 3.016 40 0 HGABMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000044882818 524064170 /nfs/dbraw/zinc/06/41/70/524064170.db2.gz FGYRJSKBHPDIRE-SFHVURJKSA-N 1 1 416.493 3.380 40 0 HGABMO O=c1cc(N2C3=[N+](C[C@]2(O)c2ccc(F)cc2)CCCCC3)[nH]n1-c1ccccc1 ZINC000044033624 526960215 /nfs/dbraw/zinc/96/02/15/526960215.db2.gz DPLZFJJETSTRGS-QHCPKHFHSA-N 1 1 407.469 3.022 40 0 HGABMO COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000084923868 557686055 /nfs/dbraw/zinc/68/60/55/557686055.db2.gz SRGGYEFLVHOMED-QFIPXVFZSA-N 1 1 420.561 3.344 40 0 HGABMO Cc1cc(C)nc(N2CCC(CC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)CC2)n1 ZINC000019748190 558267453 /nfs/dbraw/zinc/26/74/53/558267453.db2.gz AJXMFWFHBUUVQK-QFIPXVFZSA-N 1 1 407.562 3.215 40 0 HGABMO Cc1cc(C)nc(N2CCC(CC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)CC2)n1 ZINC000019748190 558267454 /nfs/dbraw/zinc/26/74/54/558267454.db2.gz AJXMFWFHBUUVQK-QFIPXVFZSA-N 1 1 407.562 3.215 40 0 HGABMO COc1ccc(NC(=O)c2cnc([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2C)cc1 ZINC000019753824 558273075 /nfs/dbraw/zinc/27/30/75/558273075.db2.gz GJRZRPRTPSKUHN-KRWDZBQOSA-N 1 1 403.486 3.430 40 0 HGABMO CC[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)CC1 ZINC000020453473 558367526 /nfs/dbraw/zinc/36/75/26/558367526.db2.gz JZJGYVYWSQWHSY-UHFFFAOYSA-N 1 1 421.950 3.227 40 0 HGABMO CSc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366357 558388351 /nfs/dbraw/zinc/38/83/51/558388351.db2.gz NHLWWUSPZUMPQD-LIMIJEPZSA-N 1 1 411.571 3.401 40 0 HGABMO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2Cl)c1 ZINC000037020530 558442994 /nfs/dbraw/zinc/44/29/94/558442994.db2.gz UHJUTJWPDUXDEZ-UHFFFAOYSA-N 1 1 409.939 3.049 40 0 HGABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2Cl)c(C)c1 ZINC000013646502 558556770 /nfs/dbraw/zinc/55/67/70/558556770.db2.gz MNASONPKALBTQG-UHFFFAOYSA-N 1 1 423.966 3.439 40 0 HGABMO CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)C[NH+]3CCCCCC3)sc2c1 ZINC000016740521 558803277 /nfs/dbraw/zinc/80/32/77/558803277.db2.gz YJKIWUQTGZJNGO-UHFFFAOYSA-N 1 1 424.592 3.141 40 0 HGABMO Cc1c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000038850166 558818611 /nfs/dbraw/zinc/81/86/11/558818611.db2.gz MVXDUKLRAWYYFN-IBGZPJMESA-N 1 1 422.504 3.474 40 0 HGABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)no1)N1CCC(O)CC1 ZINC000019349009 558874915 /nfs/dbraw/zinc/87/49/15/558874915.db2.gz VINWMFBXDFEUCH-MRXNPFEDSA-N 1 1 403.910 3.305 40 0 HGABMO O=C(C1CC1)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc21 ZINC000019349904 558875327 /nfs/dbraw/zinc/87/53/27/558875327.db2.gz WQJZLIYRUVAUOZ-DEOSSOPVSA-N 1 1 423.532 3.371 40 0 HGABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4cccnc4)[nH]c(=O)c3C2)CC1 ZINC000019496005 558895034 /nfs/dbraw/zinc/89/50/34/558895034.db2.gz CQPKXFWQMMWHKO-IAYYMHMVSA-N 1 1 421.545 3.491 40 0 HGABMO CCN1CC[N@@H+](CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 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ZINC000072374859 558962893 /nfs/dbraw/zinc/96/28/93/558962893.db2.gz SXELRGYDGUVOBL-LJQANCHMSA-N 1 1 408.550 3.362 40 0 HGABMO Cc1cnc(-c2nc(C[N@H+](C)CC(C)C)ncc2C(=O)NCc2ccccc2)cn1 ZINC000019696900 558964662 /nfs/dbraw/zinc/96/46/62/558964662.db2.gz MLQIDQCHLRICKJ-UHFFFAOYSA-N 1 1 404.518 3.260 40 0 HGABMO CNc1nc([C@H]2CCCCN2C(=O)c2cccc3cccnc32)nc2c1CC[N@H+](C)C2 ZINC000072376561 558965819 /nfs/dbraw/zinc/96/58/19/558965819.db2.gz UZCZPCRZXIQKPW-HXUWFJFHSA-N 1 1 416.529 3.422 40 0 HGABMO CNc1nc([C@H]2CCCCN2C(=O)c2cccc3cccnc32)nc2c1CC[N@@H+](C)C2 ZINC000072376561 558965821 /nfs/dbraw/zinc/96/58/21/558965821.db2.gz UZCZPCRZXIQKPW-HXUWFJFHSA-N 1 1 416.529 3.422 40 0 HGABMO CCc1cc(CNC(=O)c2ccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2)on1 ZINC000019706001 558968501 /nfs/dbraw/zinc/96/85/01/558968501.db2.gz XQOGOCDQLRGPJE-GOSISDBHSA-N 1 1 405.502 3.337 40 0 HGABMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)nc2c1CCCN2CC1CC1 ZINC000019707022 558969248 /nfs/dbraw/zinc/96/92/48/558969248.db2.gz 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COc1cccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@H]32)c1 ZINC000585107993 559029747 /nfs/dbraw/zinc/02/97/47/559029747.db2.gz SMAUHBPXDGGIEU-IFMALSPDSA-N 1 1 400.544 3.040 40 0 HGABMO COc1cccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@H]32)c1 ZINC000585107993 559029748 /nfs/dbraw/zinc/02/97/48/559029748.db2.gz SMAUHBPXDGGIEU-IFMALSPDSA-N 1 1 400.544 3.040 40 0 HGABMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369852 559030912 /nfs/dbraw/zinc/03/09/12/559030912.db2.gz WRMKBSBJQCLVBI-FYHVMQNLSA-N 1 1 424.585 3.089 40 0 HGABMO O=C(Cc1ccccn1)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000585113452 559031220 /nfs/dbraw/zinc/03/12/20/559031220.db2.gz IZIJXUGNGWMVOB-VWLOTQADSA-N 1 1 405.542 3.155 40 0 HGABMO CCN1[C@H]2CC[N@@H+](Cc3ccc(C)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145734 559097566 /nfs/dbraw/zinc/09/75/66/559097566.db2.gz QQADITIIEVYLFB-PMACEKPBSA-N 1 1 400.544 3.431 40 0 HGABMO C[N@H+]1CCCN(C(=O)c2nc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1 ZINC000096155008 559099317 /nfs/dbraw/zinc/09/93/17/559099317.db2.gz QWMRWZJXZQNLJB-UHFFFAOYSA-N 1 1 414.513 3.024 40 0 HGABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)c1 ZINC000096215604 559101759 /nfs/dbraw/zinc/10/17/59/559101759.db2.gz WKYJZKUXLHSYLW-HXUWFJFHSA-N 1 1 406.573 3.434 40 0 HGABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096262741 559106692 /nfs/dbraw/zinc/10/66/92/559106692.db2.gz XQEVQDVORQRQKS-QHCPKHFHSA-N 1 1 419.516 3.007 40 0 HGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287806 559123168 /nfs/dbraw/zinc/12/31/68/559123168.db2.gz SEVNESIAQBTRKE-NMNUPHIUSA-N 1 1 409.542 3.235 40 0 HGABMO Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=[NH+][C@@H]2c1ccccn1 ZINC000104280085 559159857 /nfs/dbraw/zinc/15/98/57/559159857.db2.gz YQXJJYDSIMENRP-QFIPXVFZSA-N 1 1 414.513 3.230 40 0 HGABMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257200446 559282438 /nfs/dbraw/zinc/28/24/38/559282438.db2.gz ADJHPNMTZBMAQS-XMMPIXPASA-N 1 1 422.504 3.268 40 0 HGABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000257233509 559283877 /nfs/dbraw/zinc/28/38/77/559283877.db2.gz GPOZASHGLJDGQA-OAQYLSRUSA-N 1 1 404.514 3.447 40 0 HGABMO CCOc1ccccc1[C@@H]1CCC[C@@]2(O)CC[N@H+](CC(=O)NCc3ccco3)C[C@@H]12 ZINC000020529092 560093460 /nfs/dbraw/zinc/09/34/60/560093460.db2.gz ZXFHIKYBELAUEJ-ZCVJKFOLSA-N 1 1 412.530 3.315 40 0 biogenic,in-vitro HGABMO CCOc1ccccc1[C@@H]1CCC[C@@]2(O)CC[N@@H+](CC(=O)NCc3ccco3)C[C@@H]12 ZINC000020529092 560093461 /nfs/dbraw/zinc/09/34/61/560093461.db2.gz ZXFHIKYBELAUEJ-ZCVJKFOLSA-N 1 1 412.530 3.315 40 0 biogenic,in-vitro HGABMO Cn1ccc2cc(C(=O)N3CC4(C3)CC[C@@H](C[N@@H+](C)Cc3cccnc3)CO4)ccc21 ZINC000575402996 560546867 /nfs/dbraw/zinc/54/68/67/560546867.db2.gz FLYJQPHVVCYKDK-FQEVSTJZSA-N 1 1 418.541 3.327 40 0 HGABMO O=C(CN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409415252 560723599 /nfs/dbraw/zinc/72/35/99/560723599.db2.gz YANKGUFDQNGLKJ-DAVFGYKESA-N 1 1 405.542 3.064 40 0 HGABMO O=C1C[C@@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000008570042 560755737 /nfs/dbraw/zinc/75/57/37/560755737.db2.gz PBAVITCTMCJRJB-IAQYHMDHSA-N 1 1 404.816 3.228 40 0 HGABMO O=C1C[C@@H]([N@@H+]2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000008570042 560755739 /nfs/dbraw/zinc/75/57/39/560755739.db2.gz PBAVITCTMCJRJB-IAQYHMDHSA-N 1 1 404.816 3.228 40 0 HGABMO COc1cccc(-c2noc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599791 568519966 /nfs/dbraw/zinc/51/99/66/568519966.db2.gz SOGPNFKEDWBNRL-GOSISDBHSA-N 1 1 424.476 3.413 40 0 HGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000222791190 568526745 /nfs/dbraw/zinc/52/67/45/568526745.db2.gz MJRGDLSLAPWOPY-HNNXBMFYSA-N 1 1 419.385 3.391 40 0 HGABMO Cc1cc(OCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc(C)c1Cl ZINC000224566850 568585624 /nfs/dbraw/zinc/58/56/24/568585624.db2.gz YWQTYXDIRCYMJW-UHFFFAOYSA-N 1 1 402.922 3.484 40 0 HGABMO O=C(CC[NH+]1CCOCC1)N1CCCC[C@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000257211240 568779398 /nfs/dbraw/zinc/77/93/98/568779398.db2.gz BYBQXKGEXFOQRR-IBGZPJMESA-N 1 1 421.501 3.061 40 0 HGABMO CO[C@H]1C[N@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC[C@]12CCCO2 ZINC000257222675 568782782 /nfs/dbraw/zinc/78/27/82/568782782.db2.gz DUGWAVPNCVMBHJ-PZJWPPBQSA-N 1 1 401.532 3.327 40 0 HGABMO CO[C@H]1C[N@@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC[C@]12CCCO2 ZINC000257222675 568782783 /nfs/dbraw/zinc/78/27/83/568782783.db2.gz DUGWAVPNCVMBHJ-PZJWPPBQSA-N 1 1 401.532 3.327 40 0 HGABMO COc1ccc(NC(=O)C[NH+]2CCC(c3cccc(Nc4cnccn4)n3)CC2)cc1 ZINC000257236752 568786790 /nfs/dbraw/zinc/78/67/90/568786790.db2.gz HDPMEPBBTJXFRT-UHFFFAOYSA-N 1 1 418.501 3.442 40 0 HGABMO CC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2Cc1cc(C(C)(C)C)ccc1OCC(N)=O ZINC000257240315 568787737 /nfs/dbraw/zinc/78/77/37/568787737.db2.gz HSZJLJXKCQELGR-GHTZIAJQSA-N 1 1 415.578 3.071 40 0 HGABMO Cc1ccc(C)c(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)c1 ZINC000257275906 568797438 /nfs/dbraw/zinc/79/74/38/568797438.db2.gz NRLRBNBBKDOFLV-UHFFFAOYSA-N 1 1 421.607 3.158 40 0 HGABMO CCn1c2ccc(NC(=O)C[N@@H+]3C[C@@H]4[C@@H](Cc5ccccn5)CC[C@@H]4C3)cc2oc1=O ZINC000257279078 568798139 /nfs/dbraw/zinc/79/81/39/568798139.db2.gz OEYKSXYBKIEWMF-MBOZVWFJSA-N 1 1 420.513 3.149 40 0 HGABMO Cc1nonc1COc1ccccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257296192 568803300 /nfs/dbraw/zinc/80/33/00/568803300.db2.gz RBQGQQUCMZEEQW-ZERUQHPESA-N 1 1 410.518 3.434 40 0 HGABMO CC1=CC(C)(C)N(C(=O)C[N@H+]2CCC[C@](C(N)=O)(c3ccccn3)C2)c2ccccc21 ZINC000257303162 568805524 /nfs/dbraw/zinc/80/55/24/568805524.db2.gz SGAGPXJHAIVEIP-RUZDIDTESA-N 1 1 418.541 3.129 40 0 HGABMO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2ccccc2)CC[C@@H]1O ZINC000257304157 568805717 /nfs/dbraw/zinc/80/57/17/568805717.db2.gz SKGZFQLCVJRHNS-SFTDATJTSA-N 1 1 402.922 3.380 40 0 HGABMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2ccccc2)CC[C@@H]1O ZINC000257304157 568805719 /nfs/dbraw/zinc/80/57/19/568805719.db2.gz SKGZFQLCVJRHNS-SFTDATJTSA-N 1 1 402.922 3.380 40 0 HGABMO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@]12CCCO2 ZINC000257325897 568811944 /nfs/dbraw/zinc/81/19/44/568811944.db2.gz WUXSBSRMGCLFMR-LADGPHEKSA-N 1 1 410.514 3.474 40 0 HGABMO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@]12CCCO2 ZINC000257325897 568811945 /nfs/dbraw/zinc/81/19/45/568811945.db2.gz WUXSBSRMGCLFMR-LADGPHEKSA-N 1 1 410.514 3.474 40 0 HGABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@]12CCCO2 ZINC000257325896 568811949 /nfs/dbraw/zinc/81/19/49/568811949.db2.gz WUXSBSRMGCLFMR-ISKFKSNPSA-N 1 1 410.514 3.474 40 0 HGABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@]12CCCO2 ZINC000257325896 568811951 /nfs/dbraw/zinc/81/19/51/568811951.db2.gz WUXSBSRMGCLFMR-ISKFKSNPSA-N 1 1 410.514 3.474 40 0 HGABMO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@]12CCCO2 ZINC000257325898 568812080 /nfs/dbraw/zinc/81/20/80/568812080.db2.gz WUXSBSRMGCLFMR-UPVQGACJSA-N 1 1 410.514 3.474 40 0 HGABMO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@]12CCCO2 ZINC000257325898 568812082 /nfs/dbraw/zinc/81/20/82/568812082.db2.gz WUXSBSRMGCLFMR-UPVQGACJSA-N 1 1 410.514 3.474 40 0 HGABMO COc1cccc(C[N@H+]2C[C@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@@H]3C2)c1 ZINC000306125157 568888001 /nfs/dbraw/zinc/88/80/01/568888001.db2.gz CICUWIYXMVFZOV-YLJYHZDGSA-N 1 1 403.486 3.158 40 0 HGABMO O=C(NCC1CCCCC1)C1CCN(C2=NO[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306125829 568888513 /nfs/dbraw/zinc/88/85/13/568888513.db2.gz DDDYMHSPRXAZRJ-PKTZIBPZSA-N 1 1 424.589 3.239 40 0 HGABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)cc1 ZINC000306125858 568888634 /nfs/dbraw/zinc/88/86/34/568888634.db2.gz DDYOKNMRWGNHDQ-LEWJYISDSA-N 1 1 408.527 3.343 40 0 HGABMO C[N@H+]1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306126573 568889327 /nfs/dbraw/zinc/88/93/27/568889327.db2.gz DZEXMLFFIWTKHI-LJQANCHMSA-N 1 1 404.514 3.316 40 0 HGABMO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306126817 568889588 /nfs/dbraw/zinc/88/95/88/568889588.db2.gz FGBLYYGGKNDFMA-GOSISDBHSA-N 1 1 404.514 3.316 40 0 HGABMO CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)Cc3ccccc3)[N@H+]2Cc2ccccc21 ZINC000306130024 568892389 /nfs/dbraw/zinc/89/23/89/568892389.db2.gz IUGRHOYVPBIZPZ-FCHUYYIVSA-N 1 1 420.557 3.317 40 0 HGABMO COc1ncccc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306133410 568895368 /nfs/dbraw/zinc/89/53/68/568895368.db2.gz MKKOHVIZIFSATR-SFTDATJTSA-N 1 1 406.461 3.112 40 0 HGABMO COc1ncccc1C[N@H+]1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306133410 568895369 /nfs/dbraw/zinc/89/53/69/568895369.db2.gz MKKOHVIZIFSATR-SFTDATJTSA-N 1 1 406.461 3.112 40 0 HGABMO C[N@@H+]1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)c1cc3c(s1)CCC3)C2 ZINC000306134530 568896595 /nfs/dbraw/zinc/89/65/95/568896595.db2.gz NQIBHQPYGUDTCN-GOSISDBHSA-N 1 1 411.571 3.385 40 0 HGABMO C[N@H+]1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)c1cc3c(s1)CCC3)C2 ZINC000306134530 568896596 /nfs/dbraw/zinc/89/65/96/568896596.db2.gz NQIBHQPYGUDTCN-GOSISDBHSA-N 1 1 411.571 3.385 40 0 HGABMO Cc1cnc(N2CC[C@@H](NC(=O)C(C)C)[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000306136049 568897911 /nfs/dbraw/zinc/89/79/11/568897911.db2.gz PHNIALQQRMGAAE-DENIHFKCSA-N 1 1 413.591 3.090 40 0 HGABMO c1ccc(CN2C[C@]3(CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)c3ncccc32)nc1 ZINC000306137966 568899835 /nfs/dbraw/zinc/89/98/35/568899835.db2.gz RLFAQFUXVPTBLP-XMMPIXPASA-N 1 1 400.482 3.369 40 0 HGABMO Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CC[NH+](Cc4cccs4)CC3)O2)cc1 ZINC000306140634 568902359 /nfs/dbraw/zinc/90/23/59/568902359.db2.gz UZHXBMZSLKDDBM-NRFANRHFSA-N 1 1 413.587 3.038 40 0 HGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141156 568902823 /nfs/dbraw/zinc/90/28/23/568902823.db2.gz VMRUAEYDKAPYQI-ZJSXRUAMSA-N 1 1 419.529 3.470 40 0 HGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306141266 568903116 /nfs/dbraw/zinc/90/31/16/568903116.db2.gz VQFYQXBJXIYXFF-JKSUJKDBSA-N 1 1 409.440 3.113 40 0 HGABMO CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000306142884 568904476 /nfs/dbraw/zinc/90/44/76/568904476.db2.gz XNEVTIWUYVHCAQ-NRFANRHFSA-N 1 1 413.587 3.072 40 0 HGABMO O=c1[nH]c2cc3c(cc2cc1CNC1CC[NH+](Cc2ccccc2)CC1)OCCO3 ZINC000004132802 568915556 /nfs/dbraw/zinc/91/55/56/568915556.db2.gz CBJBQUFBOTXHPI-UHFFFAOYSA-N 1 1 405.498 3.054 40 0 HGABMO CCCc1ncc(C[N@H+]2CCC[C@H]([C@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 ZINC000247962717 569315921 /nfs/dbraw/zinc/31/59/21/569315921.db2.gz WARHGDVHAMOJPZ-NZQKXSOJSA-N 1 1 408.546 3.451 40 0 HGABMO CC[NH+]1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 ZINC000006325897 569330914 /nfs/dbraw/zinc/33/09/14/569330914.db2.gz KXEDLIRLFFBSNO-QHCPKHFHSA-N 1 1 409.555 3.239 40 0 HGABMO CC(=O)NCCn1nc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c2cccnc21 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CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccc(C)o1)C2 ZINC000097952814 559124890 /nfs/dbraw/zinc/12/48/90/559124890.db2.gz WMFFMACBERUSKN-QHCPKHFHSA-N 1 1 410.518 3.176 40 0 HGABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000097952814 559124892 /nfs/dbraw/zinc/12/48/92/559124892.db2.gz WMFFMACBERUSKN-QHCPKHFHSA-N 1 1 410.518 3.176 40 0 HGABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccsc1)C2 ZINC000097952812 559124959 /nfs/dbraw/zinc/12/49/59/559124959.db2.gz LQDQKSSPANQRNZ-QFIPXVFZSA-N 1 1 412.559 3.336 40 0 HGABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccsc1)C2 ZINC000097952812 559124961 /nfs/dbraw/zinc/12/49/61/559124961.db2.gz LQDQKSSPANQRNZ-QFIPXVFZSA-N 1 1 412.559 3.336 40 0 HGABMO Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)n1 ZINC000116180821 559189402 /nfs/dbraw/zinc/18/94/02/559189402.db2.gz ZVHWDXUGIPBTKI-UHFFFAOYSA-N 1 1 418.541 3.310 40 0 HGABMO C[N@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257244360 559284293 /nfs/dbraw/zinc/28/42/93/559284293.db2.gz IKYWNUVXKMUZPM-OAQYLSRUSA-N 1 1 418.578 3.220 40 0 HGABMO COc1ccc(NC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1 ZINC000257255553 559284726 /nfs/dbraw/zinc/28/47/26/559284726.db2.gz KHXRIWPDIZLRSJ-KJWPAHLWSA-N 1 1 421.541 3.378 40 0 HGABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)NCCc3ccccc3)CC2)c(C)c1 ZINC000257280982 559285330 /nfs/dbraw/zinc/28/53/30/559285330.db2.gz ONEQMSVNZQOZDZ-VWLOTQADSA-N 1 1 410.558 3.258 40 0 HGABMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@H](O)[C@@H]21 ZINC000004028673 560597293 /nfs/dbraw/zinc/59/72/93/560597293.db2.gz SYTZVGPWDLPTPO-XMPDMAAFSA-N 1 1 413.558 3.325 40 0 HGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000222791119 568526737 /nfs/dbraw/zinc/52/67/37/568526737.db2.gz MJRGDLSLAPWOPY-OAHLLOKOSA-N 1 1 419.385 3.391 40 0 HGABMO Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCCC[NH+]4CCOCC4)ccc32)c1 ZINC000223085736 568537032 /nfs/dbraw/zinc/53/70/32/568537032.db2.gz JAAUCSGUIBGTHI-UHFFFAOYSA-N 1 1 421.541 3.040 40 0 HGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224381741 568579695 /nfs/dbraw/zinc/57/96/95/568579695.db2.gz RPIAWLPQGYHSMK-LJQANCHMSA-N 1 1 407.580 3.001 40 0 HGABMO COCC[N@@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc(-n3cccc3)cc1)C2 ZINC000247995131 568746888 /nfs/dbraw/zinc/74/68/88/568746888.db2.gz MMBOYRGCCJLLQY-YKSBVNFPSA-N 1 1 411.546 3.067 40 0 HGABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257218677 568781583 /nfs/dbraw/zinc/78/15/83/568781583.db2.gz DEBZKYDHWBGJNM-HSZRJFAPSA-N 1 1 406.542 3.086 40 0 HGABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257218678 568781656 /nfs/dbraw/zinc/78/16/56/568781656.db2.gz DEBZKYDHWBGJNM-QHCPKHFHSA-N 1 1 406.542 3.086 40 0 HGABMO CCc1ncc(C[N@H+]2CCC[C@@H](Cc3cc(Nc4cc(C)[nH]n4)nc(C)n3)C2)cn1 ZINC000257233426 568785725 /nfs/dbraw/zinc/78/57/25/568785725.db2.gz GPFFRJXSLFSBDQ-KRWDZBQOSA-N 1 1 406.538 3.367 40 0 HGABMO Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O ZINC000257237673 568786898 /nfs/dbraw/zinc/78/68/98/568786898.db2.gz HHOHOSJCJHYPPA-DBXWQHBBSA-N 1 1 415.925 3.267 40 0 HGABMO COc1ccc(NC(=O)C[NH+]2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1 ZINC000257282884 568799377 /nfs/dbraw/zinc/79/93/77/568799377.db2.gz OVRCPCJUMYBSRF-UHFFFAOYSA-N 1 1 418.501 3.442 40 0 HGABMO Cc1nonc1COc1ccccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@H+]2C ZINC000257299428 568804260 /nfs/dbraw/zinc/80/42/60/568804260.db2.gz RQAOXJWCPOXVBS-GCUYEVCFSA-N 1 1 410.518 3.434 40 0 HGABMO CC(=O)N1CCCC[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 ZINC000257300177 568804466 /nfs/dbraw/zinc/80/44/66/568804466.db2.gz RTFIFMMQVRXMQT-WIYYLYMNSA-N 1 1 415.578 3.071 40 0 HGABMO COc1cccc(C[N@H+]2C[C@@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@@H]3C2)c1 ZINC000306125154 568887871 /nfs/dbraw/zinc/88/78/71/568887871.db2.gz CICUWIYXMVFZOV-FXAWDEMLSA-N 1 1 403.486 3.158 40 0 HGABMO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306125861 568888531 /nfs/dbraw/zinc/88/85/31/568888531.db2.gz DDYOKNMRWGNHDQ-SFTDATJTSA-N 1 1 408.527 3.343 40 0 HGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126030 568888594 /nfs/dbraw/zinc/88/85/94/568888594.db2.gz DKBHTDLNPCYXGE-RCZVLFRGSA-N 1 1 422.573 3.461 40 0 HGABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4sccc4C)C[C@@H]2C3)cc1 ZINC000306129321 568891777 /nfs/dbraw/zinc/89/17/77/568891777.db2.gz IAPYCKYCWPMVEG-HOTGVXAUSA-N 1 1 423.542 3.213 40 0 HGABMO COCCN1CC[C@@]2(C[N@@H+](Cc3sccc3C)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306136872 568898763 /nfs/dbraw/zinc/89/87/63/568898763.db2.gz QFJZHKJMBUTWRL-AVRDEDQJSA-N 1 1 416.591 3.298 40 0 HGABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)COCc2c(C(=O)NC4CCCC4)[nH]nc23)s1 ZINC000306140069 568901815 /nfs/dbraw/zinc/90/18/15/568901815.db2.gz UISBUSUOWGIENG-NRFANRHFSA-N 1 1 400.548 3.126 40 0 HGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306141264 568903109 /nfs/dbraw/zinc/90/31/09/568903109.db2.gz VQFYQXBJXIYXFF-HOTGVXAUSA-N 1 1 409.440 3.113 40 0 HGABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142364 568904066 /nfs/dbraw/zinc/90/40/66/568904066.db2.gz WXCGURHISQFEKK-UPVQGACJSA-N 1 1 403.482 3.072 40 0 HGABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306143050 568904744 /nfs/dbraw/zinc/90/47/44/568904744.db2.gz XRTUHKRTKKHDMO-IRXDYDNUSA-N 1 1 407.905 3.488 40 0 HGABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000329009046 568972389 /nfs/dbraw/zinc/97/23/89/568972389.db2.gz LVDBWHIQERRMQF-UHFFFAOYSA-N 1 1 415.563 3.165 40 0 HGABMO C[C@@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000329031722 568973778 /nfs/dbraw/zinc/97/37/78/568973778.db2.gz QKHYFSLWRLGPBK-LBPRGKRZSA-N 1 1 403.324 3.472 40 0 HGABMO C[C@@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C2CC2)n1 ZINC000329031722 568973779 /nfs/dbraw/zinc/97/37/79/568973779.db2.gz QKHYFSLWRLGPBK-LBPRGKRZSA-N 1 1 403.324 3.472 40 0 HGABMO Cc1cc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)no1 ZINC000004356506 569051783 /nfs/dbraw/zinc/05/17/83/569051783.db2.gz TYVGHVQNGAVROV-UHFFFAOYSA-N 1 1 408.384 3.022 40 0 HGABMO CCCc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 ZINC000247962715 569315908 /nfs/dbraw/zinc/31/59/08/569315908.db2.gz WARHGDVHAMOJPZ-NFBKMPQASA-N 1 1 408.546 3.451 40 0 HGABMO CN(C)c1ncc(C[N@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704613 569347670 /nfs/dbraw/zinc/34/76/70/569347670.db2.gz NOJWIJSYUAWGSY-MRXNPFEDSA-N 1 1 412.925 3.488 40 0 HGABMO CN(C)c1ncc(C[N@@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704613 569347671 /nfs/dbraw/zinc/34/76/71/569347671.db2.gz NOJWIJSYUAWGSY-MRXNPFEDSA-N 1 1 412.925 3.488 40 0 HGABMO CN(C)c1ncc(C[N@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704613 569347672 /nfs/dbraw/zinc/34/76/72/569347672.db2.gz NOJWIJSYUAWGSY-MRXNPFEDSA-N 1 1 412.925 3.488 40 0 HGABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009360425 569392487 /nfs/dbraw/zinc/39/24/87/569392487.db2.gz OIQLTZDNZIKXLG-PRHHBONVSA-N 1 1 421.884 3.080 40 0 HGABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009360425 569392488 /nfs/dbraw/zinc/39/24/88/569392488.db2.gz OIQLTZDNZIKXLG-PRHHBONVSA-N 1 1 421.884 3.080 40 0 HGABMO COCCNC(=O)c1cc([C@H]2C[N@H+](CCc3ccccc3)CCO2)nc2ccccc21 ZINC000019762279 569429673 /nfs/dbraw/zinc/42/96/73/569429673.db2.gz CQQOVFKJCPOFOM-XMMPIXPASA-N 1 1 419.525 3.227 40 0 HGABMO COCCNC(=O)c1cc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)nc2ccccc21 ZINC000019762279 569429674 /nfs/dbraw/zinc/42/96/74/569429674.db2.gz CQQOVFKJCPOFOM-XMMPIXPASA-N 1 1 419.525 3.227 40 0 HGABMO C[C@H](CO)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C2CC2)[nH+]1 ZINC000328959411 571305111 /nfs/dbraw/zinc/30/51/11/571305111.db2.gz ATYXXWUYBHDJJX-GFCCVEGCSA-N 1 1 408.424 3.608 40 0 HGABMO OC1CCN(c2nc(-c3ccccn3)nc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000012122838 132354587 /nfs/dbraw/zinc/35/45/87/132354587.db2.gz IUTIRUYSXHGUPC-UHFFFAOYSA-N 1 1 401.514 3.058 40 0 HGABMO OC1CCN(c2nc(-c3ccccn3)nc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000012122838 132354588 /nfs/dbraw/zinc/35/45/88/132354588.db2.gz IUTIRUYSXHGUPC-UHFFFAOYSA-N 1 1 401.514 3.058 40 0 HGABMO COc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc(OC)c1OC ZINC000044917535 522428720 /nfs/dbraw/zinc/42/87/20/522428720.db2.gz AAPVBLWJLXBJGX-SFHVURJKSA-N 1 1 416.493 3.380 40 0 HGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000044853665 527449966 /nfs/dbraw/zinc/44/99/66/527449966.db2.gz CCIJJEHUTGPYOR-UHFFFAOYSA-N 1 1 402.498 3.292 40 0 HGABMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035840138 557641363 /nfs/dbraw/zinc/64/13/63/557641363.db2.gz GDODBXYULPSREU-GBPOLFSSSA-N 1 1 421.884 3.080 40 0 HGABMO CCCOc1ccc(N2C[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000408709179 557736189 /nfs/dbraw/zinc/73/61/89/557736189.db2.gz YJJXVDFIYBZKRX-NRFANRHFSA-N 1 1 421.541 3.173 40 0 HGABMO CCCn1c(C[NH+]2CCC(Cc3nc(C)ncc3C(=O)NC)CC2)nc2ccccc21 ZINC000019756978 558274843 /nfs/dbraw/zinc/27/48/43/558274843.db2.gz OBVVNPJSDJDGEJ-UHFFFAOYSA-N 1 1 420.561 3.359 40 0 HGABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182722 558343557 /nfs/dbraw/zinc/34/35/57/558343557.db2.gz XUWNGOZYVZDLIU-QGWWYQLQSA-N 1 1 402.539 3.365 40 0 HGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000020489734 558377486 /nfs/dbraw/zinc/37/74/86/558377486.db2.gz CFLHAOQOMYHBBS-UHFFFAOYSA-N 1 1 418.906 3.136 40 0 HGABMO CCc1nn2c(nnc(C(=O)N3CC[NH+](CC)CC3)c2C)c1-c1ccc(Cl)cc1 ZINC000020672708 558398558 /nfs/dbraw/zinc/39/85/58/558398558.db2.gz DVAGNHJFXDTKOA-UHFFFAOYSA-N 1 1 412.925 3.093 40 0 HGABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2Cl)c1C ZINC000037020523 558443036 /nfs/dbraw/zinc/44/30/36/558443036.db2.gz IJKKQMOQVVRRFX-UHFFFAOYSA-N 1 1 423.966 3.439 40 0 HGABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000022530419 558496805 /nfs/dbraw/zinc/49/68/05/558496805.db2.gz OEDQWCZDHVOESL-UHFFFAOYSA-N 1 1 424.526 3.094 40 0 HGABMO Cc1ccc(C)c([C@H](O)C[NH+]2CCN([C@H](c3nccn3C)c3ccccc3)CC2)c1 ZINC000022887307 558518668 /nfs/dbraw/zinc/51/86/68/558518668.db2.gz DRCDWKYEJLYIHM-RPWUZVMVSA-N 1 1 404.558 3.478 40 0 HGABMO Cc1ccc([C@H](O)C[NH+]2CCN([C@@H](c3nccn3C)c3ccccc3)CC2)c(C)c1 ZINC000022887491 558518885 /nfs/dbraw/zinc/51/88/85/558518885.db2.gz NXLLLTKHHCAZIL-DNQXCXABSA-N 1 1 404.558 3.478 40 0 HGABMO Cc1ccc(Cl)cc1Nc1nc(N)nc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000022933220 558525294 /nfs/dbraw/zinc/52/52/94/558525294.db2.gz MQTDERLOKSTQMZ-UHFFFAOYSA-N 1 1 423.952 3.477 40 0 HGABMO C/C=C/C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H]([NH3+])[C@H]2SC1 ZINC000034193990 558773223 /nfs/dbraw/zinc/77/32/23/558773223.db2.gz 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CCc1nnc(Nc2cccc([C@@H]3CCC[N@H+](CC(=O)N(CC)CC)C3)n2)s1 ZINC000072375939 558965033 /nfs/dbraw/zinc/96/50/33/558965033.db2.gz NKXRQXYLJZWYLE-OAHLLOKOSA-N 1 1 402.568 3.287 40 0 HGABMO CCc1nnc(Nc2cccc([C@H]3CCC[N@H+](CC(=O)N(CC)CC)C3)n2)s1 ZINC000072375940 558965191 /nfs/dbraw/zinc/96/51/91/558965191.db2.gz NKXRQXYLJZWYLE-HNNXBMFYSA-N 1 1 402.568 3.287 40 0 HGABMO Cc1[nH+]ccn1-c1cccc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000072379174 558968018 /nfs/dbraw/zinc/96/80/18/558968018.db2.gz INDLPWKBIHHBNB-UHFFFAOYSA-N 1 1 400.479 3.283 40 0 HGABMO C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C1 ZINC000585104477 559026995 /nfs/dbraw/zinc/02/69/95/559026995.db2.gz OZZNCBPKNORVDN-REWPJTCUSA-N 1 1 413.606 3.425 40 0 HGABMO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(F)c1 ZINC000585104743 559027293 /nfs/dbraw/zinc/02/72/93/559027293.db2.gz SPSHQMIWYMDZDE-QFIPXVFZSA-N 1 1 402.441 3.229 40 0 HGABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(F)c1 ZINC000585104743 559027294 /nfs/dbraw/zinc/02/72/94/559027294.db2.gz SPSHQMIWYMDZDE-QFIPXVFZSA-N 1 1 402.441 3.229 40 0 HGABMO COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(F)c1 ZINC000585104739 559027336 /nfs/dbraw/zinc/02/73/36/559027336.db2.gz SPSHQMIWYMDZDE-JOCHJYFZSA-N 1 1 402.441 3.229 40 0 HGABMO COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(F)c1 ZINC000585104739 559027338 /nfs/dbraw/zinc/02/73/38/559027338.db2.gz SPSHQMIWYMDZDE-JOCHJYFZSA-N 1 1 402.441 3.229 40 0 HGABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585104888 559027532 /nfs/dbraw/zinc/02/75/32/559027532.db2.gz VVCICVFJPCKLQH-XMSQKQJNSA-N 1 1 416.562 3.447 40 0 HGABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106315 559028708 /nfs/dbraw/zinc/02/87/08/559028708.db2.gz SLZDKCLCGIXQDX-OIISXLGYSA-N 1 1 421.944 3.320 40 0 HGABMO C[C@H](C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]21)c1ccccc1 ZINC000585108039 559029860 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ZINC000585272273 559117903 /nfs/dbraw/zinc/11/79/03/559117903.db2.gz HKRXKUCLMRRRRC-HSZRJFAPSA-N 1 1 400.494 3.046 40 0 HGABMO Cc1ccc2[nH]c(C3CC[NH+](CC(=O)Nc4ccc5c(c4)OCCO5)CC3)nc2c1 ZINC000005054734 560623941 /nfs/dbraw/zinc/62/39/41/560623941.db2.gz LKTKTXFZAAAXQC-UHFFFAOYSA-N 1 1 406.486 3.461 40 0 HGABMO Cc1ccc2nc(C3CC[NH+](CC(=O)Nc4ccc5c(c4)OCCO5)CC3)[nH]c2c1 ZINC000005054734 560623943 /nfs/dbraw/zinc/62/39/43/560623943.db2.gz LKTKTXFZAAAXQC-UHFFFAOYSA-N 1 1 406.486 3.461 40 0 HGABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2Cl)CC1 ZINC000017087573 560862656 /nfs/dbraw/zinc/86/26/56/560862656.db2.gz MTVQEQSNBFYLQM-UHFFFAOYSA-N 1 1 406.914 3.358 40 0 HGABMO CCOc1ccccc1[C@@H]1CCC[C@]2(O)CC[N@H+](CC(=O)NCc3ccco3)C[C@H]12 ZINC000036641888 560882653 /nfs/dbraw/zinc/88/26/53/560882653.db2.gz ZXFHIKYBELAUEJ-LEEZEASISA-N 1 1 412.530 3.315 40 0 biogenic,in-vitro HGABMO CCOc1ccccc1[C@@H]1CCC[C@]2(O)CC[N@@H+](CC(=O)NCc3ccco3)C[C@H]12 ZINC000036641888 560882655 /nfs/dbraw/zinc/88/26/55/560882655.db2.gz ZXFHIKYBELAUEJ-LEEZEASISA-N 1 1 412.530 3.315 40 0 biogenic,in-vitro HGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000224380501 568579602 /nfs/dbraw/zinc/57/96/02/568579602.db2.gz ABSSZBWPCSIIOM-UHFFFAOYSA-N 1 1 424.526 3.041 40 0 HGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000224398789 568580250 /nfs/dbraw/zinc/58/02/50/568580250.db2.gz BXDSIDKIGYAAFQ-HXUWFJFHSA-N 1 1 421.607 3.309 40 0 HGABMO Cc1cccc(N(CCCC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)S(C)(=O)=O)c1C ZINC000225840966 568679797 /nfs/dbraw/zinc/67/97/97/568679797.db2.gz BAFAHWNLJVHJCR-GOSISDBHSA-N 1 1 423.623 3.088 40 0 HGABMO COCCN1C(=O)Cc2c1nc([C@@]1(C)CCC[N@@H+]1Cc1ccc3cc[nH]c3c1)nc2C ZINC000257207925 568778342 /nfs/dbraw/zinc/77/83/42/568778342.db2.gz BJXWFGJSSVMAGL-XMMPIXPASA-N 1 1 419.529 3.313 40 0 HGABMO COCCN1C(=O)Cc2c1nc([C@@]1(C)CCC[N@H+]1Cc1ccc3cc[nH]c3c1)nc2C ZINC000257207925 568778345 /nfs/dbraw/zinc/77/83/45/568778345.db2.gz BJXWFGJSSVMAGL-XMMPIXPASA-N 1 1 419.529 3.313 40 0 HGABMO Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4ccc(N)nc4)CCO3)c2)sc1C ZINC000257212110 568779657 /nfs/dbraw/zinc/77/96/57/568779657.db2.gz CBZSEJSFAGEWPH-SFHVURJKSA-N 1 1 424.530 3.398 40 0 HGABMO Cc1ccc(F)c(NC(=O)CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)[C@@H](O)C2)c1 ZINC000257216143 568780792 /nfs/dbraw/zinc/78/07/92/568780792.db2.gz CTHOIOWNEYECPH-UPVQGACJSA-N 1 1 411.521 3.174 40 0 HGABMO CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CC[N@@H+](C)Cc2cccnc2)n1 ZINC000257216202 568780797 /nfs/dbraw/zinc/78/07/97/568780797.db2.gz CTNVSXKSCBBIKW-NRFANRHFSA-N 1 1 418.545 3.410 40 0 HGABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257263797 568793925 /nfs/dbraw/zinc/79/39/25/568793925.db2.gz LRMYECAEZIWRDW-LJQANCHMSA-N 1 1 407.562 3.469 40 0 HGABMO Cc1ccc(=O)n(CC(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)n1 ZINC000257279923 568798461 /nfs/dbraw/zinc/79/84/61/568798461.db2.gz OISZUPWMWKLRDI-SLSDLSHTSA-N 1 1 422.573 3.028 40 0 HGABMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCCc1cc(=O)[nH][nH]1 ZINC000257283213 568799423 /nfs/dbraw/zinc/79/94/23/568799423.db2.gz OXFZNQCMEIMOQF-MJGOQNOKSA-N 1 1 400.523 3.463 40 0 HGABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3nc(C)c(C)s3)n2)CC1 ZINC000257284072 568799553 /nfs/dbraw/zinc/79/95/53/568799553.db2.gz PBDMVEGLSJRADU-CQSZACIVSA-N 1 1 417.579 3.229 40 0 HGABMO COc1ccc(C)cc1NC(=O)CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257314532 568808564 /nfs/dbraw/zinc/80/85/64/568808564.db2.gz UXKKIHCRCKNMOQ-ZCYQVOJMSA-N 1 1 423.557 3.044 40 0 HGABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)n(C)n2)cc1 ZINC000257334676 568814358 /nfs/dbraw/zinc/81/43/58/568814358.db2.gz YGYGJXGOBGILJR-UEVCKROQSA-N 1 1 412.534 3.044 40 0 HGABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)n(C)n2)cc1 ZINC000257334676 568814361 /nfs/dbraw/zinc/81/43/61/568814361.db2.gz YGYGJXGOBGILJR-UEVCKROQSA-N 1 1 412.534 3.044 40 0 HGABMO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccsc5)CCN4C)nnn3c2)cn1 ZINC000306123048 568886213 /nfs/dbraw/zinc/88/62/13/568886213.db2.gz ADJILMIZCRWXNB-FQEVSTJZSA-N 1 1 420.542 3.350 40 0 HGABMO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccsc5)CCN4C)nnn3c2)cn1 ZINC000306123048 568886214 /nfs/dbraw/zinc/88/62/14/568886214.db2.gz ADJILMIZCRWXNB-FQEVSTJZSA-N 1 1 420.542 3.350 40 0 HGABMO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306126818 568889623 /nfs/dbraw/zinc/88/96/23/568889623.db2.gz FGBLYYGGKNDFMA-SFHVURJKSA-N 1 1 404.514 3.316 40 0 HGABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135790 568897713 /nfs/dbraw/zinc/89/77/13/568897713.db2.gz PAXKMWPDJXWEKB-ZCYQVOJMSA-N 1 1 408.542 3.483 40 0 HGABMO Cc1cnc(N2CC[C@H](NC(=O)C(C)C)[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000306136052 568897939 /nfs/dbraw/zinc/89/79/39/568897939.db2.gz PHNIALQQRMGAAE-UGKGYDQZSA-N 1 1 413.591 3.090 40 0 HGABMO Cc1cnc(N2CC[C@H](NC(=O)C(C)C)[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000306136051 568898023 /nfs/dbraw/zinc/89/80/23/568898023.db2.gz PHNIALQQRMGAAE-SIKLNZKXSA-N 1 1 413.591 3.090 40 0 HGABMO COc1ncccc1C[N@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136335 568898214 /nfs/dbraw/zinc/89/82/14/568898214.db2.gz PQIVDAGKHXRGNV-GBXCKJPGSA-N 1 1 423.561 3.096 40 0 HGABMO COCCN1CC[C@]2(C[N@@H+](Cc3sccc3C)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306136874 568898713 /nfs/dbraw/zinc/89/87/13/568898713.db2.gz QFJZHKJMBUTWRL-PGRDOPGGSA-N 1 1 416.591 3.298 40 0 HGABMO Cc1ccsc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306138939 568900958 /nfs/dbraw/zinc/90/09/58/568900958.db2.gz SLDIFKOWBQPBHO-HUUCEWRRSA-N 1 1 411.506 3.344 40 0 HGABMO CCc1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(NCc4cncn4C)nc23)cc1 ZINC000306144730 568906114 /nfs/dbraw/zinc/90/61/14/568906114.db2.gz ZNILZPBEQVSESA-DEOSSOPVSA-N 1 1 418.545 3.059 40 0 HGABMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101341858 568916974 /nfs/dbraw/zinc/91/69/74/568916974.db2.gz GDODBXYULPSREU-ZQAYVECASA-N 1 1 421.884 3.080 40 0 HGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242543316 568963875 /nfs/dbraw/zinc/96/38/75/568963875.db2.gz JWRTZKAFAOVYFU-KURKYZTESA-N 1 1 410.333 3.123 40 0 HGABMO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(c3cc(C)[nH+]c(C)n3)CCO2)cc1 ZINC000019692827 569346165 /nfs/dbraw/zinc/34/61/65/569346165.db2.gz QACVWIXNAUJBOW-HXUWFJFHSA-N 1 1 420.517 3.203 40 0 HGABMO CCOc1ccc(COC)cc1C[N@H+]1CC[C@H](c2ncncc2-c2noc(C)n2)C1 ZINC000019693723 569346560 /nfs/dbraw/zinc/34/65/60/569346560.db2.gz RBCMPYQBZXTBLN-KRWDZBQOSA-N 1 1 409.490 3.370 40 0 HGABMO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CC[N@@H+](Cc3cn(C)nc3C)C2)cc1 ZINC000019694776 569346645 /nfs/dbraw/zinc/34/66/45/569346645.db2.gz LFOORQZQAGFKQA-GOSISDBHSA-N 1 1 406.534 3.250 40 0 HGABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CC[N@@H+](Cc3cnn(C)c3C)C2)c1 ZINC000019694806 569346696 /nfs/dbraw/zinc/34/66/96/569346696.db2.gz XLIOXHQELHQURR-GOSISDBHSA-N 1 1 406.534 3.250 40 0 HGABMO CC(=O)N1CCC[C@H]1c1nc(C[N@@H+](C)Cc2cccc3ncccc23)cc(N(C)C)n1 ZINC000019760322 569348858 /nfs/dbraw/zinc/34/88/58/569348858.db2.gz BHORSUBFJPSUIG-QFIPXVFZSA-N 1 1 418.545 3.406 40 0 HGABMO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)o1 ZINC000049170077 291241025 /nfs/dbraw/zinc/24/10/25/291241025.db2.gz WKGBDVDBQYYRLF-INIZCTEOSA-N 1 1 413.499 3.138 40 0 biogenic,in-vitro HGABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)o1 ZINC000049170077 291241028 /nfs/dbraw/zinc/24/10/28/291241028.db2.gz WKGBDVDBQYYRLF-INIZCTEOSA-N 1 1 413.499 3.138 40 0 biogenic,in-vitro HGABMO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCCCC2)on1)NCc1cccs1 ZINC000031153366 291242986 /nfs/dbraw/zinc/24/29/86/291242986.db2.gz ZVBITGRAGHRVKW-ROUUACIJSA-N 1 1 416.591 3.197 40 0 biogenic,in-vitro HGABMO O=c1cc(N2C3=[N+](C[C@@]2(O)c2ccc(F)cc2)CCCCC3)[nH]n1-c1ccccc1 ZINC000044033626 526959654 /nfs/dbraw/zinc/95/96/54/526959654.db2.gz DPLZFJJETSTRGS-HSZRJFAPSA-N 1 1 407.469 3.022 40 0 HGABMO CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@H+](C)CC[C@]513 ZINC000004102214 557513740 /nfs/dbraw/zinc/51/37/40/557513740.db2.gz CAHCBJPUTCKATP-NNFUYEGGSA-N 1 1 411.542 3.164 40 0 in-man HGABMO COc1cc(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000408613128 557531251 /nfs/dbraw/zinc/53/12/51/557531251.db2.gz XNLLIYMBBDXPEM-HXUWFJFHSA-N 1 1 410.514 3.375 40 0 HGABMO Cc1nc(N)c2ccc([C@H]3CCC[N@H+](CC(=O)N4CCCc5ccccc54)C3)nc2n1 ZINC000019743313 558263873 /nfs/dbraw/zinc/26/38/73/558263873.db2.gz JUGHZDNJINGKTA-SFHVURJKSA-N 1 1 416.529 3.074 40 0 HGABMO Cc1nc(N)c2ccc([C@H]3CCC[N@@H+](CC(=O)N4CCCc5ccccc54)C3)nc2n1 ZINC000019743313 558263875 /nfs/dbraw/zinc/26/38/75/558263875.db2.gz JUGHZDNJINGKTA-SFHVURJKSA-N 1 1 416.529 3.074 40 0 HGABMO Cc1cccnc1CNC(=O)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019752754 558272082 /nfs/dbraw/zinc/27/20/82/558272082.db2.gz JUKNPXLTVGMJJA-FQEVSTJZSA-N 1 1 401.514 3.490 40 0 HGABMO Cc1sc2nc(C3CC3)n(C3CC[NH+](CC(=O)NC(C)C)CC3)c(=O)c2c1C ZINC000012145318 558336533 /nfs/dbraw/zinc/33/65/33/558336533.db2.gz SDXDYJTZPJYGAU-UHFFFAOYSA-N 1 1 402.564 3.114 40 0 HGABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4ccc5c(c4)OCCO5)[C@H]3C2)cc1 ZINC000012188423 558347338 /nfs/dbraw/zinc/34/73/38/558347338.db2.gz HOKSZFOAEJNLLW-CTNGQTDRSA-N 1 1 408.498 3.203 40 0 HGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020488509 558377010 /nfs/dbraw/zinc/37/70/10/558377010.db2.gz FWKQQYKUHLMKMG-UHFFFAOYSA-N 1 1 418.906 3.136 40 0 HGABMO CCC(=O)N1CCc2cc([C@H](O)C[N@H+]3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036740058 558801458 /nfs/dbraw/zinc/80/14/58/558801458.db2.gz BYBQVVZADSKVRJ-RCZVLFRGSA-N 1 1 424.541 3.011 40 0 HGABMO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4Cl)CC3)ccc21 ZINC000036741200 558801889 /nfs/dbraw/zinc/80/18/89/558801889.db2.gz BTPNGLGWRLBTIF-QHCPKHFHSA-N 1 1 413.949 3.495 40 0 HGABMO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccc(F)cc4F)CC3)ccc21 ZINC000036741207 558802051 /nfs/dbraw/zinc/80/20/51/558802051.db2.gz PCRFBYGWXUSPKQ-HSZRJFAPSA-N 1 1 415.484 3.120 40 0 HGABMO COc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)c1ccc(OC)c(NC(C)=O)c1)CC3 ZINC000019022187 558837898 /nfs/dbraw/zinc/83/78/98/558837898.db2.gz HHHKOTTYTBLEPC-JOCHJYFZSA-N 1 1 409.486 3.235 40 0 HGABMO COc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)c1ccc(OC)c(NC(C)=O)c1)CC3 ZINC000019022187 558837900 /nfs/dbraw/zinc/83/79/00/558837900.db2.gz HHHKOTTYTBLEPC-JOCHJYFZSA-N 1 1 409.486 3.235 40 0 HGABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)on1 ZINC000019124134 558844201 /nfs/dbraw/zinc/84/42/01/558844201.db2.gz PBEAILRRQULQKS-GOSISDBHSA-N 1 1 422.533 3.193 40 0 HGABMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 ZINC000019288090 558861219 /nfs/dbraw/zinc/86/12/19/558861219.db2.gz YVNWBQKBAOJUKE-INIZCTEOSA-N 1 1 411.531 3.190 40 0 HGABMO Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000019291297 558863841 /nfs/dbraw/zinc/86/38/41/558863841.db2.gz ATHZOPWLUAKWTM-XZOQPEGZSA-N 1 1 421.589 3.061 40 0 HGABMO O=C(N[C@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)no1 ZINC000019292874 558864800 /nfs/dbraw/zinc/86/48/00/558864800.db2.gz NHJWJHJETXGPMU-INIZCTEOSA-N 1 1 405.445 3.241 40 0 HGABMO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)n2)cc1 ZINC000019336976 558870311 /nfs/dbraw/zinc/87/03/11/558870311.db2.gz BPWCNQUJHOIATI-KRWDZBQOSA-N 1 1 410.440 3.442 40 0 HGABMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)n2)cc1 ZINC000019336976 558870312 /nfs/dbraw/zinc/87/03/12/558870312.db2.gz BPWCNQUJHOIATI-KRWDZBQOSA-N 1 1 410.440 3.442 40 0 HGABMO Fc1ccc(-n2cccc2C[N@H+](CCN2CCOCC2)Cc2cccnc2)c(F)c1 ZINC000019338662 558870882 /nfs/dbraw/zinc/87/08/82/558870882.db2.gz MOXBOSVACSXNBA-UHFFFAOYSA-N 1 1 412.484 3.485 40 0 HGABMO Fc1ccc(-n2cccc2C[N@@H+](CCN2CCOCC2)Cc2cccnc2)c(F)c1 ZINC000019338662 558870884 /nfs/dbraw/zinc/87/08/84/558870884.db2.gz MOXBOSVACSXNBA-UHFFFAOYSA-N 1 1 412.484 3.485 40 0 HGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000019371998 558879431 /nfs/dbraw/zinc/87/94/31/558879431.db2.gz VSUACZNVJHUADL-JOCHJYFZSA-N 1 1 418.545 3.270 40 0 HGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000019371995 558879565 /nfs/dbraw/zinc/87/95/65/558879565.db2.gz VSUACZNVJHUADL-QFIPXVFZSA-N 1 1 418.545 3.270 40 0 HGABMO O=C1CCC[C@]2(C[N@@H+](Cc3cnc(N4CCCCC4)nc3)C[C@H]2c2ccccc2)N1 ZINC000019373762 558880977 /nfs/dbraw/zinc/88/09/77/558880977.db2.gz ZCJVXQKWIPAFFC-XUZZJYLKSA-N 1 1 405.546 3.105 40 0 HGABMO O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019400066 558882585 /nfs/dbraw/zinc/88/25/85/558882585.db2.gz FAIOMYREOLTCJO-OAQYLSRUSA-N 1 1 421.545 3.081 40 0 HGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Oc2ncccn2)cc1 ZINC000019403946 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O=C(C[N@@H+]1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1)NC1CCCCC1 ZINC000019738950 569348629 /nfs/dbraw/zinc/34/86/29/569348629.db2.gz WUFGHLVCPNVGDZ-INIZCTEOSA-N 1 1 400.498 3.366 40 0 HGABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)cc1 ZINC000035426290 291232067 /nfs/dbraw/zinc/23/20/67/291232067.db2.gz TUBJQQSCBWWSDS-IBGZPJMESA-N 1 1 406.490 3.493 40 0 biogenic,in-vitro HGABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)cc1 ZINC000035426290 291232068 /nfs/dbraw/zinc/23/20/68/291232068.db2.gz TUBJQQSCBWWSDS-IBGZPJMESA-N 1 1 406.490 3.493 40 0 biogenic,in-vitro HGABMO CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2OC)nn1C ZINC000008635304 291234059 /nfs/dbraw/zinc/23/40/59/291234059.db2.gz GZOLYWLIDPVPND-SCTDSRPQSA-N 1 1 412.534 3.410 40 0 biogenic,in-vitro HGABMO CN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCCCC2)on1 ZINC000012482406 291235430 /nfs/dbraw/zinc/23/54/30/291235430.db2.gz CDAJNUUQIPMYQD-VXKWHMMOSA-N 1 1 424.589 3.477 40 0 biogenic,in-vitro HGABMO CN(Cc1nc(C2(O)CC[NH+](Cc3ccccn3)CC2)cs1)Cc1cccnc1 ZINC000225425823 291235700 /nfs/dbraw/zinc/23/57/00/291235700.db2.gz CRNYGACAUPUJAX-UHFFFAOYSA-N 1 1 409.559 3.049 40 0 biogenic,in-vitro HGABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](C2CCN(C)CC2)C3)cc1 ZINC000096111883 291239853 /nfs/dbraw/zinc/23/98/53/291239853.db2.gz MRPSMBGLWKHNPA-GMAHTHKFSA-N 1 1 421.541 3.158 40 0 biogenic,in-vitro HGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000044886602 527385617 /nfs/dbraw/zinc/38/56/17/527385617.db2.gz RMQUCBROEKKLPR-UHFFFAOYSA-N 1 1 418.906 3.136 40 0 HGABMO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(n3cnc4cc(F)ccc43)CC2)c1 ZINC000035314256 557689815 /nfs/dbraw/zinc/68/98/15/557689815.db2.gz CKWUEGBMJVKBFK-UHFFFAOYSA-N 1 1 412.465 3.468 40 0 HGABMO Cc1nc([C@@H]2CCC[N@H+](C3CCOCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000019743898 558264513 /nfs/dbraw/zinc/26/45/13/558264513.db2.gz JNOAGOXEXPKRTP-GOSISDBHSA-N 1 1 424.520 3.372 40 0 HGABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 ZINC000012182150 558343172 /nfs/dbraw/zinc/34/31/72/558343172.db2.gz TWMURSCRWCSUNG-RXVVDRJESA-N 1 1 418.545 3.364 40 0 HGABMO COc1ccc(OC)c(C[NH2+]Cc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 ZINC000012186322 558345535 /nfs/dbraw/zinc/34/55/35/558345535.db2.gz YDVLOIWZNUEDNR-UHFFFAOYSA-N 1 1 404.470 3.329 40 0 HGABMO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000012186613 558345692 /nfs/dbraw/zinc/34/56/92/558345692.db2.gz MUXMQLHLTWRKDA-UHFFFAOYSA-N 1 1 417.481 3.277 40 0 HGABMO COC(=O)c1cc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc(C(=O)OC)c1 ZINC000030942940 558745804 /nfs/dbraw/zinc/74/58/04/558745804.db2.gz SLXWOUXZMMHRKX-UHFFFAOYSA-N 1 1 407.426 3.065 40 0 HGABMO CCCCNS(=O)(=O)c1ccc2nc(NC(=O)C[NH+]3CCCCCC3)sc2c1 ZINC000016740525 558803257 /nfs/dbraw/zinc/80/32/57/558803257.db2.gz DWRQYKMHCKHQEY-UHFFFAOYSA-N 1 1 424.592 3.189 40 0 HGABMO Cc1ccc([C@@H]2C[N@H+](CC(=O)N(C)CCc3ccccn3)C[C@H]2c2csnn2)cc1 ZINC000019211940 558848572 /nfs/dbraw/zinc/84/85/72/558848572.db2.gz WOWUSCLAWIQFNZ-LEWJYISDSA-N 1 1 421.570 3.126 40 0 HGABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N(C)CCc3ccccn3)C[C@H]2c2csnn2)cc1 ZINC000019211940 558848574 /nfs/dbraw/zinc/84/85/74/558848574.db2.gz WOWUSCLAWIQFNZ-LEWJYISDSA-N 1 1 421.570 3.126 40 0 HGABMO Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccnn2[C@@H]2CCCCO2)o1 ZINC000019216444 558850424 /nfs/dbraw/zinc/85/04/24/558850424.db2.gz GIVGMLIVYGZOOQ-QFIPXVFZSA-N 1 1 402.539 3.208 40 0 HGABMO Cc1cccnc1-n1cccc1C[N@@H+](CCCN1CCOCC1)Cc1cccnc1 ZINC000019237891 558856932 /nfs/dbraw/zinc/85/69/32/558856932.db2.gz KWVALBRVCBRGLE-UHFFFAOYSA-N 1 1 405.546 3.300 40 0 HGABMO Cc1nc2cc(C)ccn2c1C[N@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019238151 558857161 /nfs/dbraw/zinc/85/71/61/558857161.db2.gz HICKTCRAJLJVKG-GBXCKJPGSA-N 1 1 403.530 3.375 40 0 HGABMO Cc1[nH+]ccn1[C@H](C)CC(=O)N1[C@@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 ZINC000019287611 558860927 /nfs/dbraw/zinc/86/09/27/558860927.db2.gz GDFBIKVFAVZOJU-WHPUMZMWSA-N 1 1 407.518 3.077 40 0 HGABMO Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000019291298 558863855 /nfs/dbraw/zinc/86/38/55/558863855.db2.gz ATHZOPWLUAKWTM-PKTZIBPZSA-N 1 1 421.589 3.061 40 0 HGABMO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2ccncc2)N1 ZINC000019331025 558868251 /nfs/dbraw/zinc/86/82/51/558868251.db2.gz FOZCHLCVMURYEW-XUZZJYLKSA-N 1 1 415.497 3.302 40 0 HGABMO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019334475 558869418 /nfs/dbraw/zinc/86/94/18/558869418.db2.gz AJBYQTIWVLNOSG-UHFFFAOYSA-N 1 1 416.403 3.331 40 0 HGABMO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000019371990 558879627 /nfs/dbraw/zinc/87/96/27/558879627.db2.gz YNIOUQMUZSAWHY-QFIPXVFZSA-N 1 1 418.545 3.270 40 0 HGABMO O=C(NCC1CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372551 558879788 /nfs/dbraw/zinc/87/97/88/558879788.db2.gz LVOHTHWVKFXQRB-DHIUTWEWSA-N 1 1 424.516 3.299 40 0 HGABMO CC(C)n1cc(C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)cn1 ZINC000019454968 558891558 /nfs/dbraw/zinc/89/15/58/558891558.db2.gz WCPWFWBPFGVMPO-UHFFFAOYSA-N 1 1 424.524 3.398 40 0 HGABMO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019463386 558894311 /nfs/dbraw/zinc/89/43/11/558894311.db2.gz KGTBTABUXNEZMY-LSBZLQRGSA-N 1 1 412.559 3.099 40 0 HGABMO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019463386 558894313 /nfs/dbraw/zinc/89/43/13/558894313.db2.gz KGTBTABUXNEZMY-LSBZLQRGSA-N 1 1 412.559 3.099 40 0 HGABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552272 558915851 /nfs/dbraw/zinc/91/58/51/558915851.db2.gz BQIGBAVPBIFVPF-RRQGHBQHSA-N 1 1 407.465 3.198 40 0 HGABMO Cc1c(-c2cc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+]3CCCCC3)no2)cnn1C ZINC000019554114 558917229 /nfs/dbraw/zinc/91/72/29/558917229.db2.gz JLNXICUGDCDLPX-FQEVSTJZSA-N 1 1 411.481 3.480 40 0 HGABMO COc1ccc(C[N@@H+]2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)cc1 ZINC000019555427 558918353 /nfs/dbraw/zinc/91/83/53/558918353.db2.gz GXRONBSEDFFCPW-VWLOTQADSA-N 1 1 417.509 3.056 40 0 HGABMO COc1ccc(C[N@H+]2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)cc1 ZINC000019555427 558918354 /nfs/dbraw/zinc/91/83/54/558918354.db2.gz GXRONBSEDFFCPW-VWLOTQADSA-N 1 1 417.509 3.056 40 0 HGABMO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@@H+](Cc4cccnc4)[C@@H]3C2)cc1OC ZINC000019560563 558921608 /nfs/dbraw/zinc/92/16/08/558921608.db2.gz PYKTVKKFQOFWAH-LEWJYISDSA-N 1 1 409.530 3.154 40 0 HGABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2cccnc2)cc1OC ZINC000019561454 558922220 /nfs/dbraw/zinc/92/22/20/558922220.db2.gz QYKGLFGXTAEHLU-YADHBBJMSA-N 1 1 417.509 3.497 40 0 HGABMO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCc4c(=O)[nH]c(-c5ccncc5)nc4C3)c2)n1 ZINC000072336840 558937453 /nfs/dbraw/zinc/93/74/53/558937453.db2.gz UEJTXZCPRGSSOT-UHFFFAOYSA-N 1 1 412.497 3.193 40 0 HGABMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCc4c(=O)[nH]c(-c5ccncc5)nc4C3)c2)n1 ZINC000072336840 558937454 /nfs/dbraw/zinc/93/74/54/558937454.db2.gz UEJTXZCPRGSSOT-UHFFFAOYSA-N 1 1 412.497 3.193 40 0 HGABMO COc1ccc2cnc(C3CC[NH+](CC(=O)[C@@H](C)N4CCOCC4)CC3)cc2c1C ZINC000019582707 558937565 /nfs/dbraw/zinc/93/75/65/558937565.db2.gz XKARHYVJAFOIKI-GOSISDBHSA-N 1 1 411.546 3.021 40 0 HGABMO CC(=O)Nc1ccc([C@H](O)C[N@@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000072342780 558940692 /nfs/dbraw/zinc/94/06/92/558940692.db2.gz WEVJDQVWBUVYIA-JOCHJYFZSA-N 1 1 405.502 3.127 40 0 HGABMO COc1ccc(C[N@@H+](Cc2cc3c(cc2C)n(C)c(=O)n3C)C2CCN(C)CC2)cc1 ZINC000019662988 558954002 /nfs/dbraw/zinc/95/40/02/558954002.db2.gz DWSDMSBZBHJXAA-UHFFFAOYSA-N 1 1 422.573 3.290 40 0 HGABMO COc1ccc(CN(Cc2cc3c(cc2C)n(C)c(=O)n3C)C2CC[NH+](C)CC2)cc1 ZINC000019662988 558954004 /nfs/dbraw/zinc/95/40/04/558954004.db2.gz DWSDMSBZBHJXAA-UHFFFAOYSA-N 1 1 422.573 3.290 40 0 HGABMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)[nH+]1 ZINC000072372691 558960375 /nfs/dbraw/zinc/96/03/75/558960375.db2.gz MHAYMQINSDLWSH-QGZVFWFLSA-N 1 1 414.491 3.054 40 0 HGABMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cc(Nc2cnccn2)cc(C)[nH+]1 ZINC000072372690 558960414 /nfs/dbraw/zinc/96/04/14/558960414.db2.gz MHAYMQINSDLWSH-KRWDZBQOSA-N 1 1 414.491 3.054 40 0 HGABMO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000072373100 558960914 /nfs/dbraw/zinc/96/09/14/558960914.db2.gz CYTBWQLIRQCWPO-CTNGQTDRSA-N 1 1 422.573 3.021 40 0 HGABMO Cc1cc(Nc2ncccc2C)cc([C@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)n1 ZINC000072374864 558963037 /nfs/dbraw/zinc/96/30/37/558963037.db2.gz XVGBFDDQVYPTIF-FQEVSTJZSA-N 1 1 423.561 3.265 40 0 HGABMO Cc1cc(C[N@H+]2CCC[C@@]3(CCCN3C(=O)COc3ccccc3C)CC2)n(C)n1 ZINC000585100113 559023819 /nfs/dbraw/zinc/02/38/19/559023819.db2.gz FVJDDEWACKOBFN-XMMPIXPASA-N 1 1 410.562 3.463 40 0 HGABMO C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C1 ZINC000585104475 559026990 /nfs/dbraw/zinc/02/69/90/559026990.db2.gz OZZNCBPKNORVDN-NZQKXSOJSA-N 1 1 413.606 3.425 40 0 HGABMO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](C[N@H+]3C[C@H](C)c3ccccc3)C2)c1 ZINC000585107932 559029691 /nfs/dbraw/zinc/02/96/91/559029691.db2.gz GQDSFXBAETZEBS-LQBOVUBWSA-N 1 1 400.544 3.194 40 0 HGABMO O=C(c1ccnc(F)c1)N1CCO[C@H](c2[nH+]cn3cc(-c4ccncc4)ccc23)C1 ZINC000585113158 559031132 /nfs/dbraw/zinc/03/11/32/559031132.db2.gz QQMMOKDSVXSMAO-IBGZPJMESA-N 1 1 403.417 3.144 40 0 HGABMO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(Cc2ccoc2)CC3)C1=O ZINC000096036456 559090219 /nfs/dbraw/zinc/09/02/19/559090219.db2.gz ZKYZCIXRMVRZRH-DEOSSOPVSA-N 1 1 408.546 3.011 40 0 HGABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2ccoc2)CC3)C1=O ZINC000096036456 559090221 /nfs/dbraw/zinc/09/02/21/559090221.db2.gz ZKYZCIXRMVRZRH-DEOSSOPVSA-N 1 1 408.546 3.011 40 0 HGABMO CC(C)C[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 ZINC000096145882 559097664 /nfs/dbraw/zinc/09/76/64/559097664.db2.gz 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568974045 /nfs/dbraw/zinc/97/40/45/568974045.db2.gz RYJUICXSKZAXRR-GFCCVEGCSA-N 1 1 403.324 3.472 40 0 HGABMO C[NH+](C)CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000329053935 568974670 /nfs/dbraw/zinc/97/46/70/568974670.db2.gz VIJBSORHHUPWIF-UHFFFAOYSA-N 1 1 410.227 3.069 40 0 HGABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 ZINC000248150541 569316614 /nfs/dbraw/zinc/31/66/14/569316614.db2.gz TWMURSCRWCSUNG-GHTZIAJQSA-N 1 1 418.545 3.364 40 0 HGABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)[nH]c(=O)c2C1 ZINC000253599073 569318379 /nfs/dbraw/zinc/31/83/79/569318379.db2.gz KPUFZVQSVZKBBN-RKVPGOIHSA-N 1 1 412.559 3.430 40 0 HGABMO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019530031 569345636 /nfs/dbraw/zinc/34/56/36/569345636.db2.gz ZFGKKZFWXMIMPI-WGGBDISSSA-N 1 1 418.509 3.391 40 0 HGABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000019694741 569346620 /nfs/dbraw/zinc/34/66/20/569346620.db2.gz WFDUVGJFNHQQHM-OAQYLSRUSA-N 1 1 415.541 3.341 40 0 HGABMO COc1ccccc1CNC(=O)c1cc([C@@H]2CC[N@@H+](Cc3ccccc3F)C2)n[nH]1 ZINC000019707785 569347951 /nfs/dbraw/zinc/34/79/51/569347951.db2.gz ZHZNUVBGTBDAEK-GOSISDBHSA-N 1 1 408.477 3.477 40 0 HGABMO Cc1ncc(C(=O)NCc2cnn(-c3ccccc3)c2[C@@H]2CC[N@H+](C(C)C)C2)c(C)n1 ZINC000019707995 569348083 /nfs/dbraw/zinc/34/80/83/569348083.db2.gz FXDGCMUFALLSAX-LJQANCHMSA-N 1 1 418.545 3.407 40 0 HGABMO COCCNC(=O)c1cc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)nc2ccccc21 ZINC000019762276 569429641 /nfs/dbraw/zinc/42/96/41/569429641.db2.gz CQQOVFKJCPOFOM-DEOSSOPVSA-N 1 1 419.525 3.227 40 0 HGABMO COCCNC(=O)c1cc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)nc2ccccc21 ZINC000019762276 569429642 /nfs/dbraw/zinc/42/96/42/569429642.db2.gz CQQOVFKJCPOFOM-DEOSSOPVSA-N 1 1 419.525 3.227 40 0 HGABMO COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](Cc3ccc(F)cc3)CC2)cs1 ZINC000225422848 291237439 /nfs/dbraw/zinc/23/74/39/291237439.db2.gz OXMMBUXJSIFUDP-LJQANCHMSA-N 1 1 419.566 3.377 40 0 biogenic,in-vitro HGABMO CCOc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1 ZINC000020177803 521382803 /nfs/dbraw/zinc/38/28/03/521382803.db2.gz VAVHKTJJNXADOB-OAQYLSRUSA-N 1 1 418.497 3.473 40 0 HGABMO CCn1ccnc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000019756392 558274409 /nfs/dbraw/zinc/27/44/09/558274409.db2.gz LAJIACJKIAFENS-UHFFFAOYSA-N 1 1 424.524 3.483 40 0 HGABMO COc1cccc(CNc2cc(CC3CCN(C(=O)[C@H]4CCCO4)CC3)[nH+]c(C)n2)c1 ZINC000019758459 558275094 /nfs/dbraw/zinc/27/50/94/558275094.db2.gz NRXFNAIJXRIXEJ-JOCHJYFZSA-N 1 1 424.545 3.366 40 0 HGABMO COc1ccc(NC(=O)c2cnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)nc2C)cc1 ZINC000019759162 558275592 /nfs/dbraw/zinc/27/55/92/558275592.db2.gz DJZIYKYZVHFVCX-SFHVURJKSA-N 1 1 403.486 3.430 40 0 HGABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766285 558278494 /nfs/dbraw/zinc/27/84/94/558278494.db2.gz CKBPLDHMLWTILE-OAQYLSRUSA-N 1 1 401.514 3.490 40 0 HGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3ccncc3C)C1)O2 ZINC000012135348 558333815 /nfs/dbraw/zinc/33/38/15/558333815.db2.gz NWGAKYWNWYAROQ-YKSBVNFPSA-N 1 1 409.530 3.420 40 0 HGABMO Cc1sc2nc(C(C)C)n(C3CC[NH+](CC(=O)NC(C)C)CC3)c(=O)c2c1C ZINC000012145446 558336675 /nfs/dbraw/zinc/33/66/75/558336675.db2.gz RESJJBANTLEXRE-UHFFFAOYSA-N 1 1 404.580 3.360 40 0 HGABMO COc1ccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000020181778 558344411 /nfs/dbraw/zinc/34/44/11/558344411.db2.gz RUGQVXURULICTI-UHFFFAOYSA-N 1 1 406.486 3.022 40 0 HGABMO Cc1ccc([C@@H](O)C[NH+]2CCN([C@H](c3nccn3C)c3ccccc3)CC2)c(C)c1 ZINC000022887468 558518567 /nfs/dbraw/zinc/51/85/67/558518567.db2.gz NXLLLTKHHCAZIL-ZEQRLZLVSA-N 1 1 404.558 3.478 40 0 HGABMO Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000019237765 558856991 /nfs/dbraw/zinc/85/69/91/558856991.db2.gz NNJJNHRGDFZQEF-HSZRJFAPSA-N 1 1 420.557 3.052 40 0 HGABMO Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019239485 558858105 /nfs/dbraw/zinc/85/81/05/558858105.db2.gz ACMLHDGPYOCSDW-OAQYLSRUSA-N 1 1 421.545 3.141 40 0 HGABMO O[C@@H](C[N@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000019332954 558868894 /nfs/dbraw/zinc/86/88/94/558868894.db2.gz FXGUBIVSHDAYFI-REWPJTCUSA-N 1 1 401.478 3.394 40 0 HGABMO O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019337547 558870670 /nfs/dbraw/zinc/87/06/70/558870670.db2.gz YCKXGBNOGUBPFC-NRFANRHFSA-N 1 1 421.545 3.081 40 0 HGABMO c1cncc(C[N@H+]2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)c1 ZINC000019339025 558870797 /nfs/dbraw/zinc/87/07/97/558870797.db2.gz LHKQVTJNOUOCKG-OAQYLSRUSA-N 1 1 416.529 3.150 40 0 HGABMO CC(C)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019447359 558886530 /nfs/dbraw/zinc/88/65/30/558886530.db2.gz YXYSBGYGULFPND-SFTDATJTSA-N 1 1 407.562 3.065 40 0 HGABMO CCc1nc(N2CCN(C(=O)c3ccc(F)c(-n4nc(C)cc4C)c3)CC2)cc(C)[nH+]1 ZINC000019523143 558904163 /nfs/dbraw/zinc/90/41/63/558904163.db2.gz NAPGIHDPTGXINF-UHFFFAOYSA-N 1 1 422.508 3.251 40 0 HGABMO CCc1ncc(C[N@H+]2CCC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cn1 ZINC000019523367 558904588 /nfs/dbraw/zinc/90/45/88/558904588.db2.gz RPHQQOASVSFMKS-VWLOTQADSA-N 1 1 415.541 3.411 40 0 HGABMO Cc1sc2ncn(CC3(O)CC[NH+](Cc4cc(F)ccc4F)CC3)c(=O)c2c1C ZINC000019561520 558922247 /nfs/dbraw/zinc/92/22/47/558922247.db2.gz YEYAJXZYDYAUBL-UHFFFAOYSA-N 1 1 419.497 3.380 40 0 HGABMO COc1ccc2cnc(C3CC[NH+](CC(=O)[C@H](C)N4CCOCC4)CC3)cc2c1C ZINC000019582710 558937628 /nfs/dbraw/zinc/93/76/28/558937628.db2.gz XKARHYVJAFOIKI-SFHVURJKSA-N 1 1 411.546 3.021 40 0 HGABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019591353 558941905 /nfs/dbraw/zinc/94/19/05/558941905.db2.gz XFZFXKAKNNQKLP-DEOSSOPVSA-N 1 1 401.514 3.110 40 0 HGABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019593235 558944357 /nfs/dbraw/zinc/94/43/57/558944357.db2.gz HYCNNXBSAHFYPV-VGSWGCGISA-N 1 1 403.473 3.466 40 0 HGABMO CNc1cc([C@H]2CCC[N@@H+](Cc3ccc(C)cc3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370147 558956392 /nfs/dbraw/zinc/95/63/92/558956392.db2.gz OOQPRKRKEVORNU-SFHVURJKSA-N 1 1 411.550 3.193 40 0 HGABMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000019689028 558958519 /nfs/dbraw/zinc/95/85/19/558958519.db2.gz FVAIBMIJUBDRHZ-SFHVURJKSA-N 1 1 420.557 3.428 40 0 HGABMO COc1ccc(NC(=O)C[NH+]2CCC(c3ccc(Nc4ncccn4)cn3)CC2)cc1 ZINC000072374175 558961455 /nfs/dbraw/zinc/96/14/55/558961455.db2.gz YSMSPQZHEKENEH-UHFFFAOYSA-N 1 1 418.501 3.442 40 0 HGABMO Cc1cccnc1Nc1cccc([C@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072376034 558964996 /nfs/dbraw/zinc/96/49/96/558964996.db2.gz SYZBBROGPPMUMK-IBGZPJMESA-N 1 1 416.529 3.419 40 0 HGABMO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072376034 558964997 /nfs/dbraw/zinc/96/49/97/558964997.db2.gz SYZBBROGPPMUMK-IBGZPJMESA-N 1 1 416.529 3.419 40 0 HGABMO CCOc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1O ZINC000072393226 558972683 /nfs/dbraw/zinc/97/26/83/558972683.db2.gz VRWUACIMVQENBK-KRWDZBQOSA-N 1 1 406.486 3.316 40 0 HGABMO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@H+]([C@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000072395783 558974825 /nfs/dbraw/zinc/97/48/25/558974825.db2.gz QTGUMDXHONAXJW-CRICUBBOSA-N 1 1 424.541 3.464 40 0 HGABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)[nH]c(=O)c2C1 ZINC000072398805 558976203 /nfs/dbraw/zinc/97/62/03/558976203.db2.gz KPUFZVQSVZKBBN-DAYGRLMNSA-N 1 1 412.559 3.018 40 0 HGABMO CCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)CC1 ZINC000257229616 558992333 /nfs/dbraw/zinc/99/23/33/558992333.db2.gz FYTYAMIUSQUTMM-WGSAOQKQSA-N 1 1 422.573 3.422 40 0 HGABMO CN(C)C(=O)C[N@H+]1CCC[C@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 ZINC000585100772 559025422 /nfs/dbraw/zinc/02/54/22/559025422.db2.gz WCMFSOKUSAMFIC-DEOSSOPVSA-N 1 1 409.530 3.094 40 0 HGABMO COCC[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1sc(C)nc1C)CC2)C(C)C ZINC000585105124 559027643 /nfs/dbraw/zinc/02/76/43/559027643.db2.gz YSDZMDFVZBNLRH-SFHVURJKSA-N 1 1 409.596 3.128 40 0 HGABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106161 559028462 /nfs/dbraw/zinc/02/84/62/559028462.db2.gz TVLXBFUWLKLXAQ-OIISXLGYSA-N 1 1 421.944 3.178 40 0 HGABMO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@@H]21 ZINC000585109792 559029501 /nfs/dbraw/zinc/02/95/01/559029501.db2.gz UQHPIYOKBAGSGF-CNNODRBYSA-N 1 1 408.452 3.399 40 0 HGABMO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000096216020 559101791 /nfs/dbraw/zinc/10/17/91/559101791.db2.gz RWDRVXBKEZEZGL-FQEVSTJZSA-N 1 1 407.511 3.107 40 0 HGABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000096216020 559101793 /nfs/dbraw/zinc/10/17/93/559101793.db2.gz RWDRVXBKEZEZGL-FQEVSTJZSA-N 1 1 407.511 3.107 40 0 HGABMO O=S(=O)(c1cccs1)N1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216352 559101848 /nfs/dbraw/zinc/10/18/48/559101848.db2.gz MAAGRQQYLGEBJU-HXUWFJFHSA-N 1 1 406.573 3.304 40 0 HGABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)Cc2ccccc2)CC3)C1=O ZINC000096262640 559106650 /nfs/dbraw/zinc/10/66/50/559106650.db2.gz LTTQAAHTEYQNJP-VWLOTQADSA-N 1 1 411.590 3.048 40 0 HGABMO COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000585262205 559110463 /nfs/dbraw/zinc/11/04/63/559110463.db2.gz QBTCGPYRYXMGDH-YADARESESA-N 1 1 407.514 3.080 40 0 HGABMO COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000585262205 559110465 /nfs/dbraw/zinc/11/04/65/559110465.db2.gz QBTCGPYRYXMGDH-YADARESESA-N 1 1 407.514 3.080 40 0 HGABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](CC(=O)NCc3ccc(F)cc3)C2)c1 ZINC000585272111 559117894 /nfs/dbraw/zinc/11/78/94/559117894.db2.gz FSGQOKLUWRQMGT-JOCHJYFZSA-N 1 1 420.912 3.310 40 0 HGABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCc3ccc(F)cc3)C2)c1 ZINC000585272111 559117896 /nfs/dbraw/zinc/11/78/96/559117896.db2.gz FSGQOKLUWRQMGT-JOCHJYFZSA-N 1 1 420.912 3.310 40 0 HGABMO Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223650 559169752 /nfs/dbraw/zinc/16/97/52/559169752.db2.gz DGLJGNQRSLGLLN-UHFFFAOYSA-N 1 1 406.527 3.472 40 0 HGABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@H](O)COc3ccccc3)cc2)n1 ZINC000257267113 559284955 /nfs/dbraw/zinc/28/49/55/559284955.db2.gz MGAOWTPDGPKIMD-QFIPXVFZSA-N 1 1 409.530 3.451 40 0 HGABMO C[C@@]1(O)CC[N@H+](Cc2ccc3c(c2)OCO3)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289753 560031731 /nfs/dbraw/zinc/03/17/31/560031731.db2.gz DBOJTOPMGDGMKL-WPFOTENUSA-N 1 1 408.498 3.008 40 0 biogenic,in-vitro HGABMO C[C@@]1(O)CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289753 560031732 /nfs/dbraw/zinc/03/17/32/560031732.db2.gz DBOJTOPMGDGMKL-WPFOTENUSA-N 1 1 408.498 3.008 40 0 biogenic,in-vitro HGABMO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2ccc(C(F)(F)F)cc2C(=O)N3C)cc1 ZINC000514288722 560034091 /nfs/dbraw/zinc/03/40/91/560034091.db2.gz XVZPSZWMROAMGJ-MJGOQNOKSA-N 1 1 406.404 3.431 40 0 biogenic,in-vitro HGABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2ccc(C(F)(F)F)cc2C(=O)N3C)cc1 ZINC000514288722 560034092 /nfs/dbraw/zinc/03/40/92/560034092.db2.gz XVZPSZWMROAMGJ-MJGOQNOKSA-N 1 1 406.404 3.431 40 0 biogenic,in-vitro HGABMO CCCc1onc(C)c1C(=O)N1CC2(C1)CC[C@@H](C[N@@H+](C)Cc1cccnc1)CO2 ZINC000575402525 560546698 /nfs/dbraw/zinc/54/66/98/560546698.db2.gz CACGUGMMQKQAQO-IBGZPJMESA-N 1 1 412.534 3.084 40 0 HGABMO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CN5CC5)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000118916202 568420332 /nfs/dbraw/zinc/42/03/32/568420332.db2.gz KDZDNXAVYMXPKT-QIILRDBWSA-N 1 1 402.623 3.123 40 0 HGABMO CC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000020969811 568460888 /nfs/dbraw/zinc/46/08/88/568460888.db2.gz YFSIOSDXLSRXMG-UHFFFAOYSA-N 1 1 402.951 3.495 40 0 HGABMO COc1cccc(-c2noc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599865 568519997 /nfs/dbraw/zinc/51/99/97/568519997.db2.gz SOGPNFKEDWBNRL-SFHVURJKSA-N 1 1 424.476 3.413 40 0 HGABMO COC(=O)CSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000222926897 568531186 /nfs/dbraw/zinc/53/11/86/568531186.db2.gz QYVSQYKYUGOYIW-CYBMUJFWSA-N 1 1 420.560 3.287 40 0 HGABMO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc(C)c1Cl ZINC000224732944 568594167 /nfs/dbraw/zinc/59/41/67/568594167.db2.gz ZEHOBYIHQKERKY-UHFFFAOYSA-N 1 1 402.922 3.484 40 0 HGABMO CCn1c(CCC(=O)N(C)[C@@H]2CCC[C@@H](n3cc[nH+]c3C)[C@@H]2O)nc2ccccc21 ZINC000257211480 568779345 /nfs/dbraw/zinc/77/93/45/568779345.db2.gz BZAJJOIZTHNTTB-TXTKFYIRSA-N 1 1 409.534 3.107 40 0 HGABMO COCCN1C(=O)Cc2c1nc([C@@]1(C)CCC[N@@H+](Cc3sccc3C)C1)nc2C ZINC000257211790 568779579 /nfs/dbraw/zinc/77/95/79/568779579.db2.gz CAKPGWUQPMZCMX-QFIPXVFZSA-N 1 1 414.575 3.244 40 0 HGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(S(=O)(=O)c1cccnc1)[C@H]2Cc1ccccc1 ZINC000257261292 568793291 /nfs/dbraw/zinc/79/32/91/568793291.db2.gz LGOZKAQNANQFTE-FADBTOOJSA-N 1 1 411.571 3.329 40 0 HGABMO CCN1CC[N@H+](Cc2[nH]cnc2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257264224 568794003 /nfs/dbraw/zinc/79/40/03/568794003.db2.gz LTLVIWURYDMSAT-NRFANRHFSA-N 1 1 403.530 3.303 40 0 HGABMO CCN1CC[N@@H+](Cc2[nH]cnc2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257264224 568794004 /nfs/dbraw/zinc/79/40/04/568794004.db2.gz LTLVIWURYDMSAT-NRFANRHFSA-N 1 1 403.530 3.303 40 0 HGABMO COc1cc2c(cc1C[N@H+]1CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C1)OCCCO2 ZINC000257319225 568810089 /nfs/dbraw/zinc/81/00/89/568810089.db2.gz VRJRGUXSSZWPTA-INIZCTEOSA-N 1 1 421.501 3.213 40 0 HGABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23C[N@H+](Cc2ccc4[nH]ccc4c2)CCO3)cn1 ZINC000306125169 568887876 /nfs/dbraw/zinc/88/78/76/568887876.db2.gz CIFZPOIZLDEIOL-VWNXMTODSA-N 1 1 419.529 3.210 40 0 HGABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23C[N@@H+](Cc2ccc4[nH]ccc4c2)CCO3)cn1 ZINC000306125169 568887879 /nfs/dbraw/zinc/88/78/79/568887879.db2.gz CIFZPOIZLDEIOL-VWNXMTODSA-N 1 1 419.529 3.210 40 0 HGABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23C[N@H+](Cc2ccc4[nH]ccc4c2)CCO3)cn1 ZINC000306125166 568887890 /nfs/dbraw/zinc/88/78/90/568887890.db2.gz CIFZPOIZLDEIOL-ISKFKSNPSA-N 1 1 419.529 3.210 40 0 HGABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23C[N@@H+](Cc2ccc4[nH]ccc4c2)CCO3)cn1 ZINC000306125166 568887892 /nfs/dbraw/zinc/88/78/92/568887892.db2.gz CIFZPOIZLDEIOL-ISKFKSNPSA-N 1 1 419.529 3.210 40 0 HGABMO COCC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1cccc(-c3ccncc3)c1)CCO2 ZINC000306125310 568888240 /nfs/dbraw/zinc/88/82/40/568888240.db2.gz CMFDUUOJNKVWAL-VWNXMTODSA-N 1 1 409.530 3.025 40 0 HGABMO COCC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1cccc(-c3ccncc3)c1)CCO2 ZINC000306125310 568888242 /nfs/dbraw/zinc/88/82/42/568888242.db2.gz CMFDUUOJNKVWAL-VWNXMTODSA-N 1 1 409.530 3.025 40 0 HGABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2cccs2)C[C@]12CCCN(Cc1cccnc1)C2=O ZINC000306126110 568888855 /nfs/dbraw/zinc/88/88/55/568888855.db2.gz DNCIVUHKCKJDPN-NZQKXSOJSA-N 1 1 421.570 3.285 40 0 HGABMO c1cnc2c(c1)N(Cc1cccnc1)C[C@@]21CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306126889 568889665 /nfs/dbraw/zinc/88/96/65/568889665.db2.gz FICHGSWVHOYGGL-DEOSSOPVSA-N 1 1 400.482 3.369 40 0 HGABMO Cc1cc(C)cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306128935 568891713 /nfs/dbraw/zinc/89/17/13/568891713.db2.gz HORGDPWUYAHXHE-UXHICEINSA-N 1 1 401.514 3.452 40 0 HGABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3Cl)C[C@H]1C2 ZINC000306131037 568893428 /nfs/dbraw/zinc/89/34/28/568893428.db2.gz JVFRVUVEBYCXLK-SJORKVTESA-N 1 1 407.905 3.488 40 0 HGABMO Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4cncn4C)nc23)c1 ZINC000306132618 568894829 /nfs/dbraw/zinc/89/48/29/568894829.db2.gz LNXAELIPEHSISL-DEOSSOPVSA-N 1 1 418.545 3.113 40 0 HGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccco3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133218 568895361 /nfs/dbraw/zinc/89/53/61/568895361.db2.gz MFKDTSHKJNOXDP-ZJSXRUAMSA-N 1 1 419.529 3.470 40 0 HGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306136293 568898227 /nfs/dbraw/zinc/89/82/27/568898227.db2.gz PPAOJJOCTQWQIC-HXUWFJFHSA-N 1 1 401.518 3.455 40 0 HGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cnn(C(C)C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136925 568898601 /nfs/dbraw/zinc/89/86/01/568898601.db2.gz QGVMCKNBZDVLLY-XUZZJYLKSA-N 1 1 424.593 3.470 40 0 HGABMO COCCN1CC[C@@]2(C[N@@H+](Cc3sccc3C)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306136873 568898660 /nfs/dbraw/zinc/89/86/60/568898660.db2.gz QFJZHKJMBUTWRL-GCJKJVERSA-N 1 1 416.591 3.298 40 0 HGABMO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000306137086 568898924 /nfs/dbraw/zinc/89/89/24/568898924.db2.gz QLGFBIAQLNRSEE-JOCHJYFZSA-N 1 1 408.527 3.231 40 0 HGABMO c1ccc(CN2C[C@@]3(CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)c3ncccc32)nc1 ZINC000306137965 568899785 /nfs/dbraw/zinc/89/97/85/568899785.db2.gz RLFAQFUXVPTBLP-DEOSSOPVSA-N 1 1 400.482 3.369 40 0 HGABMO COC(=O)c1ccc2c(c1)CCN(c1cc(C(C)C)[nH+]c(N[C@@H](CO)C(C)C)n1)C2 ZINC000328994523 568971808 /nfs/dbraw/zinc/97/18/08/568971808.db2.gz JFGSEAQFLMRVGH-FQEVSTJZSA-N 1 1 412.534 3.378 40 0 HGABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]c(C(C)C)n1 ZINC000329024498 568973311 /nfs/dbraw/zinc/97/33/11/568973311.db2.gz PAHABTBNOVCCDW-CQSZACIVSA-N 1 1 403.552 3.021 40 0 HGABMO OCCCNc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C2CC2)n1 ZINC000329065457 568975247 /nfs/dbraw/zinc/97/52/47/568975247.db2.gz XRVBTHWUAHOZOV-UHFFFAOYSA-N 1 1 403.324 3.474 40 0 HGABMO COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000001222754 569049005 /nfs/dbraw/zinc/04/90/05/569049005.db2.gz YLUAFORFLJFDMP-KUHUBIRLSA-N 1 1 410.522 3.100 40 0 HGABMO COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000001222754 569049006 /nfs/dbraw/zinc/04/90/06/569049006.db2.gz YLUAFORFLJFDMP-KUHUBIRLSA-N 1 1 410.522 3.100 40 0 HGABMO C[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000008091795 569339459 /nfs/dbraw/zinc/33/94/59/569339459.db2.gz HHNYTYOBQDSRGT-UHFFFAOYSA-N 1 1 403.935 3.280 40 0 HGABMO Cc1cc2nc([C@@H]3CCC[N@H+](C[C@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 ZINC000012185924 569344601 /nfs/dbraw/zinc/34/46/01/569344601.db2.gz CSUSDDAYRNWWRA-CRAIPNDOSA-N 1 1 407.518 3.407 40 0 HGABMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 ZINC000012184561 569344613 /nfs/dbraw/zinc/34/46/13/569344613.db2.gz WDTZTVGVLFXGIB-BFYDXBDKSA-N 1 1 405.926 3.389 40 0 HGABMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 ZINC000012184561 569344614 /nfs/dbraw/zinc/34/46/14/569344614.db2.gz WDTZTVGVLFXGIB-BFYDXBDKSA-N 1 1 405.926 3.389 40 0 HGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3ncccc3C)C1)O2 ZINC000012135361 569344652 /nfs/dbraw/zinc/34/46/52/569344652.db2.gz MPNYCVGVKOFFCV-YADARESESA-N 1 1 409.530 3.420 40 0 HGABMO Cc1c2ccccc2oc1C[N@H+]1Cc2cn(C)nc2[C@@H](C(=O)NCc2ccccn2)C1 ZINC000019701377 569347328 /nfs/dbraw/zinc/34/73/28/569347328.db2.gz DQNFLLJACCVLTJ-FQEVSTJZSA-N 1 1 415.497 3.286 40 0 HGABMO Cc1c2ccccc2oc1C[N@@H+]1Cc2cn(C)nc2[C@@H](C(=O)NCc2ccccn2)C1 ZINC000019701377 569347329 /nfs/dbraw/zinc/34/73/29/569347329.db2.gz DQNFLLJACCVLTJ-FQEVSTJZSA-N 1 1 415.497 3.286 40 0 HGABMO COc1ccccc1CNC(=O)c1cc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000019707789 569347941 /nfs/dbraw/zinc/34/79/41/569347941.db2.gz KRMFZNQKCMIXNR-SFHVURJKSA-N 1 1 408.477 3.477 40 0 HGABMO CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nn1C ZINC000008635361 291233062 /nfs/dbraw/zinc/23/30/62/291233062.db2.gz BMKMVLWITVGGTB-TYPHKJRUSA-N 1 1 424.593 3.039 40 0 biogenic,in-vitro HGABMO CCC(CC)C(=O)N1CCC(O)(c2csc(C[N@@H+]3CCC[C@@H]3COC)n2)CC1 ZINC000225466720 291233632 /nfs/dbraw/zinc/23/36/32/291233632.db2.gz FAZDUCJBHJTGOR-QGZVFWFLSA-N 1 1 409.596 3.000 40 0 biogenic,in-vitro HGABMO CCC(CC)C(=O)N1CCC(O)(c2csc(C[N@H+]3CCC[C@@H]3COC)n2)CC1 ZINC000225466720 291233635 /nfs/dbraw/zinc/23/36/35/291233635.db2.gz FAZDUCJBHJTGOR-QGZVFWFLSA-N 1 1 409.596 3.000 40 0 biogenic,in-vitro HGABMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000045583330 523882786 /nfs/dbraw/zinc/88/27/86/523882786.db2.gz AYYSTUNXACXIMH-UHFFFAOYSA-N 1 1 402.292 3.089 40 0 HGABMO Cc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000043277699 525131455 /nfs/dbraw/zinc/13/14/55/525131455.db2.gz KIEKGYIOMHWPFV-UHFFFAOYSA-N 1 1 403.530 3.474 40 0 HGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000044883133 527385388 /nfs/dbraw/zinc/38/53/88/527385388.db2.gz SEEUPPLOHBIYSI-UHFFFAOYSA-N 1 1 418.906 3.136 40 0 HGABMO CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@H+](C)CC[C@]513 ZINC000005561290 557661982 /nfs/dbraw/zinc/66/19/82/557661982.db2.gz CAHCBJPUTCKATP-FAWZKKEFSA-N 1 1 411.542 3.164 40 0 HGABMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000019746105 558266015 /nfs/dbraw/zinc/26/60/15/558266015.db2.gz ONLAIPRKEWJEBS-CQSZACIVSA-N 1 1 423.439 3.354 40 0 HGABMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000019746105 558266018 /nfs/dbraw/zinc/26/60/18/558266018.db2.gz ONLAIPRKEWJEBS-CQSZACIVSA-N 1 1 423.439 3.354 40 0 HGABMO Cc1ccc2occ(C[N@@H+]3C[C@H]4[C@H](CC[C@@]45Nc4ccccc4C(=O)N5)C3)c(=O)c2c1 ZINC000012086059 558321630 /nfs/dbraw/zinc/32/16/30/558321630.db2.gz IINMONJLUSTBPW-BXEPQMNJSA-N 1 1 415.493 3.495 40 0 HGABMO Cc1sc2nc(C(C)C)n(C3CC[NH+](CC(=O)NC4CC4)CC3)c(=O)c2c1C ZINC000012145445 558336713 /nfs/dbraw/zinc/33/67/13/558336713.db2.gz XTYWPUBOQBDUPT-UHFFFAOYSA-N 1 1 402.564 3.114 40 0 HGABMO COc1ccc(OC)c(C[NH2+]Cc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)c1 ZINC000012290164 558365665 /nfs/dbraw/zinc/36/56/65/558365665.db2.gz IRSBGUPBMPWQOO-UHFFFAOYSA-N 1 1 422.460 3.468 40 0 HGABMO CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCN3CCCC3)cc12 ZINC000022916081 558521680 /nfs/dbraw/zinc/52/16/80/558521680.db2.gz RWOQJQLOYKBJTQ-UHFFFAOYSA-N 1 1 411.525 3.336 40 0 HGABMO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc21 ZINC000036741245 558802082 /nfs/dbraw/zinc/80/20/82/558802082.db2.gz WPKAAKNLBBEBHW-QHCPKHFHSA-N 1 1 411.521 3.371 40 0 HGABMO COc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000038848990 558818466 /nfs/dbraw/zinc/81/84/66/558818466.db2.gz ZZALJISUWMLLLJ-IBGZPJMESA-N 1 1 400.494 3.414 40 0 HGABMO COc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000038848989 558818490 /nfs/dbraw/zinc/81/84/90/558818490.db2.gz ZZALJISUWMLLLJ-LJQANCHMSA-N 1 1 400.494 3.414 40 0 HGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000038850198 558818746 /nfs/dbraw/zinc/81/87/46/558818746.db2.gz OASUBUAVEFYXOF-UHFFFAOYSA-N 1 1 401.470 3.290 40 0 HGABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cn(C)c4ccccc24)C3)c(OC)n1 ZINC000019290440 558863024 /nfs/dbraw/zinc/86/30/24/558863024.db2.gz FLQMGEYOBBVKKC-QLCVBSLISA-N 1 1 422.529 3.105 40 0 HGABMO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+]3C3CCCCC3)[nH]c(=O)c2C1 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406.486 3.388 40 0 HGABMO COc1cccc(C[N@@H+]2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)c1 ZINC000019565390 558925509 /nfs/dbraw/zinc/92/55/09/558925509.db2.gz YSBZYRZUYRKBHZ-VWLOTQADSA-N 1 1 417.509 3.056 40 0 HGABMO COc1cccc(C[N@H+]2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)c1 ZINC000019565390 558925511 /nfs/dbraw/zinc/92/55/11/558925511.db2.gz YSBZYRZUYRKBHZ-VWLOTQADSA-N 1 1 417.509 3.056 40 0 HGABMO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)no2)c1 ZINC000019565644 558925518 /nfs/dbraw/zinc/92/55/18/558925518.db2.gz ALTMLUWURLRLNJ-IBGZPJMESA-N 1 1 406.486 3.388 40 0 HGABMO Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019566121 558925815 /nfs/dbraw/zinc/92/58/15/558925815.db2.gz WCSXLYQSEGSFDW-OAHLLOKOSA-N 1 1 406.486 3.245 40 0 HGABMO Cc1cc(C)n(-c2cccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)c2)n1 ZINC000019574783 558932368 /nfs/dbraw/zinc/93/23/68/558932368.db2.gz RKFIXEUMYWRLPM-UHFFFAOYSA-N 1 1 405.546 3.219 40 0 HGABMO 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CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)c2)cn1 ZINC000072353655 558950591 /nfs/dbraw/zinc/95/05/91/558950591.db2.gz CDCGJMZTTBZIKR-LJQANCHMSA-N 1 1 418.545 3.233 40 0 HGABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+]2CCc2ccc(F)cc2)c1 ZINC000072354834 558951997 /nfs/dbraw/zinc/95/19/97/558951997.db2.gz GDWUNZBNZFXNAI-FQEVSTJZSA-N 1 1 405.477 3.343 40 0 HGABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)CC1 ZINC000072371677 558958725 /nfs/dbraw/zinc/95/87/25/558958725.db2.gz WLELJOHRGWUQHE-KRWDZBQOSA-N 1 1 416.953 3.485 40 0 HGABMO CC(=O)N1CCC([N@@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)CC1 ZINC000072371677 558958726 /nfs/dbraw/zinc/95/87/26/558958726.db2.gz WLELJOHRGWUQHE-KRWDZBQOSA-N 1 1 416.953 3.485 40 0 HGABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)CC1 ZINC000072371677 558958727 /nfs/dbraw/zinc/95/87/27/558958727.db2.gz WLELJOHRGWUQHE-KRWDZBQOSA-N 1 1 416.953 3.485 40 0 HGABMO 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ZINC000019707451 558969913 /nfs/dbraw/zinc/96/99/13/558969913.db2.gz IINYEQBENXFVGS-JOCHJYFZSA-N 1 1 418.545 3.252 40 0 HGABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1cn(C)c3ccccc13)C2 ZINC000019707449 558969969 /nfs/dbraw/zinc/96/99/69/558969969.db2.gz IINYEQBENXFVGS-QFIPXVFZSA-N 1 1 418.545 3.252 40 0 HGABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1cn(C)c3ccccc13)C2 ZINC000019707449 558969972 /nfs/dbraw/zinc/96/99/72/558969972.db2.gz IINYEQBENXFVGS-QFIPXVFZSA-N 1 1 418.545 3.252 40 0 HGABMO CNc1nc(C2CCN(C(=O)c3nccc4ccccc43)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710941 558973186 /nfs/dbraw/zinc/97/31/86/558973186.db2.gz YOASMVJLDPDFRE-UHFFFAOYSA-N 1 1 416.529 3.074 40 0 HGABMO CNc1nc(C2CCN(C(=O)c3nccc4ccccc43)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710941 558973188 /nfs/dbraw/zinc/97/31/88/558973188.db2.gz YOASMVJLDPDFRE-UHFFFAOYSA-N 1 1 416.529 3.074 40 0 HGABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)c1C ZINC000019715500 558976522 /nfs/dbraw/zinc/97/65/22/558976522.db2.gz UAAVDCNCPFARIX-MRXNPFEDSA-N 1 1 412.513 3.428 40 0 HGABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)c1C ZINC000019715500 558976525 /nfs/dbraw/zinc/97/65/25/558976525.db2.gz UAAVDCNCPFARIX-MRXNPFEDSA-N 1 1 412.513 3.428 40 0 HGABMO C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C1 ZINC000585104252 559026836 /nfs/dbraw/zinc/02/68/36/559026836.db2.gz OSIPRLPMLDMORB-PZJWPPBQSA-N 1 1 406.592 3.119 40 0 HGABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1F ZINC000585104607 559027140 /nfs/dbraw/zinc/02/71/40/559027140.db2.gz RJTNYKKYGPPIDW-NJDAHSKKSA-N 1 1 418.553 3.381 40 0 HGABMO CC(C)n1cc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccc(-n3cccn3)cc2)cn1 ZINC000585109041 559030293 /nfs/dbraw/zinc/03/02/93/559030293.db2.gz PNPBGDXGLUKNCO-VXKWHMMOSA-N 1 1 404.518 3.025 40 0 HGABMO CC(C)n1cc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccc(-n3cccn3)cc2)cn1 ZINC000585109041 559030294 /nfs/dbraw/zinc/03/02/94/559030294.db2.gz PNPBGDXGLUKNCO-VXKWHMMOSA-N 1 1 404.518 3.025 40 0 HGABMO CN1[C@H]2CC[N@H+](Cc3cccc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145711 559097449 /nfs/dbraw/zinc/09/74/49/559097449.db2.gz RZVHBOOMLQGBKD-ROUUACIJSA-N 1 1 406.935 3.386 40 0 HGABMO CN1[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145711 559097452 /nfs/dbraw/zinc/09/74/52/559097452.db2.gz RZVHBOOMLQGBKD-ROUUACIJSA-N 1 1 406.935 3.386 40 0 HGABMO COCC[N@@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc(-n3cccc3)cc1)C2 ZINC000096228484 559102705 /nfs/dbraw/zinc/10/27/05/559102705.db2.gz MMBOYRGCCJLLQY-GBXCKJPGSA-N 1 1 411.546 3.067 40 0 HGABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)C4CCCC4)CC3)c3ccccc32)CC1 ZINC000096242274 559103949 /nfs/dbraw/zinc/10/39/49/559103949.db2.gz GTYRKPOKFJSKFM-NRFANRHFSA-N 1 1 423.601 3.388 40 0 HGABMO CS(=O)(=O)N1CCCC[C@H]2C[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@H]21 ZINC000585285392 559121551 /nfs/dbraw/zinc/12/15/51/559121551.db2.gz YDZNDZZCOCJCSG-MYDTUXCISA-N 1 1 420.619 3.211 40 0 HGABMO COc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000036055839 559208727 /nfs/dbraw/zinc/20/87/27/559208727.db2.gz OEHFYGYYYQJAMU-XHIHJMKYSA-N 1 1 402.560 3.279 40 0 HGABMO C[NH+]1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069738 559272747 /nfs/dbraw/zinc/27/27/47/559272747.db2.gz XDQAOYDICZGYIY-OAQYLSRUSA-N 1 1 406.611 3.404 40 0 HGABMO COc1cc(C[N@@H+](C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCO ZINC000257281939 559285395 /nfs/dbraw/zinc/28/53/95/559285395.db2.gz OROJXPXWYWZJHP-HXUWFJFHSA-N 1 1 412.530 3.131 40 0 HGABMO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2ccc(C(F)(F)F)cc2C(=O)N3C)c1 ZINC000514288689 560034111 /nfs/dbraw/zinc/03/41/11/560034111.db2.gz SJCNWMMFYLWIGE-MJGOQNOKSA-N 1 1 406.404 3.431 40 0 biogenic,in-vitro HGABMO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2ccc(C(F)(F)F)cc2C(=O)N3C)c1 ZINC000514288689 560034112 /nfs/dbraw/zinc/03/41/12/560034112.db2.gz SJCNWMMFYLWIGE-MJGOQNOKSA-N 1 1 406.404 3.431 40 0 biogenic,in-vitro HGABMO CCOc1ccc(NC(=O)NC2CC[NH+](CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000004909353 560617958 /nfs/dbraw/zinc/61/79/58/560617958.db2.gz XAKRQMQQJBGDEX-LAUBAEHRSA-N 1 1 416.566 3.366 40 0 HGABMO Nc1nc(CN2CC[NH+](Cc3ccccc3)CC2)nc(Nc2cccc(Cl)c2)n1 ZINC000020414455 560884107 /nfs/dbraw/zinc/88/41/07/560884107.db2.gz QIAJCAFUDSLJNN-UHFFFAOYSA-N 1 1 409.925 3.169 40 0 HGABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(Br)s1 ZINC000216257831 568463886 /nfs/dbraw/zinc/46/38/86/568463886.db2.gz PYMSNFKYHYMFFE-UHFFFAOYSA-N 1 1 412.334 3.483 40 0 HGABMO COc1ccc(OC)c(S(=O)(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000222977509 568532952 /nfs/dbraw/zinc/53/29/52/568532952.db2.gz XNWZVFZUPJIETF-UHFFFAOYSA-N 1 1 421.906 3.296 40 0 HGABMO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)ccc1Cl ZINC000223861494 568561146 /nfs/dbraw/zinc/56/11/46/568561146.db2.gz WPVASAOFQUDMAW-UHFFFAOYSA-N 1 1 419.890 3.099 40 0 HGABMO COCC[N@@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc(-n3cccc3)cc1)C2 ZINC000247995118 568747035 /nfs/dbraw/zinc/74/70/35/568747035.db2.gz MMBOYRGCCJLLQY-RDPSFJRHSA-N 1 1 411.546 3.067 40 0 HGABMO CO[C@H]1CC[N@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@]12CCCO2 ZINC000257199995 568776179 /nfs/dbraw/zinc/77/61/79/568776179.db2.gz ABOHWWWRQNUZOM-FPOVZHCZSA-N 1 1 401.532 3.327 40 0 HGABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@]12CCCO2 ZINC000257199995 568776182 /nfs/dbraw/zinc/77/61/82/568776182.db2.gz ABOHWWWRQNUZOM-FPOVZHCZSA-N 1 1 401.532 3.327 40 0 HGABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257210644 568779221 /nfs/dbraw/zinc/77/92/21/568779221.db2.gz BVOVFBSNFWDQJB-XMMPIXPASA-N 1 1 402.498 3.075 40 0 HGABMO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(F)(F)CC1 ZINC000257213056 568780023 /nfs/dbraw/zinc/78/00/23/568780023.db2.gz CFZLUXSSAJAXSK-BDXSIMOUSA-N 1 1 412.477 3.192 40 0 HGABMO CC(C)c1[nH+]ccn1CC(=O)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257289813 568801384 /nfs/dbraw/zinc/80/13/84/568801384.db2.gz QAHNZDUXQAMYJO-IBGZPJMESA-N 1 1 424.480 3.279 40 0 HGABMO Cn1cc(C[N@H+]2CC[C@@H](c3ccnc(Nc4cc(C(F)(F)F)ccn4)n3)C2)cn1 ZINC000257300429 568804443 /nfs/dbraw/zinc/80/44/43/568804443.db2.gz RUFGKEIRGHNZKP-CQSZACIVSA-N 1 1 403.412 3.357 40 0 HGABMO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccnc4OC)C2)OC3)cc1 ZINC000306123077 568886241 /nfs/dbraw/zinc/88/62/41/568886241.db2.gz ADZJUISSVYPBIX-QHCPKHFHSA-N 1 1 406.486 3.137 40 0 HGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccc3)C[C@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126031 568888589 /nfs/dbraw/zinc/88/85/89/568888589.db2.gz DKBHTDLNPCYXGE-RDGATRHJSA-N 1 1 422.573 3.461 40 0 HGABMO Cc1ccc(C(=O)N2CCN(C)[C@@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)o1 ZINC000306127668 568890546 /nfs/dbraw/zinc/89/05/46/568890546.db2.gz GEMRQTIXLQBVBQ-HXUWFJFHSA-N 1 1 401.470 3.427 40 0 HGABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cccc(C)c4)C[C@H]2C3)cc1 ZINC000306128030 568890720 /nfs/dbraw/zinc/89/07/20/568890720.db2.gz GOFMJAADXKARMN-RTBURBONSA-N 1 1 417.513 3.152 40 0 HGABMO COc1ncccc1CN1CCN(C)[C@@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1 ZINC000306131434 568893572 /nfs/dbraw/zinc/89/35/72/568893572.db2.gz KECXWYFOULRAJJ-JOCHJYFZSA-N 1 1 414.513 3.289 40 0 HGABMO C[N@@H+]1CC[C@H](COCc2ccncc2)CC12CN(C(=O)c1cc3c(s1)CCC3)C2 ZINC000306134531 568896566 /nfs/dbraw/zinc/89/65/66/568896566.db2.gz NQIBHQPYGUDTCN-SFHVURJKSA-N 1 1 411.571 3.385 40 0 HGABMO C[N@H+]1CC[C@H](COCc2ccncc2)CC12CN(C(=O)c1cc3c(s1)CCC3)C2 ZINC000306134531 568896568 /nfs/dbraw/zinc/89/65/68/568896568.db2.gz NQIBHQPYGUDTCN-SFHVURJKSA-N 1 1 411.571 3.385 40 0 HGABMO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5scnc5C)CC4)nccn23)c1 ZINC000306135176 568897177 /nfs/dbraw/zinc/89/71/77/568897177.db2.gz OKFKHNRBVROFIU-UHFFFAOYSA-N 1 1 420.542 3.492 40 0 HGABMO COc1ncccc1C[N@H+]1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136336 568898242 /nfs/dbraw/zinc/89/82/42/568898242.db2.gz PQIVDAGKHXRGNV-HYBUGGRVSA-N 1 1 423.561 3.096 40 0 HGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141155 568902694 /nfs/dbraw/zinc/90/26/94/568902694.db2.gz VMRUAEYDKAPYQI-XUZZJYLKSA-N 1 1 419.529 3.470 40 0 HGABMO O=c1n2ccccc2nn1CCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000077291423 568924226 /nfs/dbraw/zinc/92/42/26/568924226.db2.gz BYMWUBUCHMEWPM-UHFFFAOYSA-N 1 1 406.317 3.015 40 0 in-vitro HGABMO C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC000248130492 569316401 /nfs/dbraw/zinc/31/64/01/569316401.db2.gz MZZPVTJYLKEASI-UWJYYQICSA-N 1 1 410.493 3.032 40 0 HGABMO COC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242400285 569326792 /nfs/dbraw/zinc/32/67/92/569326792.db2.gz ATAKWQYDVDUMEY-KSZLIROESA-N 1 1 410.333 3.041 40 0 HGABMO Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000009358147 569392554 /nfs/dbraw/zinc/39/25/54/569392554.db2.gz QYKFPSKFNDXJHN-GKAYAJSDSA-N 1 1 421.884 3.080 40 0 HGABMO O=C(NCc1cccnc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000034684070 557015939 /nfs/dbraw/zinc/01/59/39/557015939.db2.gz AALUGVZFLFKGHB-UHFFFAOYSA-N 1 1 400.526 3.329 40 0 HGABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2 ZINC000019742504 558263046 /nfs/dbraw/zinc/26/30/46/558263046.db2.gz GJCBPPIJSHTOMO-MRXNPFEDSA-N 1 1 408.502 3.436 40 0 HGABMO COCCNC(=O)c1cc([C@H]2CC[N@@H+](Cc3cnc(C)s3)C2)nc2ccccc21 ZINC000019761106 558276357 /nfs/dbraw/zinc/27/63/57/558276357.db2.gz FOPLOHYKAYHPLI-INIZCTEOSA-N 1 1 410.543 3.365 40 0 HGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763532 558277612 /nfs/dbraw/zinc/27/76/12/558277612.db2.gz IIUXONHOYKIPES-FQEVSTJZSA-N 1 1 401.514 3.490 40 0 HGABMO COc1ccc(-c2ncc(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)cn2)cc1 ZINC000012185835 558345188 /nfs/dbraw/zinc/34/51/88/558345188.db2.gz YQKBUDPBVWVKRR-MRXNPFEDSA-N 1 1 407.470 3.264 40 0 HGABMO COc1ccc(-c2ncc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)cn2)cc1 ZINC000012185835 558345191 /nfs/dbraw/zinc/34/51/91/558345191.db2.gz YQKBUDPBVWVKRR-MRXNPFEDSA-N 1 1 407.470 3.264 40 0 HGABMO CN1CC[NH+](CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)CC1 ZINC000022525394 558495685 /nfs/dbraw/zinc/49/56/85/558495685.db2.gz JWMHWIXNIKLQIH-UHFFFAOYSA-N 1 1 406.574 3.007 40 0 HGABMO C/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H]([NH3+])[C@H]2SC1 ZINC000026892931 558666478 /nfs/dbraw/zinc/66/64/78/558666478.db2.gz KGHADALWBFAJHM-PHCZEZGMSA-N 1 1 406.507 3.392 40 0 HGABMO CC(=O)N1CCc2cc(C(=O)C[N@@H+]3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019019168 558837405 /nfs/dbraw/zinc/83/74/05/558837405.db2.gz UHWJZRWCOIZRNI-DEOSSOPVSA-N 1 1 410.489 3.291 40 0 HGABMO CC(=O)N1CCc2cc(C(=O)C[N@H+]3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019019168 558837407 /nfs/dbraw/zinc/83/74/07/558837407.db2.gz UHWJZRWCOIZRNI-DEOSSOPVSA-N 1 1 410.489 3.291 40 0 HGABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)on1 ZINC000019124137 558844255 /nfs/dbraw/zinc/84/42/55/558844255.db2.gz PBEAILRRQULQKS-SFHVURJKSA-N 1 1 422.533 3.193 40 0 HGABMO Cc1nn(-c2ccccc2C)c(C)c1CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000019237568 558856754 /nfs/dbraw/zinc/85/67/54/558856754.db2.gz FLOFVVKZYAKTOS-OAQYLSRUSA-N 1 1 410.562 3.053 40 0 HGABMO COc1ccc(-c2ncc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)cn2)cc1 ZINC000019291427 558863800 /nfs/dbraw/zinc/86/38/00/558863800.db2.gz UMOMKFSCMBIINW-VXMMSVGHSA-N 1 1 419.529 3.005 40 0 HGABMO O=C(N[C@@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)no1 ZINC000019292873 558864725 /nfs/dbraw/zinc/86/47/25/558864725.db2.gz NHJWJHJETXGPMU-MRXNPFEDSA-N 1 1 405.445 3.241 40 0 HGABMO Fc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 ZINC000019335945 558869968 /nfs/dbraw/zinc/86/99/68/558869968.db2.gz GJAXCHXPNKGDKI-RRQGHBQHSA-N 1 1 413.419 3.496 40 0 HGABMO O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343558 558872519 /nfs/dbraw/zinc/87/25/19/558872519.db2.gz JILCOQIQHRYDQX-IBGZPJMESA-N 1 1 412.559 3.243 40 0 HGABMO O=C(NC1CCCC1)c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](Cc2ccccc2)CC1 ZINC000019372420 558879442 /nfs/dbraw/zinc/87/94/42/558879442.db2.gz IFLCXNWDWPWKCH-UHFFFAOYSA-N 1 1 416.525 3.127 40 0 HGABMO O=C(NC[C@H]1CCCOC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372549 558879930 /nfs/dbraw/zinc/87/99/30/558879930.db2.gz RPXAZOUXKVXVAR-UEVCKROQSA-N 1 1 424.516 3.299 40 0 HGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000019404210 558884483 /nfs/dbraw/zinc/88/44/83/558884483.db2.gz BAJDLLXLZXJYKP-SIKLNZKXSA-N 1 1 422.577 3.426 40 0 HGABMO CC(C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019446950 558886444 /nfs/dbraw/zinc/88/64/44/558886444.db2.gz AYVYPKLGBIFYDA-VXKWHMMOSA-N 1 1 421.589 3.455 40 0 HGABMO CC(C)[N@H+]1CCC[C@H](c2cc(=O)[nH]c(C3CCN(C(=O)Cc4ccccc4)CC3)n2)C1 ZINC000019447932 558886699 /nfs/dbraw/zinc/88/66/99/558886699.db2.gz OZAKETUIVUDSGL-NRFANRHFSA-N 1 1 422.573 3.306 40 0 HGABMO CCCOc1c(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cccc1OC ZINC000019503806 558900869 /nfs/dbraw/zinc/90/08/69/558900869.db2.gz GZAXKRNQCJBMIL-RJGXRXQPSA-N 1 1 410.558 3.346 40 0 HGABMO Cc1c(C[N@H+]2CCC[C@@H](c3cc(C(=O)NCc4cccc(F)c4)on3)C2)cnn1C ZINC000019553690 558916761 /nfs/dbraw/zinc/91/67/61/558916761.db2.gz BCMWSZZZIGSPSF-QGZVFWFLSA-N 1 1 411.481 3.165 40 0 HGABMO COc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019556858 558919191 /nfs/dbraw/zinc/91/91/91/558919191.db2.gz UDWVVUKKNOGQSJ-JCGIZDLHSA-N 1 1 407.465 3.068 40 0 HGABMO Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)s1 ZINC000019560126 558921121 /nfs/dbraw/zinc/92/11/21/558921121.db2.gz DBQXNMQKOYMEFT-KRWDZBQOSA-N 1 1 415.563 3.389 40 0 HGABMO C[N@H+]1CCCC[C@H]1CC(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 ZINC000019588869 558940178 /nfs/dbraw/zinc/94/01/78/558940178.db2.gz NWLKHWWXTZAKQC-INIZCTEOSA-N 1 1 410.547 3.059 40 0 HGABMO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1)N1CCOCC1 ZINC000072348740 558945502 /nfs/dbraw/zinc/94/55/02/558945502.db2.gz TULGKRYEMAMZDX-IBGZPJMESA-N 1 1 413.949 3.364 40 0 HGABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1)N1CCOCC1 ZINC000072348740 558945503 /nfs/dbraw/zinc/94/55/03/558945503.db2.gz TULGKRYEMAMZDX-IBGZPJMESA-N 1 1 413.949 3.364 40 0 HGABMO CCOc1ccccc1-c1nnc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)s1 ZINC000019654675 558947995 /nfs/dbraw/zinc/94/79/95/558947995.db2.gz GGOADTZYBKRYEU-UHFFFAOYSA-N 1 1 424.530 3.003 40 0 HGABMO CCOCc1ccc(C(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)nc(NC)c3C2)cc1 ZINC000072372300 558959740 /nfs/dbraw/zinc/95/97/40/558959740.db2.gz XMHWAMNROYLKAP-LJQANCHMSA-N 1 1 423.561 3.063 40 0 HGABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)Cn3nc(C)ccc3=O)c2)n1 ZINC000072372607 558960342 /nfs/dbraw/zinc/96/03/42/558960342.db2.gz ZPSOJIQPHBXSAZ-SFHVURJKSA-N 1 1 424.530 3.127 40 0 HGABMO Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)n1 ZINC000072374860 558963095 /nfs/dbraw/zinc/96/30/95/558963095.db2.gz SXELRGYDGUVOBL-IBGZPJMESA-N 1 1 408.550 3.362 40 0 HGABMO Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@H+](CC(=O)N3CCC(C)CC3)C2)n1 ZINC000072374860 558963097 /nfs/dbraw/zinc/96/30/97/558963097.db2.gz SXELRGYDGUVOBL-IBGZPJMESA-N 1 1 408.550 3.362 40 0 HGABMO Nc1nc2c(cc1C(=O)NCc1ccccn1)C[N@H+](Cc1cccc3cccnc31)CC2 ZINC000019701084 558967260 /nfs/dbraw/zinc/96/72/60/558967260.db2.gz PEGRJPXFSYFLAD-UHFFFAOYSA-N 1 1 424.508 3.095 40 0 HGABMO Nc1nc2c(cc1C(=O)NCc1ccccn1)C[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000019701084 558967263 /nfs/dbraw/zinc/96/72/63/558967263.db2.gz PEGRJPXFSYFLAD-UHFFFAOYSA-N 1 1 424.508 3.095 40 0 HGABMO Cc1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C1)OCO2 ZINC000072393271 558972622 /nfs/dbraw/zinc/97/26/22/558972622.db2.gz CVOLSSIDFMAHPS-MRXNPFEDSA-N 1 1 404.470 3.249 40 0 HGABMO FC(F)(F)c1ccccc1N1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000019715689 558976988 /nfs/dbraw/zinc/97/69/88/558976988.db2.gz JVKJHGXYMJHQJZ-UHFFFAOYSA-N 1 1 412.481 3.321 40 0 HGABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106263 559028590 /nfs/dbraw/zinc/02/85/90/559028590.db2.gz ZYWANFCSTFJHQT-SJORKVTESA-N 1 1 421.944 3.178 40 0 HGABMO COc1cccc(C[N@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 ZINC000096145488 559097298 /nfs/dbraw/zinc/09/72/98/559097298.db2.gz XNEXUAQZNKVVNE-FYYLOGMGSA-N 1 1 414.571 3.164 40 0 HGABMO O=C(NCc1cccc(F)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096239950 559103547 /nfs/dbraw/zinc/10/35/47/559103547.db2.gz BJKYFHYCPIEBFH-UHFFFAOYSA-N 1 1 412.509 3.045 40 0 HGABMO Cc1ccc(C[N@H+]2Cc3ccccc3C3(CCN(S(=O)(=O)N(C)C)CC3)C2)s1 ZINC000096242501 559104071 /nfs/dbraw/zinc/10/40/71/559104071.db2.gz FCYDHWHTKFRZRF-UHFFFAOYSA-N 1 1 419.616 3.212 40 0 HGABMO O=C(CCc1cccnc1)N1C[C@@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245526 559105057 /nfs/dbraw/zinc/10/50/57/559105057.db2.gz HLAUECMPDRJKBI-PSWAGMNNSA-N 1 1 418.585 3.069 40 0 HGABMO Cc1ccc(Cl)c(OCC2(O)CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000585272019 559117890 /nfs/dbraw/zinc/11/78/90/559117890.db2.gz DVVZQHZJGOCHSV-UHFFFAOYSA-N 1 1 420.912 3.310 40 0 HGABMO C[NH+]1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070447 559272772 /nfs/dbraw/zinc/27/27/72/559272772.db2.gz IZDRZBAVVYYVOH-FQEVSTJZSA-N 1 1 406.611 3.285 40 0 HGABMO COCCOc1cc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)ccc1OC ZINC000257205422 559282365 /nfs/dbraw/zinc/28/23/65/559282365.db2.gz AYYWJDKWVKQBKO-HSZRJFAPSA-N 1 1 401.503 3.126 40 0 HGABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)NCc1ccc(F)cc1 ZINC000004908188 560617842 /nfs/dbraw/zinc/61/78/42/560617842.db2.gz ADRMBDIZFBQREN-FRIKZZABSA-N 1 1 409.505 3.257 40 0 HGABMO COc1ccc([C@H]2[NH+]=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009287538 560757709 /nfs/dbraw/zinc/75/77/09/560757709.db2.gz MPHWTYNDTWOFAZ-IBGZPJMESA-N 1 1 409.877 3.332 40 0 HGABMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992090 560808565 /nfs/dbraw/zinc/80/85/65/560808565.db2.gz RKQZVYFIUMOCFC-YJLYGGOZSA-N 1 1 419.481 3.134 40 0 HGABMO COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020141353 560881616 /nfs/dbraw/zinc/88/16/16/560881616.db2.gz ZMOFLSJRAVQKCW-QHCPKHFHSA-N 1 1 420.561 3.245 40 0 HGABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C(C)C ZINC000224575884 568585958 /nfs/dbraw/zinc/58/59/58/568585958.db2.gz PRDPVPNNRFMYQU-UHFFFAOYSA-N 1 1 418.559 3.129 40 0 HGABMO Cc1cc(N2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)nc(C)[nH+]1 ZINC000257221836 568782554 /nfs/dbraw/zinc/78/25/54/568782554.db2.gz DQSLUGCATHKXPX-FQEVSTJZSA-N 1 1 415.444 3.294 40 0 HGABMO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC[C@@]12CCCO2 ZINC000257222673 568782772 /nfs/dbraw/zinc/78/27/72/568782772.db2.gz DUGWAVPNCVMBHJ-CTNGQTDRSA-N 1 1 401.532 3.327 40 0 HGABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC[C@@]12CCCO2 ZINC000257222673 568782773 /nfs/dbraw/zinc/78/27/73/568782773.db2.gz DUGWAVPNCVMBHJ-CTNGQTDRSA-N 1 1 401.532 3.327 40 0 HGABMO Cc1ccc(NC(=O)CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)[C@@H](O)C2)cc1F ZINC000257230370 568784938 /nfs/dbraw/zinc/78/49/38/568784938.db2.gz GCAHMWCQFVORLK-UPVQGACJSA-N 1 1 411.521 3.174 40 0 HGABMO CCCN1CC[N@@H+](CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257282157 568799207 /nfs/dbraw/zinc/79/92/07/568799207.db2.gz OSPALTNXWVKFED-HXUWFJFHSA-N 1 1 411.521 3.081 40 0 HGABMO Cn1cc(C[N@H+]2CC[C@H](c3ccnc(Nc4cc(C(F)(F)F)ccn4)n3)C2)cn1 ZINC000257300428 568804461 /nfs/dbraw/zinc/80/44/61/568804461.db2.gz RUFGKEIRGHNZKP-AWEZNQCLSA-N 1 1 403.412 3.357 40 0 HGABMO COCC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1cccc(-c3ccncc3)c1)CCO2 ZINC000306125309 568888219 /nfs/dbraw/zinc/88/82/19/568888219.db2.gz CMFDUUOJNKVWAL-UPVQGACJSA-N 1 1 409.530 3.025 40 0 HGABMO COCC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1cccc(-c3ccncc3)c1)CCO2 ZINC000306125309 568888221 /nfs/dbraw/zinc/88/82/21/568888221.db2.gz CMFDUUOJNKVWAL-UPVQGACJSA-N 1 1 409.530 3.025 40 0 HGABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@@H+]2C ZINC000306126274 568888884 /nfs/dbraw/zinc/88/88/84/568888884.db2.gz DRFNZRUMIOSPKJ-IBGZPJMESA-N 1 1 412.534 3.084 40 0 HGABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@H+]2C ZINC000306126274 568888886 /nfs/dbraw/zinc/88/88/86/568888886.db2.gz DRFNZRUMIOSPKJ-IBGZPJMESA-N 1 1 412.534 3.084 40 0 HGABMO O=C1N(Cc2ccc(F)cc2)CCO[C@@]12C[N@@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306127037 568889690 /nfs/dbraw/zinc/88/96/90/568889690.db2.gz FMEVUBULSOEPEA-ISKFKSNPSA-N 1 1 421.472 3.211 40 0 HGABMO Cc1cc(C)cc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)c1 ZINC000306127649 568890486 /nfs/dbraw/zinc/89/04/86/568890486.db2.gz GEBFPOKBYIOBEZ-UKILVPOCSA-N 1 1 405.542 3.305 40 0 HGABMO c1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc2c1OCO2 ZINC000306127946 568890730 /nfs/dbraw/zinc/89/07/30/568890730.db2.gz GLKKWTBSKHUKNH-GOSISDBHSA-N 1 1 405.502 3.438 40 0 HGABMO CN1CCN(C(=O)Cc2ccccc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306128110 568890891 /nfs/dbraw/zinc/89/08/91/568890891.db2.gz GQEPJDYTICSNOV-QHCPKHFHSA-N 1 1 411.509 3.454 40 0 HGABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(N4CCC(F)(F)CC4)nc23)cn1 ZINC000306134649 568896472 /nfs/dbraw/zinc/89/64/72/568896472.db2.gz NUJMLHJYXMMRCU-OAQYLSRUSA-N 1 1 415.488 3.089 40 0 HGABMO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)c1 ZINC000306137870 568899803 /nfs/dbraw/zinc/89/98/03/568899803.db2.gz RIQFGQJTOMTHKH-FCHUYYIVSA-N 1 1 415.541 3.129 40 0 HGABMO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306137872 568899852 /nfs/dbraw/zinc/89/98/52/568899852.db2.gz RIQFGQJTOMTHKH-VXKWHMMOSA-N 1 1 415.541 3.129 40 0 HGABMO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000306140771 568902635 /nfs/dbraw/zinc/90/26/35/568902635.db2.gz VDNAUZCCLSMEPK-QHCPKHFHSA-N 1 1 406.461 3.000 40 0 HGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)cs1 ZINC000306141549 568903085 /nfs/dbraw/zinc/90/30/85/568903085.db2.gz WAAZINDOPZWKQV-OALUTQOASA-N 1 1 422.510 3.063 40 0 HGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)cs1 ZINC000306141549 568903086 /nfs/dbraw/zinc/90/30/86/568903086.db2.gz WAAZINDOPZWKQV-OALUTQOASA-N 1 1 422.510 3.063 40 0 HGABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3Cl)C[C@H]1C2 ZINC000306143184 568904738 /nfs/dbraw/zinc/90/47/38/568904738.db2.gz XVHSNHPSXLPTOW-MOPGFXCFSA-N 1 1 421.932 3.166 40 0 HGABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3Cl)C[C@H]1C2 ZINC000306143187 568904782 /nfs/dbraw/zinc/90/47/82/568904782.db2.gz XVHSNHPSXLPTOW-RTBURBONSA-N 1 1 421.932 3.166 40 0 HGABMO COc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306144281 568905615 /nfs/dbraw/zinc/90/56/15/568905615.db2.gz ZBBMJHOKKDIWCX-XMMPIXPASA-N 1 1 419.481 3.462 40 0 HGABMO COC[C@@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218232334 568928540 /nfs/dbraw/zinc/92/85/40/568928540.db2.gz ATAKWQYDVDUMEY-OKZBNKHCSA-N 1 1 410.333 3.041 40 0 HGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242648342 568968772 /nfs/dbraw/zinc/96/87/72/568968772.db2.gz QTBIGFUQEKULKR-OTWHNJEPSA-N 1 1 424.360 3.431 40 0 HGABMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@@H+]3CCc4c5cc(OC)c(OC)cc5[nH]c4[C@@H]3C[C@H]12 ZINC000059796449 569053803 /nfs/dbraw/zinc/05/38/03/569053803.db2.gz FGWJRZQNNZVCHR-HAHWVIBASA-N 1 1 412.486 3.196 40 0 HGABMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@H+]3CCc4c5cc(OC)c(OC)cc5[nH]c4[C@@H]3C[C@H]12 ZINC000059796449 569053804 /nfs/dbraw/zinc/05/38/04/569053804.db2.gz FGWJRZQNNZVCHR-HAHWVIBASA-N 1 1 412.486 3.196 40 0 HGABMO O=C1C[C@@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000017083048 569345144 /nfs/dbraw/zinc/34/51/44/569345144.db2.gz PBAVITCTMCJRJB-XHDPSFHLSA-N 1 1 404.816 3.228 40 0 HGABMO O=C1C[C@@H]([N@@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000017083048 569345145 /nfs/dbraw/zinc/34/51/45/569345145.db2.gz PBAVITCTMCJRJB-XHDPSFHLSA-N 1 1 404.816 3.228 40 0 HGABMO COc1ccc2c(c1)C(=O)N[C@]1(CC[N@H+]([C@@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000019456763 569345538 /nfs/dbraw/zinc/34/55/38/569345538.db2.gz QTGUMDXHONAXJW-GKVSMKOHSA-N 1 1 424.541 3.464 40 0 HGABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2C[N@@H+](CC3CCCCC3)CCO2)n1 ZINC000019692778 569346204 /nfs/dbraw/zinc/34/62/04/569346204.db2.gz HXICYYGRDNGUGS-NRFANRHFSA-N 1 1 423.561 3.262 40 0 HGABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2C[N@H+](C3CCCCC3)CCO2)n1 ZINC000019694886 569346675 /nfs/dbraw/zinc/34/66/75/569346675.db2.gz MTECMPWDAZWPOZ-FQEVSTJZSA-N 1 1 409.534 3.015 40 0 HGABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)NCc3ccccc3)CC2)cs1 ZINC000225463610 291234439 /nfs/dbraw/zinc/23/44/39/291234439.db2.gz FWRNDZLHMPPTKE-UHFFFAOYSA-N 1 1 402.564 3.178 40 0 biogenic,in-vitro HGABMO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015707201 291234450 /nfs/dbraw/zinc/23/44/50/291234450.db2.gz RFEUPSLTYHVPBP-KRWDZBQOSA-N 1 1 424.461 3.424 40 0 biogenic,in-vitro HGABMO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)o2)cc1 ZINC000049170171 291239441 /nfs/dbraw/zinc/23/94/41/291239441.db2.gz HCSNPYLXBMITSH-KRWDZBQOSA-N 1 1 413.499 3.138 40 0 biogenic,in-vitro HGABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)o2)cc1 ZINC000049170171 291239442 /nfs/dbraw/zinc/23/94/42/291239442.db2.gz HCSNPYLXBMITSH-KRWDZBQOSA-N 1 1 413.499 3.138 40 0 biogenic,in-vitro HGABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1)c1ccncc1 ZINC000004259189 291244634 /nfs/dbraw/zinc/24/46/34/291244634.db2.gz SABVWMRXLZOCQT-PKOBYXMFSA-N 1 1 418.472 3.254 40 0 biogenic,in-vitro HGABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000044900781 527373411 /nfs/dbraw/zinc/37/34/11/527373411.db2.gz RRRIKPJHKOPKKX-UHFFFAOYSA-N 1 1 406.305 3.422 40 0 HGABMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(-c2ccc(F)c(F)c2)on1 ZINC000036631322 527572065 /nfs/dbraw/zinc/57/20/65/527572065.db2.gz YIYTZGUZNKRXST-UHFFFAOYSA-N 1 1 405.445 3.385 40 0 HGABMO CC(C)Oc1ccc(N2C[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000408708313 557735448 /nfs/dbraw/zinc/73/54/48/557735448.db2.gz PDVYUQNBRKVSHH-NRFANRHFSA-N 1 1 421.541 3.171 40 0 HGABMO O=C(CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000019748183 558267457 /nfs/dbraw/zinc/26/74/57/558267457.db2.gz LIRXCXQHFVVVIR-HSZRJFAPSA-N 1 1 423.601 3.434 40 0 HGABMO Cc1c(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)cnn1C ZINC000019749084 558268318 /nfs/dbraw/zinc/26/83/18/558268318.db2.gz ZOTWUVCICGALSI-MRXNPFEDSA-N 1 1 409.456 3.235 40 0 HGABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 ZINC000019761118 558276435 /nfs/dbraw/zinc/27/64/35/558276435.db2.gz IOTUUPVVYCOUEF-KRWDZBQOSA-N 1 1 422.554 3.462 40 0 HGABMO COc1ccc(C[N@H+]2CCCN(c3nc(C)cc(-n4nc(C)cc4C)n3)CC2)cc1 ZINC000012120638 558330551 /nfs/dbraw/zinc/33/05/51/558330551.db2.gz CTNOAGLWVYAOGQ-UHFFFAOYSA-N 1 1 406.534 3.308 40 0 HGABMO Cc1sc2nc(C)n(C3CC[NH+](CC(=O)N4CCCCC4)CC3)c(=O)c2c1C ZINC000012145409 558336504 /nfs/dbraw/zinc/33/65/04/558336504.db2.gz IHDDJHUMRZLUOH-UHFFFAOYSA-N 1 1 402.564 3.033 40 0 HGABMO Cc1cccc(C)c1NC(=O)Cn1c(C)nc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000012186296 558345476 /nfs/dbraw/zinc/34/54/76/558345476.db2.gz FHIHKZXDSNOYOC-UHFFFAOYSA-N 1 1 416.525 3.366 40 0 HGABMO Cc1cccc(C)c1NC(=O)Cn1c(C)nc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000012186296 558345479 /nfs/dbraw/zinc/34/54/79/558345479.db2.gz FHIHKZXDSNOYOC-UHFFFAOYSA-N 1 1 416.525 3.366 40 0 HGABMO CC(C)(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019081284 558839396 /nfs/dbraw/zinc/83/93/96/558839396.db2.gz SADJVYKGDFLATH-HNNXBMFYSA-N 1 1 414.575 3.142 40 0 HGABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1OC ZINC000019129193 558845254 /nfs/dbraw/zinc/84/52/54/558845254.db2.gz HEILMMFOMQKOKW-INIZCTEOSA-N 1 1 411.506 3.025 40 0 HGABMO Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019239484 558857991 /nfs/dbraw/zinc/85/79/91/558857991.db2.gz ACMLHDGPYOCSDW-NRFANRHFSA-N 1 1 421.545 3.141 40 0 HGABMO O=C(COc1cccc(C(F)(F)F)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000053336698 558863373 /nfs/dbraw/zinc/86/33/73/558863373.db2.gz KZBPIZTYJOOPAB-UHFFFAOYSA-N 1 1 408.420 3.233 40 0 HGABMO O=C(N[C@@H]1CCCOC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372522 558879940 /nfs/dbraw/zinc/87/99/40/558879940.db2.gz JKWUOYGZXWWJRX-YPAWHYETSA-N 1 1 410.489 3.052 40 0 HGABMO O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019400062 558882722 /nfs/dbraw/zinc/88/27/22/558882722.db2.gz FAIOMYREOLTCJO-NRFANRHFSA-N 1 1 421.545 3.081 40 0 HGABMO CCCC(=O)N1c2ccc([C@H](O)C[NH+]3CCN(c4nccs4)CC3)cc2C[C@H]1C ZINC000019501703 558899951 /nfs/dbraw/zinc/89/99/51/558899951.db2.gz ZMCNCINJVSEMRK-OXQOHEQNSA-N 1 1 414.575 3.076 40 0 HGABMO CCc1[nH]nc(C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)c1C ZINC000019520984 558902212 /nfs/dbraw/zinc/90/22/12/558902212.db2.gz YGRIDPSIWFQCBT-UHFFFAOYSA-N 1 1 424.524 3.215 40 0 HGABMO CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)n1 ZINC000019525152 558906593 /nfs/dbraw/zinc/90/65/93/558906593.db2.gz BDINXEKIXVJRTM-HXUWFJFHSA-N 1 1 424.549 3.067 40 0 HGABMO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)no2)cc1 ZINC000019555866 558918538 /nfs/dbraw/zinc/91/85/38/558918538.db2.gz FHKBBSTYQSTPEC-IBGZPJMESA-N 1 1 406.486 3.388 40 0 HGABMO C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000019587615 558939809 /nfs/dbraw/zinc/93/98/09/558939809.db2.gz IBLPGNRRSLZDQO-GHTZIAJQSA-N 1 1 410.493 3.032 40 0 HGABMO C[N@H+]1CCCC[C@@H]1CC(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 ZINC000019588867 558940092 /nfs/dbraw/zinc/94/00/92/558940092.db2.gz NWLKHWWXTZAKQC-MRXNPFEDSA-N 1 1 410.547 3.059 40 0 HGABMO COc1cccc(-c2noc(CCC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)n2)c1 ZINC000019589356 558940147 /nfs/dbraw/zinc/94/01/47/558940147.db2.gz GJTXMUUEIDCAMJ-FQEVSTJZSA-N 1 1 406.486 3.193 40 0 HGABMO COc1cccc(-c2noc(CCC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)n2)c1 ZINC000019589356 558940149 /nfs/dbraw/zinc/94/01/49/558940149.db2.gz GJTXMUUEIDCAMJ-FQEVSTJZSA-N 1 1 406.486 3.193 40 0 HGABMO CC(=O)Nc1ccc([C@@H](O)C[N@@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000072342779 558940565 /nfs/dbraw/zinc/94/05/65/558940565.db2.gz WEVJDQVWBUVYIA-QFIPXVFZSA-N 1 1 405.502 3.127 40 0 HGABMO CNc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccc(Cl)cc4)n3)C2)cn1 ZINC000019592382 558943269 /nfs/dbraw/zinc/94/32/69/558943269.db2.gz RDRVMKKSROLQGO-INIZCTEOSA-N 1 1 410.909 3.302 40 0 HGABMO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019593233 558944350 /nfs/dbraw/zinc/94/43/50/558944350.db2.gz XPHCJWWZTDRUJM-JTSKRJEESA-N 1 1 403.473 3.466 40 0 HGABMO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1)N1CCC1 ZINC000072371751 558959134 /nfs/dbraw/zinc/95/91/34/558959134.db2.gz JAJRHZXEZKNVOL-OAHLLOKOSA-N 1 1 422.451 3.072 40 0 HGABMO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCC1 ZINC000072371751 558959135 /nfs/dbraw/zinc/95/91/35/558959135.db2.gz JAJRHZXEZKNVOL-OAHLLOKOSA-N 1 1 422.451 3.072 40 0 HGABMO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCC1 ZINC000072371751 558959138 /nfs/dbraw/zinc/95/91/38/558959138.db2.gz JAJRHZXEZKNVOL-OAHLLOKOSA-N 1 1 422.451 3.072 40 0 HGABMO COc1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)[nH]n2)c1 ZINC000072371741 558959144 /nfs/dbraw/zinc/95/91/44/558959144.db2.gz DXGRGVIJGGCCDJ-SFHVURJKSA-N 1 1 421.545 3.490 40 0 HGABMO COc1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)n[nH]2)c1 ZINC000072371741 558959145 /nfs/dbraw/zinc/95/91/45/558959145.db2.gz DXGRGVIJGGCCDJ-SFHVURJKSA-N 1 1 421.545 3.490 40 0 HGABMO COc1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)n[nH]2)c1 ZINC000072371741 558959146 /nfs/dbraw/zinc/95/91/46/558959146.db2.gz DXGRGVIJGGCCDJ-SFHVURJKSA-N 1 1 421.545 3.490 40 0 HGABMO Cc1nccn1CCNC(=O)C1(Cc2cccc([C@H]3CCC[N@H+](C)C3)c2)CCOCC1 ZINC000072372228 558959517 /nfs/dbraw/zinc/95/95/17/558959517.db2.gz PXRPVMGNJULMHG-QHCPKHFHSA-N 1 1 424.589 3.156 40 0 HGABMO CCOCc1ccc(C(=O)N2CCc3nc([C@H]4CCC[N@@H+](C)C4)nc(NC)c3C2)cc1 ZINC000072372301 558959719 /nfs/dbraw/zinc/95/97/19/558959719.db2.gz XMHWAMNROYLKAP-IBGZPJMESA-N 1 1 423.561 3.063 40 0 HGABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2cc(Cc3ccc(F)cc3)cc(C)n2)CC1 ZINC000019691823 558961156 /nfs/dbraw/zinc/96/11/56/558961156.db2.gz BDGWICNOWLOUBD-SFHVURJKSA-N 1 1 413.537 3.450 40 0 HGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000257205730 558989026 /nfs/dbraw/zinc/98/90/26/558989026.db2.gz BAJDLLXLZXJYKP-KNQAVFIVSA-N 1 1 422.577 3.426 40 0 HGABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000257309209 559011502 /nfs/dbraw/zinc/01/15/02/559011502.db2.gz TZYYXZFSOYCCLX-IAGOWNOFSA-N 1 1 424.545 3.384 40 0 HGABMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)cc1 ZINC000585100077 559023709 /nfs/dbraw/zinc/02/37/09/559023709.db2.gz FAESMUOLYQFHKT-QFIPXVFZSA-N 1 1 406.592 3.202 40 0 HGABMO COc1ncc(C[N@H+]2C[C@H](C(=O)NCCC(C)(C)C)C3(C2)CCOCC3)cc1C ZINC000585102029 559025245 /nfs/dbraw/zinc/02/52/45/559025245.db2.gz ZJHQRRMWNKYANA-LJQANCHMSA-N 1 1 403.567 3.180 40 0 HGABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000585103137 559026359 /nfs/dbraw/zinc/02/63/59/559026359.db2.gz DNEQXRQMXJZJHX-UYAOXDASSA-N 1 1 406.592 3.287 40 0 HGABMO COc1cccc(C[N@@H+]2C[C@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@H]32)c1 ZINC000585107995 559029759 /nfs/dbraw/zinc/02/97/59/559029759.db2.gz SMAUHBPXDGGIEU-RBBKRZOGSA-N 1 1 400.544 3.040 40 0 HGABMO COc1cccc(C[N@H+]2C[C@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@H]32)c1 ZINC000585107995 559029761 /nfs/dbraw/zinc/02/97/61/559029761.db2.gz SMAUHBPXDGGIEU-RBBKRZOGSA-N 1 1 400.544 3.040 40 0 HGABMO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(Cc2ccc(C)o2)CC3)C1=O ZINC000096036464 559090251 /nfs/dbraw/zinc/09/02/51/559090251.db2.gz KYAVASLBWTXPKB-VWLOTQADSA-N 1 1 422.573 3.320 40 0 HGABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2ccc(C)o2)CC3)C1=O ZINC000096036464 559090253 /nfs/dbraw/zinc/09/02/53/559090253.db2.gz KYAVASLBWTXPKB-VWLOTQADSA-N 1 1 422.573 3.320 40 0 HGABMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)C2)n1 ZINC000096216216 559101842 /nfs/dbraw/zinc/10/18/42/559101842.db2.gz NSIASIFOYNHOHM-NRFANRHFSA-N 1 1 403.523 3.206 40 0 HGABMO Cn1cccc1C[N@H+]1CCOCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000096239876 559103542 /nfs/dbraw/zinc/10/35/42/559103542.db2.gz ORMUMXQJYKRRNX-UHFFFAOYSA-N 1 1 400.498 3.311 40 0 HGABMO COc1cccc(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 ZINC000096263670 559107187 /nfs/dbraw/zinc/10/71/87/559107187.db2.gz OFXUJLRWTVKLPS-IFMALSPDSA-N 1 1 400.544 3.121 40 0 HGABMO CN1C(=O)CCC[C@@H]2[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)CCC[C@@]21C ZINC000585262841 559111464 /nfs/dbraw/zinc/11/14/64/559111464.db2.gz KYPVOKDHHCINPH-UNMCSNQZSA-N 1 1 403.542 3.022 40 0 HGABMO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000585272266 559118079 /nfs/dbraw/zinc/11/80/79/559118079.db2.gz MQNHLCSXEOJGBT-QFIPXVFZSA-N 1 1 413.905 3.347 40 0 HGABMO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000585272266 559118082 /nfs/dbraw/zinc/11/80/82/559118082.db2.gz MQNHLCSXEOJGBT-QFIPXVFZSA-N 1 1 413.905 3.347 40 0 HGABMO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@@H+](Cc1cnc(C(C)C)nc1)C3 ZINC000100182308 559131589 /nfs/dbraw/zinc/13/15/89/559131589.db2.gz OJHQGIVPGVOZKF-UHFFFAOYSA-N 1 1 404.474 3.475 40 0 HGABMO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@H+](Cc1cnc(C(C)C)nc1)C3 ZINC000100182308 559131591 /nfs/dbraw/zinc/13/15/91/559131591.db2.gz OJHQGIVPGVOZKF-UHFFFAOYSA-N 1 1 404.474 3.475 40 0 HGABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCn3cccn3)cc2)c(C)c1 ZINC000257220999 559283599 /nfs/dbraw/zinc/28/35/99/559283599.db2.gz DNDHGTRDTFWNNR-QFIPXVFZSA-N 1 1 409.530 3.451 40 0 HGABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1 ZINC000575404349 560547157 /nfs/dbraw/zinc/54/71/57/560547157.db2.gz NCLNZZBXQZGOQB-LJQANCHMSA-N 1 1 404.514 3.316 40 0 HGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224388895 568579935 /nfs/dbraw/zinc/57/99/35/568579935.db2.gz VOZJXIWUIBHIQU-UHFFFAOYSA-N 1 1 424.526 3.041 40 0 HGABMO O=C(NCCSc1nc[nH]n1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906946 568685203 /nfs/dbraw/zinc/68/52/03/568685203.db2.gz XMSXEIOKCSFTIH-CYBMUJFWSA-N 1 1 414.362 3.232 40 0 HGABMO O=C(NCCSc1nc[nH]n1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906946 568685206 /nfs/dbraw/zinc/68/52/06/568685206.db2.gz XMSXEIOKCSFTIH-CYBMUJFWSA-N 1 1 414.362 3.232 40 0 HGABMO O=C(NCCSc1nc[nH]n1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909973 568685508 /nfs/dbraw/zinc/68/55/08/568685508.db2.gz YBOCRIAWUCNVPE-LBPRGKRZSA-N 1 1 414.362 3.232 40 0 HGABMO O=C(NCCSc1nc[nH]n1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909973 568685510 /nfs/dbraw/zinc/68/55/10/568685510.db2.gz YBOCRIAWUCNVPE-LBPRGKRZSA-N 1 1 414.362 3.232 40 0 HGABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(NCc4ccccc4)nc23)cn1 ZINC000247868311 568745830 /nfs/dbraw/zinc/74/58/30/568745830.db2.gz BZOQCHSYIMOUAP-XMMPIXPASA-N 1 1 417.513 3.166 40 0 HGABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000257243402 568788394 /nfs/dbraw/zinc/78/83/94/568788394.db2.gz IGUQCKGJSXTZGK-LJQANCHMSA-N 1 1 421.545 3.264 40 0 HGABMO CCCCC(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257296562 568803271 /nfs/dbraw/zinc/80/32/71/568803271.db2.gz RDIRYIPFHSEXRY-DEOSSOPVSA-N 1 1 415.578 3.029 40 0 HGABMO C[N@@H+](CCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1)Cc1cccnc1 ZINC000257303445 568805494 /nfs/dbraw/zinc/80/54/94/568805494.db2.gz SHGVTTGNAFRUSG-HXUWFJFHSA-N 1 1 422.508 3.115 40 0 HGABMO C[N@H+](CCC(=O)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1)Cc1cccnc1 ZINC000257303445 568805496 /nfs/dbraw/zinc/80/54/96/568805496.db2.gz SHGVTTGNAFRUSG-HXUWFJFHSA-N 1 1 422.508 3.115 40 0 HGABMO C[N@@H+](CCC(=O)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1)Cc1cccnc1 ZINC000257303445 568805497 /nfs/dbraw/zinc/80/54/97/568805497.db2.gz SHGVTTGNAFRUSG-HXUWFJFHSA-N 1 1 422.508 3.115 40 0 HGABMO C[N@H+](CCC(=O)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1)Cc1cccnc1 ZINC000257303445 568805499 /nfs/dbraw/zinc/80/54/99/568805499.db2.gz SHGVTTGNAFRUSG-HXUWFJFHSA-N 1 1 422.508 3.115 40 0 HGABMO C[N@@H+](CCC(=O)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1)Cc1cccnc1 ZINC000257303445 568805500 /nfs/dbraw/zinc/80/55/00/568805500.db2.gz SHGVTTGNAFRUSG-HXUWFJFHSA-N 1 1 422.508 3.115 40 0 HGABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)COC(C)=O)C[C@@H]32)cc1 ZINC000257332619 568813781 /nfs/dbraw/zinc/81/37/81/568813781.db2.gz XYAUOJYTFKRWGQ-WXFUMESZSA-N 1 1 422.525 3.075 40 0 HGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306123990 568887096 /nfs/dbraw/zinc/88/70/96/568887096.db2.gz BCMFGUKFQMKVQU-RTWAWAEBSA-N 1 1 419.456 3.437 40 0 HGABMO Cc1cc(CN2CCC[C@]3(C[N@H+](CCc4ccccc4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306124569 568887731 /nfs/dbraw/zinc/88/77/31/568887731.db2.gz BTRCRLOXUQDVGW-QFIPXVFZSA-N 1 1 416.516 3.421 40 0 HGABMO Cc1cc(CN2CCC[C@]3(C[N@@H+](CCc4ccccc4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306124569 568887733 /nfs/dbraw/zinc/88/77/33/568887733.db2.gz BTRCRLOXUQDVGW-QFIPXVFZSA-N 1 1 416.516 3.421 40 0 HGABMO CC(C)C[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1O2 ZINC000306125354 568888078 /nfs/dbraw/zinc/88/80/78/568888078.db2.gz CNHWYZPEIGWNMZ-QFIPXVFZSA-N 1 1 400.544 3.370 40 0 HGABMO c1cnc2c(c1)N(Cc1cccnc1)C[C@]21CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306126890 568889701 /nfs/dbraw/zinc/88/97/01/568889701.db2.gz FICHGSWVHOYGGL-XMMPIXPASA-N 1 1 400.482 3.369 40 0 HGABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccc(C)c4)C[C@H]2C3)cc1 ZINC000306128027 568890844 /nfs/dbraw/zinc/89/08/44/568890844.db2.gz GOFMJAADXKARMN-MOPGFXCFSA-N 1 1 417.513 3.152 40 0 HGABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccco2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306132897 568895109 /nfs/dbraw/zinc/89/51/09/568895109.db2.gz LVNMUJPGWVUTTO-XUZZJYLKSA-N 1 1 404.514 3.422 40 0 HGABMO COCCN1CC[C@]2(C[N@@H+](Cc3cccc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134939 568896953 /nfs/dbraw/zinc/89/69/53/568896953.db2.gz OBXYVHMFRUGUEZ-ZJSXRUAMSA-N 1 1 410.562 3.237 40 0 HGABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)c1 ZINC000306137983 568899973 /nfs/dbraw/zinc/89/99/73/568899973.db2.gz RLSKDMIMTGFOEC-ZWKOTPCHSA-N 1 1 405.477 3.282 40 0 HGABMO COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)cc1 ZINC000306140077 568901957 /nfs/dbraw/zinc/90/19/57/568901957.db2.gz UIZNOZDIRVHBIA-QFIPXVFZSA-N 1 1 416.543 3.131 40 0 HGABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)cc1 ZINC000306140077 568901959 /nfs/dbraw/zinc/90/19/59/568901959.db2.gz UIZNOZDIRVHBIA-QFIPXVFZSA-N 1 1 416.543 3.131 40 0 HGABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306143186 568904787 /nfs/dbraw/zinc/90/47/87/568904787.db2.gz XVHSNHPSXLPTOW-RBUKOAKNSA-N 1 1 421.932 3.166 40 0 HGABMO CCc1ccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cc1 ZINC000306143079 568904801 /nfs/dbraw/zinc/90/48/01/568904801.db2.gz XSRUACVSRXWUKU-DHLKQENFSA-N 1 1 424.589 3.491 40 0 HGABMO Cc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cc1C ZINC000306143427 568904858 /nfs/dbraw/zinc/90/48/58/568904858.db2.gz YCBPZYXDLLLHSW-FGZHOGPDSA-N 1 1 415.541 3.129 40 0 HGABMO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306144164 568905632 /nfs/dbraw/zinc/90/56/32/568905632.db2.gz YXXOJMQINNXWBE-DEOSSOPVSA-N 1 1 419.481 3.462 40 0 HGABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4scnc4C)C[C@@H]32)cc1 ZINC000306144653 568906067 /nfs/dbraw/zinc/90/60/67/568906067.db2.gz ZKZCNVVPSJHILW-UXHICEINSA-N 1 1 408.527 3.343 40 0 HGABMO COC(=O)c1ccc2c(c1)CCN(c1cc(C(C)C)[nH+]c(N[C@H](CO)C(C)C)n1)C2 ZINC000328994525 568971687 /nfs/dbraw/zinc/97/16/87/568971687.db2.gz JFGSEAQFLMRVGH-HXUWFJFHSA-N 1 1 412.534 3.378 40 0 HGABMO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)[nH+]c(C3CC3)n1)C2 ZINC000329047689 568974597 /nfs/dbraw/zinc/97/45/97/568974597.db2.gz UGIWFDQCQRLSLC-LJQANCHMSA-N 1 1 410.518 3.132 40 0 HGABMO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)nc(C3CC3)[nH+]1)C2 ZINC000329047689 568974598 /nfs/dbraw/zinc/97/45/98/568974598.db2.gz UGIWFDQCQRLSLC-LJQANCHMSA-N 1 1 410.518 3.132 40 0 HGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3ccncc3C)C1)O2 ZINC000012135345 569344662 /nfs/dbraw/zinc/34/46/62/569344662.db2.gz NWGAKYWNWYAROQ-HYBUGGRVSA-N 1 1 409.530 3.420 40 0 HGABMO CC(=O)N1CCC[C@H]1c1nc2c(c(NCCOc3cccc(C)c3C)n1)CC[N@@H+](C)C2 ZINC000019752908 569348730 /nfs/dbraw/zinc/34/87/30/569348730.db2.gz BIZCBLCICYBONS-NRFANRHFSA-N 1 1 423.561 3.256 40 0 HGABMO CC(=O)N1CCC[C@H]1c1nc2c(c(NCCOc3cccc(C)c3C)n1)CC[N@H+](C)C2 ZINC000019752908 569348731 /nfs/dbraw/zinc/34/87/31/569348731.db2.gz BIZCBLCICYBONS-NRFANRHFSA-N 1 1 423.561 3.256 40 0 HGABMO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2Cl)c1 ZINC000037020525 569351739 /nfs/dbraw/zinc/35/17/39/569351739.db2.gz MPKCKEGJOKMWTM-UHFFFAOYSA-N 1 1 423.966 3.439 40 0 HGABMO C[C@@H](CO)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C2CC2)[nH+]1 ZINC000328984891 571310328 /nfs/dbraw/zinc/31/03/28/571310328.db2.gz HQBRCHOAQQTPLS-LBPRGKRZSA-N 1 1 408.424 3.608 40 0 HGABMO CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(CN4CCCCC4)on3)C2(C)C)CC1 ZINC000067890340 291231800 /nfs/dbraw/zinc/23/18/00/291231800.db2.gz AHBLGJCQROYJDY-GCJKJVERSA-N 1 1 402.583 3.218 40 0 biogenic,in-vitro HGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000044880062 523021485 /nfs/dbraw/zinc/02/14/85/523021485.db2.gz RLTUPLOBBKCDDE-SFHVURJKSA-N 1 1 407.580 3.055 40 0 HGABMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000044882815 524062801 /nfs/dbraw/zinc/06/28/01/524062801.db2.gz FGYRJSKBHPDIRE-GOSISDBHSA-N 1 1 416.493 3.380 40 0 HGABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000035311545 557687214 /nfs/dbraw/zinc/68/72/14/557687214.db2.gz MQSKDMCMJQCIHE-UHFFFAOYSA-N 1 1 420.557 3.069 40 0 HGABMO Nc1nc(-c2ccccc2)nc2nc([C@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)ccc12 ZINC000019743307 558263743 /nfs/dbraw/zinc/26/37/43/558263743.db2.gz ILYGRFHCXLWRDU-SFHVURJKSA-N 1 1 416.529 3.076 40 0 HGABMO COc1ccc(CC(=O)N2CCC[C@@H]2c2c(C[NH+](C)C)cnc3cc(C)nn32)cc1 ZINC000019743536 558264245 /nfs/dbraw/zinc/26/42/45/558264245.db2.gz GSONCIAWGCBJRV-HXUWFJFHSA-N 1 1 407.518 3.014 40 0 HGABMO COCCNC(=O)c1cc([C@@H]2CC[N@@H+](Cc3cnc(C)s3)C2)nc2ccccc21 ZINC000019761102 558276378 /nfs/dbraw/zinc/27/63/78/558276378.db2.gz FOPLOHYKAYHPLI-MRXNPFEDSA-N 1 1 410.543 3.365 40 0 HGABMO CC(C)NC(=O)c1cc([C@@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761237 558276677 /nfs/dbraw/zinc/27/66/77/558276677.db2.gz BGEJTGBFZKJVDJ-GOSISDBHSA-N 1 1 418.545 3.219 40 0 HGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766286 558278463 /nfs/dbraw/zinc/27/84/63/558278463.db2.gz CKBPLDHMLWTILE-NRFANRHFSA-N 1 1 401.514 3.490 40 0 HGABMO O=C(C[N@@H+]1CCC[C@@H](c2ncncc2-c2ccncc2)C1)Nc1ccc2c(c1)OCO2 ZINC000012117164 558328743 /nfs/dbraw/zinc/32/87/43/558328743.db2.gz LLFGEXBBKUIBIZ-QGZVFWFLSA-N 1 1 417.469 3.085 40 0 HGABMO O=C(C[N@H+]1CCC[C@@H](c2ncncc2-c2ccncc2)C1)Nc1ccc2c(c1)OCO2 ZINC000012117164 558328750 /nfs/dbraw/zinc/32/87/50/558328750.db2.gz LLFGEXBBKUIBIZ-QGZVFWFLSA-N 1 1 417.469 3.085 40 0 HGABMO Cc1cc(-c2cncnc2[C@H]2CCC[N@H+](CC(=O)N3CCc4ccccc43)C2)on1 ZINC000012118406 558329868 /nfs/dbraw/zinc/32/98/68/558329868.db2.gz QGMXLQYYPBFHGG-SFHVURJKSA-N 1 1 403.486 3.209 40 0 HGABMO Cc1cc(-c2cncnc2[C@H]2CCC[N@@H+](CC(=O)N3CCc4ccccc43)C2)on1 ZINC000012118406 558329869 /nfs/dbraw/zinc/32/98/69/558329869.db2.gz QGMXLQYYPBFHGG-SFHVURJKSA-N 1 1 403.486 3.209 40 0 HGABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020495445 558380326 /nfs/dbraw/zinc/38/03/26/558380326.db2.gz BCVWPILVNYMRHU-UHFFFAOYSA-N 1 1 412.334 3.483 40 0 HGABMO OCCOCCOCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022588438 558500127 /nfs/dbraw/zinc/50/01/27/558500127.db2.gz VUFOCTSXHUWGPW-QHCPKHFHSA-N 1 1 418.965 3.073 40 0 in-man HGABMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 ZINC000036507695 558800005 /nfs/dbraw/zinc/80/00/05/558800005.db2.gz MQSZZIBOTGMDJA-AUFOZIDESA-N 1 1 412.530 3.352 40 0 HGABMO CC(=O)N1CCc2cc(NCc3cn(CC[NH+]4CCOCC4)c4ccccc34)ccc21 ZINC000019019244 558837415 /nfs/dbraw/zinc/83/74/15/558837415.db2.gz CVQYZHRIEOBBFM-UHFFFAOYSA-N 1 1 418.541 3.495 40 0 HGABMO Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)on1 ZINC000019122226 558843598 /nfs/dbraw/zinc/84/35/98/558843598.db2.gz YZQSCSJPLDNZMX-GOSISDBHSA-N 1 1 420.517 3.051 40 0 HGABMO Cc1c(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)COCCC(=O)N3)c2ccc(C)cc2n1C ZINC000019221441 558851991 /nfs/dbraw/zinc/85/19/91/558851991.db2.gz GGUPQLCNCOKRFM-DHLKQENFSA-N 1 1 418.541 3.065 40 0 HGABMO O=C1CCOC[C@]2(C[N@@H+](Cc3ccc(OC4CCCC4)cc3)C[C@H]2c2cccnc2)N1 ZINC000019340003 558871380 /nfs/dbraw/zinc/87/13/80/558871380.db2.gz PAAFXOJZMIUDJG-ZCYQVOJMSA-N 1 1 421.541 3.278 40 0 HGABMO O=C(c1ccc(F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCCOCC1 ZINC000019372509 558879903 /nfs/dbraw/zinc/87/99/03/558879903.db2.gz MCDFXQGYZIOSCK-FGZHOGPDSA-N 1 1 410.489 3.006 40 0 HGABMO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cc1OC(C)C ZINC000019450503 558888909 /nfs/dbraw/zinc/88/89/09/558888909.db2.gz OEGHEXDDQQJRLT-RJGXRXQPSA-N 1 1 410.558 3.345 40 0 HGABMO C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000019495960 558894873 /nfs/dbraw/zinc/89/48/73/558894873.db2.gz LRJJRJGCDCTXNE-XMMCJJCJSA-N 1 1 412.578 3.481 40 0 HGABMO CCOCc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)ccc1OC ZINC000019531196 558911879 /nfs/dbraw/zinc/91/18/79/558911879.db2.gz JXYITIWSSJXLES-TZRRMPRUSA-N 1 1 410.558 3.094 40 0 HGABMO CCOc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1OC ZINC000019533733 558913336 /nfs/dbraw/zinc/91/33/36/558913336.db2.gz AKRMOPBYDQUOBY-GOSISDBHSA-N 1 1 406.486 3.229 40 0 HGABMO COc1ccc([C@@H](NC(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)c2ccccc2)cc1 ZINC000019553321 558916609 /nfs/dbraw/zinc/91/66/09/558916609.db2.gz JDQHNFAGRDFFBK-UPVQGACJSA-N 1 1 421.541 3.034 40 0 HGABMO Cc1sc2ncn(CC3(O)CC[NH+](Cc4cccc(F)c4F)CC3)c(=O)c2c1C ZINC000019561567 558922118 /nfs/dbraw/zinc/92/21/18/558922118.db2.gz BTQSQXDLYYCBFP-UHFFFAOYSA-N 1 1 419.497 3.380 40 0 HGABMO C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC000019587621 558939875 /nfs/dbraw/zinc/93/98/75/558939875.db2.gz RRGQNNGSPXJTOA-WIYYLYMNSA-N 1 1 410.493 3.032 40 0 HGABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591328 558941622 /nfs/dbraw/zinc/94/16/22/558941622.db2.gz MGMKWPYONXMYTF-XMMPIXPASA-N 1 1 401.514 3.110 40 0 HGABMO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000072346064 558942634 /nfs/dbraw/zinc/94/26/34/558942634.db2.gz MHOFRWBSXMRXDK-AWEZNQCLSA-N 1 1 407.440 3.012 40 0 HGABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000072346064 558942637 /nfs/dbraw/zinc/94/26/37/558942637.db2.gz MHOFRWBSXMRXDK-AWEZNQCLSA-N 1 1 407.440 3.012 40 0 HGABMO COCCOc1cc(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)ccc1OC ZINC000019593615 558944624 /nfs/dbraw/zinc/94/46/24/558944624.db2.gz GGSOAUIXUFBSRH-FQEVSTJZSA-N 1 1 412.530 3.156 40 0 HGABMO COCCOc1cc(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)ccc1OC ZINC000019593614 558944636 /nfs/dbraw/zinc/94/46/36/558944636.db2.gz GGSOAUIXUFBSRH-HXUWFJFHSA-N 1 1 412.530 3.156 40 0 HGABMO COCCOc1ccc(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)cc1OC ZINC000019593745 558944813 /nfs/dbraw/zinc/94/48/13/558944813.db2.gz XIIDUTTVSDLZRS-HXUWFJFHSA-N 1 1 412.530 3.156 40 0 HGABMO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000019661020 558952110 /nfs/dbraw/zinc/95/21/10/558952110.db2.gz KCPYNWXFAMYVFE-JOCHJYFZSA-N 1 1 412.921 3.353 40 0 HGABMO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000019661020 558952112 /nfs/dbraw/zinc/95/21/12/558952112.db2.gz KCPYNWXFAMYVFE-JOCHJYFZSA-N 1 1 412.921 3.353 40 0 HGABMO COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000019664122 558954807 /nfs/dbraw/zinc/95/48/07/558954807.db2.gz WPNOUWUTQMDMAI-HSZRJFAPSA-N 1 1 408.477 3.164 40 0 HGABMO COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000019664122 558954810 /nfs/dbraw/zinc/95/48/10/558954810.db2.gz 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ZINC000019591905 558942681 /nfs/dbraw/zinc/94/26/81/558942681.db2.gz MAMPYZYMLKABQL-VWLOTQADSA-N 1 1 419.500 3.447 40 0 HGABMO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000019591905 558942684 /nfs/dbraw/zinc/94/26/84/558942684.db2.gz MAMPYZYMLKABQL-VWLOTQADSA-N 1 1 419.500 3.447 40 0 HGABMO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000019593236 558944371 /nfs/dbraw/zinc/94/43/71/558944371.db2.gz HYCNNXBSAHFYPV-VGOFRKELSA-N 1 1 403.473 3.466 40 0 HGABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1 ZINC000072352943 558949435 /nfs/dbraw/zinc/94/94/35/558949435.db2.gz RSPVRODVYWDRDD-IBGZPJMESA-N 1 1 420.513 3.367 40 0 HGABMO Cc1ccn(CCNC(=O)C2(Cc3cccc([C@H]4CCC[N@H+](C)C4)c3)CCOCC2)n1 ZINC000072372224 558959538 /nfs/dbraw/zinc/95/95/38/558959538.db2.gz HGWRZAKODFSUQD-QHCPKHFHSA-N 1 1 424.589 3.156 40 0 HGABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3S(=O)(=O)c3cn(C)cn3)c2)n1 ZINC000072372718 558960663 /nfs/dbraw/zinc/96/06/63/558960663.db2.gz JSNXMONAFMMWLN-INIZCTEOSA-N 1 1 418.548 3.158 40 0 HGABMO CCc1nnc(Nc2cccc([C@@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)n2)s1 ZINC000072375945 558965161 /nfs/dbraw/zinc/96/51/61/558965161.db2.gz MRTROMBQUFZXLI-OAHLLOKOSA-N 1 1 400.552 3.041 40 0 HGABMO Cc1cccc(C[N@@H+]2CCO[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)n1 ZINC000072389032 558969348 /nfs/dbraw/zinc/96/93/48/558969348.db2.gz VPAGRLHREXDIGP-RUZDIDTESA-N 1 1 401.510 3.356 40 0 HGABMO Cc1cccc(C[N@H+]2CCO[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)n1 ZINC000072389032 558969350 /nfs/dbraw/zinc/96/93/50/558969350.db2.gz VPAGRLHREXDIGP-RUZDIDTESA-N 1 1 401.510 3.356 40 0 HGABMO CNc1nc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)nc2c1CC[N@H+](C)C2 ZINC000019707509 558969904 /nfs/dbraw/zinc/96/99/04/558969904.db2.gz PBCZJVKJSOKYCT-NRFANRHFSA-N 1 1 418.545 3.284 40 0 HGABMO CNc1nc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)nc2c1CC[N@@H+](C)C2 ZINC000019707509 558969906 /nfs/dbraw/zinc/96/99/06/558969906.db2.gz PBCZJVKJSOKYCT-NRFANRHFSA-N 1 1 418.545 3.284 40 0 HGABMO Cc1cc2c(cc1C[N@H+]1CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C1)OCO2 ZINC000072393270 558972638 /nfs/dbraw/zinc/97/26/38/558972638.db2.gz CVOLSSIDFMAHPS-INIZCTEOSA-N 1 1 404.470 3.249 40 0 HGABMO CCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccc(F)cc21 ZINC000072394818 558973844 /nfs/dbraw/zinc/97/38/44/558973844.db2.gz NDJCREJKNMEMCJ-VXMMSVGHSA-N 1 1 424.520 3.224 40 0 HGABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)c1C ZINC000019715499 558976485 /nfs/dbraw/zinc/97/64/85/558976485.db2.gz UAAVDCNCPFARIX-INIZCTEOSA-N 1 1 412.513 3.428 40 0 HGABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)c1C ZINC000019715499 558976487 /nfs/dbraw/zinc/97/64/87/558976487.db2.gz UAAVDCNCPFARIX-INIZCTEOSA-N 1 1 412.513 3.428 40 0 HGABMO C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C1 ZINC000585104476 559027001 /nfs/dbraw/zinc/02/70/01/559027001.db2.gz OZZNCBPKNORVDN-OFNKIYASSA-N 1 1 413.606 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CC(C)c1ccc(CN2CC[C@]3(CC(C(=O)N4CCC([NH+](C)C)CC4)=NO3)C2)cc1 ZINC000096225682 559102518 /nfs/dbraw/zinc/10/25/18/559102518.db2.gz QJLUJDFCDCCWKG-DEOSSOPVSA-N 1 1 412.578 3.083 40 0 HGABMO COc1ncccc1C[N@H+]1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 ZINC000096242547 559104129 /nfs/dbraw/zinc/10/41/29/559104129.db2.gz VQWISOYZWGYJNJ-UHFFFAOYSA-N 1 1 401.514 3.434 40 0 HGABMO CC(=O)N1CCCC[C@H]2[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)CCC[C@@]21C ZINC000585262860 559111612 /nfs/dbraw/zinc/11/16/12/559111612.db2.gz MILRQWXVUKLGCM-PKTZIBPZSA-N 1 1 417.569 3.413 40 0 HGABMO CC(=O)N1CCCC[C@H]2[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)CCC[C@@]21C ZINC000585262950 559111630 /nfs/dbraw/zinc/11/16/30/559111630.db2.gz QZKXDGBLPHYJQY-PKTZIBPZSA-N 1 1 417.569 3.413 40 0 HGABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](CC(=O)NCc3cccc(F)c3)C2)c1 ZINC000585271635 559116482 /nfs/dbraw/zinc/11/64/82/559116482.db2.gz BDUYHEKKRVVDTJ-QFIPXVFZSA-N 1 1 420.912 3.310 40 0 HGABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](CC(=O)NCc3cccc(F)c3)C2)c1 ZINC000585271635 559116484 /nfs/dbraw/zinc/11/64/84/559116484.db2.gz BDUYHEKKRVVDTJ-QFIPXVFZSA-N 1 1 420.912 3.310 40 0 HGABMO COCCOc1cc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)ccc1OC ZINC000257205423 559282420 /nfs/dbraw/zinc/28/24/20/559282420.db2.gz AYYWJDKWVKQBKO-QHCPKHFHSA-N 1 1 401.503 3.126 40 0 HGABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](CCCc4ccccc4)C[C@H]2N(C)C3=O)cn1 ZINC000514289024 560033458 /nfs/dbraw/zinc/03/34/58/560033458.db2.gz FGMRFVMSXYJEPD-VWNXMTODSA-N 1 1 416.525 3.237 40 0 biogenic,in-vitro HGABMO Cn1ccc2cc(C(=O)N3CC4(C3)C[C@@H](COCc3cccnc3)CC[N@H+]4C)ccc21 ZINC000575404295 560547106 /nfs/dbraw/zinc/54/71/06/560547106.db2.gz ROSILEHFFPKKDM-IBGZPJMESA-N 1 1 418.541 3.327 40 0 HGABMO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000409415191 560723460 /nfs/dbraw/zinc/72/34/60/560723460.db2.gz WJXXWLHUWHORMV-JHZIQSPXSA-N 1 1 423.557 3.050 40 0 HGABMO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000409415190 560723471 /nfs/dbraw/zinc/72/34/71/560723471.db2.gz WJXXWLHUWHORMV-DTVSBSJESA-N 1 1 423.557 3.050 40 0 HGABMO CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020027097 560880041 /nfs/dbraw/zinc/88/00/41/560880041.db2.gz GGVOXCMJJBEUOG-UHFFFAOYSA-N 1 1 415.559 3.298 40 0 HGABMO O=C(Cc1cccc(Br)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224756667 568595542 /nfs/dbraw/zinc/59/55/42/568595542.db2.gz ATPBACPHNIQGAK-UHFFFAOYSA-N 1 1 403.320 3.140 40 0 HGABMO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000225579071 568653602 /nfs/dbraw/zinc/65/36/02/568653602.db2.gz JSYPYJIRCQPAQL-UHFFFAOYSA-N 1 1 410.917 3.493 40 0 HGABMO O=C(NCCSc1nc[nH]n1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909958 568685502 /nfs/dbraw/zinc/68/55/02/568685502.db2.gz YBOCRIAWUCNVPE-GFCCVEGCSA-N 1 1 414.362 3.232 40 0 HGABMO O=C(NCCSc1nc[nH]n1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909958 568685503 /nfs/dbraw/zinc/68/55/03/568685503.db2.gz YBOCRIAWUCNVPE-GFCCVEGCSA-N 1 1 414.362 3.232 40 0 HGABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257212077 568779531 /nfs/dbraw/zinc/77/95/31/568779531.db2.gz CBVGLQQPOMOTKT-XMMPIXPASA-N 1 1 402.498 3.075 40 0 HGABMO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@H+]2Cc1cccs1 ZINC000257218061 568781211 /nfs/dbraw/zinc/78/12/11/568781211.db2.gz DBRWYWGTYOKADK-NJDAHSKKSA-N 1 1 400.544 3.220 40 0 HGABMO Cc1c(NC(=O)C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)cnn1C ZINC000257228336 568784590 /nfs/dbraw/zinc/78/45/90/568784590.db2.gz FTLCVOVDTDWFLY-UHFFFAOYSA-N 1 1 405.506 3.080 40 0 HGABMO Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4cnc(C)cn4)CCO3)c2)n1 ZINC000257242470 568788057 /nfs/dbraw/zinc/78/80/57/568788057.db2.gz ICSDPQDAYBAXRH-FQEVSTJZSA-N 1 1 404.474 3.149 40 0 HGABMO CCn1c(CCCC(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3C)[C@@H]2O)nc2ccccc21 ZINC000257256179 568791910 /nfs/dbraw/zinc/79/19/10/568791910.db2.gz KKJQINSNVKMQBC-KKLQWCBXSA-N 1 1 409.534 3.155 40 0 HGABMO CCCN1CC[N@@H+](CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257282156 568799062 /nfs/dbraw/zinc/79/90/62/568799062.db2.gz OSPALTNXWVKFED-FQEVSTJZSA-N 1 1 411.521 3.081 40 0 HGABMO c1cn2nc(C[C@H]3COCC[N@@H+](Cc4cccc(Oc5ncccn5)c4)C3)ccc2n1 ZINC000257306237 568806362 /nfs/dbraw/zinc/80/63/62/568806362.db2.gz STJZQBFYBHBEMF-LJQANCHMSA-N 1 1 416.485 3.003 40 0 HGABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257306413 568806430 /nfs/dbraw/zinc/80/64/30/568806430.db2.gz SUEUSIVAUHZOJG-RUZDIDTESA-N 1 1 416.525 3.335 40 0 HGABMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2Br)CC1 ZINC000026781833 568831641 /nfs/dbraw/zinc/83/16/41/568831641.db2.gz MHVPGFOINPXFDO-MRXNPFEDSA-N 1 1 421.335 3.020 40 0 HGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306123989 568887104 /nfs/dbraw/zinc/88/71/04/568887104.db2.gz BCMFGUKFQMKVQU-NHCUHLMSSA-N 1 1 419.456 3.437 40 0 HGABMO COc1ncccc1C[NH+]1CCC2(CC1)c1ccccc1N(CC(C)C)S2(=O)=O ZINC000306126870 568889640 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PPAOJJOCTQWQIC-FQEVSTJZSA-N 1 1 401.518 3.455 40 0 HGABMO Cc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1C ZINC000306143429 568905024 /nfs/dbraw/zinc/90/50/24/568905024.db2.gz YCBPZYXDLLLHSW-YADHBBJMSA-N 1 1 415.541 3.129 40 0 HGABMO CCc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306144296 568905699 /nfs/dbraw/zinc/90/56/99/568905699.db2.gz ZBTPUXQYSXDDDA-PMACEKPBSA-N 1 1 401.514 3.397 40 0 HGABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4scnc4C)C[C@@H]32)cc1 ZINC000306144652 568906026 /nfs/dbraw/zinc/90/60/26/568906026.db2.gz ZKZCNVVPSJHILW-PMACEKPBSA-N 1 1 408.527 3.343 40 0 HGABMO O=C(c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002776930 568932049 /nfs/dbraw/zinc/93/20/49/568932049.db2.gz RLXRTJOGRSMXIS-HNNXBMFYSA-N 1 1 415.419 3.393 40 0 HGABMO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](CO)C(C)C)nc(C(C)C)[nH+]1)C2 ZINC000329025290 568973559 /nfs/dbraw/zinc/97/35/59/568973559.db2.gz PFKUQZVGTUEUCQ-IBGZPJMESA-N 1 1 412.534 3.378 40 0 HGABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)CC1 ZINC000006953576 569335730 /nfs/dbraw/zinc/33/57/30/569335730.db2.gz FXSKLSVDTWWDOH-UHFFFAOYSA-N 1 1 413.543 3.026 40 0 HGABMO Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000017357781 569345152 /nfs/dbraw/zinc/34/51/52/569345152.db2.gz IACSJZNAMVMFHE-UHFFFAOYSA-N 1 1 405.542 3.192 40 0 HGABMO Cn1cc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 ZINC000019290670 569345390 /nfs/dbraw/zinc/34/53/90/569345390.db2.gz PKBWIODTSVJKRX-XUZZJYLKSA-N 1 1 403.530 3.127 40 0 HGABMO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000019455877 569345448 /nfs/dbraw/zinc/34/54/48/569345448.db2.gz CYTBWQLIRQCWPO-TZIWHRDSSA-N 1 1 422.573 3.021 40 0 HGABMO COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000225422794 291237661 /nfs/dbraw/zinc/23/76/61/291237661.db2.gz RJABDOKYGPVSAC-GOSISDBHSA-N 1 1 419.566 3.377 40 0 biogenic,in-vitro HGABMO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCCCC2)on1)NCc1ccccc1 ZINC000012482398 291242992 /nfs/dbraw/zinc/24/29/92/291242992.db2.gz JGBRALCDJFBZIT-SFTDATJTSA-N 1 1 410.562 3.135 40 0 biogenic,in-vitro HGABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000012328669 132358919 /nfs/dbraw/zinc/35/89/19/132358919.db2.gz SXLHFCDDVOQWGI-UHFFFAOYSA-N 1 1 411.525 3.233 40 0 HGABMO Cc1cc2nc([C@H]3CCC[N@H+](C[C@@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 ZINC000072339786 525678922 /nfs/dbraw/zinc/67/89/22/525678922.db2.gz CSUSDDAYRNWWRA-YJBOKZPZSA-N 1 1 407.518 3.407 40 0 HGABMO COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000001222758 557248357 /nfs/dbraw/zinc/24/83/57/557248357.db2.gz DHAXHPQNPBUGTD-IBGZPJMESA-N 1 1 410.522 3.244 40 0 HGABMO Cn1ccc(C(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)cc1=O ZINC000012088157 558322857 /nfs/dbraw/zinc/32/28/57/558322857.db2.gz VVFWMYNLPDFBKF-KRWDZBQOSA-N 1 1 407.518 3.263 40 0 HGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020039259 558325650 /nfs/dbraw/zinc/32/56/50/558325650.db2.gz BDNQPDDFHGLAHJ-OAHLLOKOSA-N 1 1 401.960 3.096 40 0 HGABMO Cc1cc(-c2cncnc2[C@@H]2CCC[N@H+](CC(=O)N3CCc4ccccc43)C2)on1 ZINC000012118405 558329845 /nfs/dbraw/zinc/32/98/45/558329845.db2.gz QGMXLQYYPBFHGG-GOSISDBHSA-N 1 1 403.486 3.209 40 0 HGABMO Cc1cc(-c2cncnc2[C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccccc43)C2)on1 ZINC000012118405 558329846 /nfs/dbraw/zinc/32/98/46/558329846.db2.gz QGMXLQYYPBFHGG-GOSISDBHSA-N 1 1 403.486 3.209 40 0 HGABMO Cc1sc2nc(C3CC3)n(C3CC[NH+](CC(=O)N4CCCC4)CC3)c(=O)c2c1C ZINC000012184947 558344465 /nfs/dbraw/zinc/34/44/65/558344465.db2.gz QCBORHXXMSTKGG-UHFFFAOYSA-N 1 1 414.575 3.212 40 0 HGABMO COc1ccc(-c2ncc(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)cn2)cc1 ZINC000012185837 558345266 /nfs/dbraw/zinc/34/52/66/558345266.db2.gz YQKBUDPBVWVKRR-INIZCTEOSA-N 1 1 407.470 3.264 40 0 HGABMO COc1ccc(-c2ncc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)cn2)cc1 ZINC000012185837 558345269 /nfs/dbraw/zinc/34/52/69/558345269.db2.gz YQKBUDPBVWVKRR-INIZCTEOSA-N 1 1 407.470 3.264 40 0 HGABMO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC[NH+](C)C)ccc1Cl ZINC000013670680 558562174 /nfs/dbraw/zinc/56/21/74/558562174.db2.gz ITPCCJFKPYKERK-UHFFFAOYSA-N 1 1 409.939 3.131 40 0 HGABMO COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030940030 558745405 /nfs/dbraw/zinc/74/54/05/558745405.db2.gz PUPWYGIJZYYFCV-SFHVURJKSA-N 1 1 413.493 3.053 40 0 HGABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000036741209 558802131 /nfs/dbraw/zinc/80/21/31/558802131.db2.gz LFWQSCDXWXCRGA-UKILVPOCSA-N 1 1 424.541 3.011 40 0 HGABMO Cc1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000038850164 558818619 /nfs/dbraw/zinc/81/86/19/558818619.db2.gz MVXDUKLRAWYYFN-LJQANCHMSA-N 1 1 422.504 3.474 40 0 HGABMO COc1ccc(-n2nnc(C(C)=O)c2NC[C@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000019023100 558838349 /nfs/dbraw/zinc/83/83/49/558838349.db2.gz XDTSPDRWWWRMOX-LJQANCHMSA-N 1 1 409.490 3.202 40 0 HGABMO C[NH+]1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)CC1 ZINC000019081189 558839417 /nfs/dbraw/zinc/83/94/17/558839417.db2.gz HBYHMFNATPKXHY-IBGZPJMESA-N 1 1 422.577 3.043 40 0 HGABMO COc1cc2c(cc1CN(CCC[NH+]1CCOCC1)Cc1ccc(C)o1)OCO2 ZINC000019216432 558850366 /nfs/dbraw/zinc/85/03/66/558850366.db2.gz GOQHZSSXJVDLMS-UHFFFAOYSA-N 1 1 402.491 3.050 40 0 HGABMO COc1cc2c(cc1C[N@H+](CCCN1CCOCC1)Cc1ccc(C)o1)OCO2 ZINC000019216432 558850368 /nfs/dbraw/zinc/85/03/68/558850368.db2.gz GOQHZSSXJVDLMS-UHFFFAOYSA-N 1 1 402.491 3.050 40 0 HGABMO COc1cc2c(cc1C[N@@H+](CCCN1CCOCC1)Cc1ccc(C)o1)OCO2 ZINC000019216432 558850369 /nfs/dbraw/zinc/85/03/69/558850369.db2.gz GOQHZSSXJVDLMS-UHFFFAOYSA-N 1 1 402.491 3.050 40 0 HGABMO COc1ccccc1-c1ccccc1C[C@H]1C[N@@H+](Cc2cnc(C)nc2)CCNC1=O ZINC000019287239 558860888 /nfs/dbraw/zinc/86/08/88/558860888.db2.gz JFZXEWJAGVNRSL-NRFANRHFSA-N 1 1 416.525 3.251 40 0 HGABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)no1)N1CCC(O)CC1 ZINC000019293404 558865078 /nfs/dbraw/zinc/86/50/78/558865078.db2.gz CVWVRMLGLWYMEP-INIZCTEOSA-N 1 1 403.910 3.305 40 0 HGABMO O=C(c1cnccn1)N1C[C@H](c2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@H]21 ZINC000019334305 558869562 /nfs/dbraw/zinc/86/95/62/558869562.db2.gz CHEMORQMPPMOPU-MQSCRBSSSA-N 1 1 406.530 3.107 40 0 HGABMO O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019370658 558878826 /nfs/dbraw/zinc/87/88/26/558878826.db2.gz NDXYHRBOCASWKL-LJQANCHMSA-N 1 1 420.557 3.019 40 0 HGABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1cc(C)ccc1C ZINC000019500308 558898579 /nfs/dbraw/zinc/89/85/79/558898579.db2.gz ZMJBBWPCJHYFFK-LJQANCHMSA-N 1 1 414.619 3.420 40 0 HGABMO CCCc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)no1 ZINC000019525341 558906723 /nfs/dbraw/zinc/90/67/23/558906723.db2.gz AEKPLOYCTUMCRT-LJQANCHMSA-N 1 1 413.522 3.257 40 0 HGABMO CCOc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1 ZINC000019533334 558913029 /nfs/dbraw/zinc/91/30/29/558913029.db2.gz UBRCLFUKJSTSCO-QHCPKHFHSA-N 1 1 424.520 3.362 40 0 HGABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019551509 558915684 /nfs/dbraw/zinc/91/56/84/558915684.db2.gz UIBLVSZDBWXBJT-XOKHGSTOSA-N 1 1 407.465 3.198 40 0 HGABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2ccncc2)CCO1 ZINC000019580922 558936482 /nfs/dbraw/zinc/93/64/82/558936482.db2.gz KFNQXUXILIAROE-RUZDIDTESA-N 1 1 416.525 3.046 40 0 HGABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2ccncc2)CCO1 ZINC000019580922 558936483 /nfs/dbraw/zinc/93/64/83/558936483.db2.gz KFNQXUXILIAROE-RUZDIDTESA-N 1 1 416.525 3.046 40 0 HGABMO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000072341155 558939530 /nfs/dbraw/zinc/93/95/30/558939530.db2.gz UPWQTROJLCCSMB-JOCHJYFZSA-N 1 1 415.497 3.031 40 0 HGABMO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000072341155 558939532 /nfs/dbraw/zinc/93/95/32/558939532.db2.gz UPWQTROJLCCSMB-JOCHJYFZSA-N 1 1 415.497 3.031 40 0 HGABMO COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000019664119 558954620 /nfs/dbraw/zinc/95/46/20/558954620.db2.gz WPNOUWUTQMDMAI-QHCPKHFHSA-N 1 1 408.477 3.164 40 0 HGABMO COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000019664119 558954622 /nfs/dbraw/zinc/95/46/22/558954622.db2.gz WPNOUWUTQMDMAI-QHCPKHFHSA-N 1 1 408.477 3.164 40 0 HGABMO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1)NC1CCCCC1 ZINC000072371247 558957957 /nfs/dbraw/zinc/95/79/57/558957957.db2.gz IRZFROVPHVAEGK-QGZVFWFLSA-N 1 1 414.525 3.409 40 0 HGABMO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1)NC1CCCCC1 ZINC000072371247 558957960 /nfs/dbraw/zinc/95/79/60/558957960.db2.gz IRZFROVPHVAEGK-QGZVFWFLSA-N 1 1 414.525 3.409 40 0 HGABMO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)NC1CCCCC1 ZINC000072371247 558957963 /nfs/dbraw/zinc/95/79/63/558957963.db2.gz IRZFROVPHVAEGK-QGZVFWFLSA-N 1 1 414.525 3.409 40 0 HGABMO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)NC1CCCCC1 ZINC000072371247 558957967 /nfs/dbraw/zinc/95/79/67/558957967.db2.gz IRZFROVPHVAEGK-QGZVFWFLSA-N 1 1 414.525 3.409 40 0 HGABMO Cc1ccnn1CCNC(=O)C1(Cc2cccc([C@@H]3CCC[N@H+](C)C3)c2)CCOCC1 ZINC000072372225 558959489 /nfs/dbraw/zinc/95/94/89/558959489.db2.gz WAINUXBZYLSARP-HSZRJFAPSA-N 1 1 424.589 3.156 40 0 HGABMO CC(=O)N1CCc2c(nc([C@@H]3CCC[N@H+](C)C3)nc2NCCc2cccc(C)c2)C1 ZINC000072373391 558961108 /nfs/dbraw/zinc/96/11/08/558961108.db2.gz HABRQNJFNUTJER-HXUWFJFHSA-N 1 1 407.562 3.153 40 0 HGABMO Cc1nc(-c2ccc(CNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)cc2)ccc1C(N)=O ZINC000019700593 558966884 /nfs/dbraw/zinc/96/68/84/558966884.db2.gz IQPZFVFVPUNTFY-INIZCTEOSA-N 1 1 405.502 3.353 40 0 HGABMO Cc1nc(-c2ccc(CNC(=O)[C@@H](C)n3cc[nH+]c3C(C)C)cc2)ccc1C(N)=O ZINC000019700594 558966949 /nfs/dbraw/zinc/96/69/49/558966949.db2.gz 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423.557 3.217 40 0 HGABMO COc1ccc2c(c1)c([C@@H]1C[N@@H+](Cc3ccc(OC)c(CO)c3)C[C@H]1N(C)C)cn2C ZINC000072395539 558974574 /nfs/dbraw/zinc/97/45/74/558974574.db2.gz NMCNQOFBFUKZAP-LADGPHEKSA-N 1 1 423.557 3.217 40 0 HGABMO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@H+](C)Cc4cccnc4)C3)CC2)s1 ZINC000585104641 559027115 /nfs/dbraw/zinc/02/71/15/559027115.db2.gz SKXVWTRMGJWALI-IBGZPJMESA-N 1 1 414.575 3.298 40 0 HGABMO CCN1CC[C@@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2cccc(F)c2)CC3)C1=O ZINC000096144328 559096650 /nfs/dbraw/zinc/09/66/50/559096650.db2.gz HKLONIQFPCZROU-XMMPIXPASA-N 1 1 415.553 3.258 40 0 HGABMO COc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145398 559097272 /nfs/dbraw/zinc/09/72/72/559097272.db2.gz LRHMEKLMVWPCAT-IFMALSPDSA-N 1 1 400.544 3.121 40 0 HGABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c[nH+]c(N3CCOCC3)cc2C)cc1 ZINC000072219409 559169765 /nfs/dbraw/zinc/16/97/65/559169765.db2.gz ONMQBLFGNCQBLG-HXUWFJFHSA-N 1 1 401.532 3.061 40 0 HGABMO Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1CNC(=O)OC(C)(C)C ZINC000072224695 559169913 /nfs/dbraw/zinc/16/99/13/559169913.db2.gz MTHUUOITKXYTCM-UHFFFAOYSA-N 1 1 406.527 3.472 40 0 HGABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@@H](O)COc3ccccc3)cc2)n1 ZINC000257267112 559284929 /nfs/dbraw/zinc/28/49/29/559284929.db2.gz MGAOWTPDGPKIMD-JOCHJYFZSA-N 1 1 409.530 3.451 40 0 HGABMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000013570260 560814324 /nfs/dbraw/zinc/81/43/24/560814324.db2.gz PHGOYCMXXTTZJU-UHFFFAOYSA-N 1 1 402.498 3.483 40 0 HGABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000013570260 560814326 /nfs/dbraw/zinc/81/43/26/560814326.db2.gz PHGOYCMXXTTZJU-UHFFFAOYSA-N 1 1 402.498 3.483 40 0 HGABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000020141316 560881613 /nfs/dbraw/zinc/88/16/13/560881613.db2.gz SMERUTNGBARHNP-FQEVSTJZSA-N 1 1 414.916 3.241 40 0 HGABMO COc1cc(NC(=S)NCCCNc2cc[nH+]c3cc(Cl)ccc23)ncn1 ZINC000225219809 568624011 /nfs/dbraw/zinc/62/40/11/568624011.db2.gz NQSYOKGMKVFGGI-UHFFFAOYSA-N 1 1 402.911 3.475 40 0 HGABMO COc1cccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000225824615 568678007 /nfs/dbraw/zinc/67/80/07/568678007.db2.gz FFVHZEUTSSIUHW-UHFFFAOYSA-N 1 1 406.486 3.022 40 0 HGABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCc2nc3ccccc3n2C)[C@H]1O ZINC000257238520 568787067 /nfs/dbraw/zinc/78/70/67/568787067.db2.gz HLJYMAQSNNTIRL-TXTKFYIRSA-N 1 1 409.534 3.014 40 0 HGABMO Cc1nccc(C[C@H]2CC[C@@H]3C[N@@H+](CC(=O)Nc4ccnn4C4CCCC4)C[C@H]23)n1 ZINC000257274826 568797064 /nfs/dbraw/zinc/79/70/64/568797064.db2.gz NMULMOINMXWZBI-DBXWQHBBSA-N 1 1 408.550 3.236 40 0 HGABMO COc1cc2c(cc1C[N@H+]1CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C1)OCCCO2 ZINC000257319226 568810064 /nfs/dbraw/zinc/81/00/64/568810064.db2.gz VRJRGUXSSZWPTA-MRXNPFEDSA-N 1 1 421.501 3.213 40 0 HGABMO c1cn2cc(C[C@H]3COCC[N@@H+](Cc4ccccc4N4CCCCC4)C3)ncc2n1 ZINC000257334383 568814418 /nfs/dbraw/zinc/81/44/18/568814418.db2.gz 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40 0 HGABMO Cn1cc(C[NH+]2CCC3(CC2)c2ccccc2N(Cc2ccccc2)S3(=O)=O)cn1 ZINC000306139022 568900881 /nfs/dbraw/zinc/90/08/81/568900881.db2.gz SNHFSWRFWCNHQG-UHFFFAOYSA-N 1 1 422.554 3.261 40 0 HGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccc1 ZINC000306140285 568902024 /nfs/dbraw/zinc/90/20/24/568902024.db2.gz UOWICAOSLDFADU-SFTDATJTSA-N 1 1 401.466 3.298 40 0 HGABMO CCc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cc1 ZINC000306144299 568905582 /nfs/dbraw/zinc/90/55/82/568905582.db2.gz ZBTPUXQYSXDDDA-WOJBJXKFSA-N 1 1 401.514 3.397 40 0 HGABMO COC(=O)c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n1)C2 ZINC000329070661 568975793 /nfs/dbraw/zinc/97/57/93/568975793.db2.gz ZJHYMPKCFBZGTF-FQEVSTJZSA-N 1 1 410.518 3.132 40 0 HGABMO C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000040119359 569048124 /nfs/dbraw/zinc/04/81/24/569048124.db2.gz BRNMUYUTPMOACZ-KZRPNXHXSA-N 1 1 417.550 3.475 40 0 HGABMO O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253413552 569058201 /nfs/dbraw/zinc/05/82/01/569058201.db2.gz VBSIUGOTPKTTKF-KKIGLAAZSA-N 1 1 410.514 3.216 40 0 HGABMO O[C@H](C[N@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000247758498 569315445 /nfs/dbraw/zinc/31/54/45/569315445.db2.gz FXGUBIVSHDAYFI-NFBKMPQASA-N 1 1 401.478 3.394 40 0 HGABMO Cc1cc2nc([C@H]3CCC[N@H+](C[C@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 ZINC000248329179 569316752 /nfs/dbraw/zinc/31/67/52/569316752.db2.gz CSUSDDAYRNWWRA-QAPCUYQASA-N 1 1 407.518 3.407 40 0 HGABMO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3ncncc3-c3noc(C)n3)C2)c(C)c1C ZINC000019693770 569346573 /nfs/dbraw/zinc/34/65/73/569346573.db2.gz KCBKNPAABVOBPD-HXUWFJFHSA-N 1 1 409.490 3.342 40 0 HGABMO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3ncncc3-c3noc(C)n3)C2)c(C)c1C ZINC000019693770 569346574 /nfs/dbraw/zinc/34/65/74/569346574.db2.gz KCBKNPAABVOBPD-HXUWFJFHSA-N 1 1 409.490 3.342 40 0 HGABMO CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000019702033 569347360 /nfs/dbraw/zinc/34/73/60/569347360.db2.gz WIMPBWHDIIFIFR-SFHVURJKSA-N 1 1 409.555 3.393 40 0 HGABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccccc5F)c43)C2)CC1 ZINC000008635279 291231758 /nfs/dbraw/zinc/23/17/58/291231758.db2.gz MAGXBKUVFIPCTB-ZWKOTPCHSA-N 1 1 409.505 3.084 40 0 biogenic,in-vitro HGABMO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C(N)=O)CC4)cc3)cc12 ZINC000012088315 132353687 /nfs/dbraw/zinc/35/36/87/132353687.db2.gz HLVFBSWKTCTZFS-UHFFFAOYSA-N 1 1 404.514 3.459 40 0 HGABMO Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)ccc12 ZINC000019743306 558263830 /nfs/dbraw/zinc/26/38/30/558263830.db2.gz ILYGRFHCXLWRDU-GOSISDBHSA-N 1 1 416.529 3.076 40 0 HGABMO CCCc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 ZINC000012235570 558358562 /nfs/dbraw/zinc/35/85/62/558358562.db2.gz WARHGDVHAMOJPZ-OFNKIYASSA-N 1 1 408.546 3.451 40 0 HGABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2Cl)c(C)c1 ZINC000037020528 558443002 /nfs/dbraw/zinc/44/30/02/558443002.db2.gz QPAZTEAZBWIQLF-UHFFFAOYSA-N 1 1 409.939 3.049 40 0 HGABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2Cl)c1C ZINC000013669617 558561355 /nfs/dbraw/zinc/56/13/55/558561355.db2.gz FKZXXQUMFMHXTD-UHFFFAOYSA-N 1 1 409.939 3.049 40 0 HGABMO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000030946329 558746533 /nfs/dbraw/zinc/74/65/33/558746533.db2.gz XXVPIGODOTVKCD-UHFFFAOYSA-N 1 1 416.319 3.399 40 0 HGABMO Cc1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000036734291 558801231 /nfs/dbraw/zinc/80/12/31/558801231.db2.gz SSIKNOMZEAAOPT-UGKGYDQZSA-N 1 1 411.525 3.095 40 0 HGABMO O=S(=O)(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)ccc1Cl ZINC000047266653 558841931 /nfs/dbraw/zinc/84/19/31/558841931.db2.gz DOBFYWGSIXWLKD-UHFFFAOYSA-N 1 1 415.342 3.304 40 0 HGABMO Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000019291300 558863912 /nfs/dbraw/zinc/86/39/12/558863912.db2.gz ATHZOPWLUAKWTM-DHIUTWEWSA-N 1 1 421.589 3.061 40 0 HGABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)no1)N1CCC(O)CC1 ZINC000019334002 558869244 /nfs/dbraw/zinc/86/92/44/558869244.db2.gz LHDGJYRKCQPKCF-INIZCTEOSA-N 1 1 403.910 3.305 40 0 HGABMO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)n2)cc1 ZINC000019336971 558870374 /nfs/dbraw/zinc/87/03/74/558870374.db2.gz BPWCNQUJHOIATI-QGZVFWFLSA-N 1 1 410.440 3.442 40 0 HGABMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)n2)cc1 ZINC000019336971 558870377 /nfs/dbraw/zinc/87/03/77/558870377.db2.gz BPWCNQUJHOIATI-QGZVFWFLSA-N 1 1 410.440 3.442 40 0 HGABMO c1cncc(-c2nc(NCCC[NH+]3CCOCC3)ncc2-c2ccc3c(c2)OCO3)c1 ZINC000019340164 558871496 /nfs/dbraw/zinc/87/14/96/558871496.db2.gz CJVXFMNOZIZABH-UHFFFAOYSA-N 1 1 419.485 3.069 40 0 HGABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1)N1CCC(O)CC1 ZINC000019376076 558882313 /nfs/dbraw/zinc/88/23/13/558882313.db2.gz ZJSFQQHANDRQFO-SFHVURJKSA-N 1 1 420.513 3.199 40 0 HGABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1)N1CCC(O)CC1 ZINC000019376075 558882360 /nfs/dbraw/zinc/88/23/60/558882360.db2.gz ZJSFQQHANDRQFO-GOSISDBHSA-N 1 1 420.513 3.199 40 0 HGABMO O=c1cc([C@H]2CCC[N@H+](Cc3c[nH]cc4c(Cl)nnc3-4)C2)nc(-c2ccccn2)[nH]1 ZINC000019402782 558884027 /nfs/dbraw/zinc/88/40/27/558884027.db2.gz QUYBINHGNVMINR-ZDUSSCGKSA-N 1 1 421.892 3.136 40 0 HGABMO CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CCC1 ZINC000019461169 558893534 /nfs/dbraw/zinc/89/35/34/558893534.db2.gz KSFKFGLKHSQPAT-SFTDATJTSA-N 1 1 419.573 3.351 40 0 HGABMO CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2OC)CC3)C1 ZINC000019499782 558897795 /nfs/dbraw/zinc/89/77/95/558897795.db2.gz OQATWKUFUVPNCU-SJLPKXTDSA-N 1 1 424.545 3.111 40 0 HGABMO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)no2)cc1 ZINC000019553687 558916799 /nfs/dbraw/zinc/91/67/99/558916799.db2.gz KGDJDXXQODPCAN-SFHVURJKSA-N 1 1 423.517 3.035 40 0 HGABMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 ZINC000072347840 558944979 /nfs/dbraw/zinc/94/49/79/558944979.db2.gz WDTZTVGVLFXGIB-UXLLHSPISA-N 1 1 405.926 3.389 40 0 HGABMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 ZINC000072347840 558944983 /nfs/dbraw/zinc/94/49/83/558944983.db2.gz WDTZTVGVLFXGIB-UXLLHSPISA-N 1 1 405.926 3.389 40 0 HGABMO COc1cc(Br)ccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019594467 558945370 /nfs/dbraw/zinc/94/53/70/558945370.db2.gz YTXAMHJGZBUVLQ-UHFFFAOYSA-N 1 1 418.335 3.214 40 0 HGABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cccc4ncccc24)C3)c(OC)n1 ZINC000019594749 558945564 /nfs/dbraw/zinc/94/55/64/558945564.db2.gz LQEGXAUNZVLOES-QLCVBSLISA-N 1 1 420.513 3.162 40 0 HGABMO Cc1nn(C)cc1C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352452 558948685 /nfs/dbraw/zinc/94/86/85/558948685.db2.gz OKXKARQQTPGSHX-KRWDZBQOSA-N 1 1 424.570 3.405 40 0 HGABMO CC(=O)N1CCCC[C@H]1c1nc2c(c(NCCOc3ccccc3C)n1)CC[N@@H+](C)C2 ZINC000072376590 558965867 /nfs/dbraw/zinc/96/58/67/558965867.db2.gz WHGLZECSNIAWRC-NRFANRHFSA-N 1 1 423.561 3.337 40 0 HGABMO CC(=O)N1CCCC[C@H]1c1nc2c(c(NCCOc3ccccc3C)n1)CC[N@H+](C)C2 ZINC000072376590 558965868 /nfs/dbraw/zinc/96/58/68/558965868.db2.gz WHGLZECSNIAWRC-NRFANRHFSA-N 1 1 423.561 3.337 40 0 HGABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)CCCc1ccccc1)C2 ZINC000019707911 558970125 /nfs/dbraw/zinc/97/01/25/558970125.db2.gz AXIDJEVTPLQJAN-IBGZPJMESA-N 1 1 407.562 3.235 40 0 HGABMO COCCn1c(C)c(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)c2ccccc21 ZINC000072391759 558971571 /nfs/dbraw/zinc/97/15/71/558971571.db2.gz SYDWSGKZPAVGJW-UHFFFAOYSA-N 1 1 406.530 3.339 40 0 HGABMO COCCn1c(C)c(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)c2ccccc21 ZINC000072391759 558971573 /nfs/dbraw/zinc/97/15/73/558971573.db2.gz SYDWSGKZPAVGJW-UHFFFAOYSA-N 1 1 406.530 3.339 40 0 HGABMO Cn1c(CCC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)nc2cc(Cl)ccc21 ZINC000019714199 558974015 /nfs/dbraw/zinc/97/40/15/558974015.db2.gz LPKHFXNVOLGNNH-UHFFFAOYSA-N 1 1 411.937 3.289 40 0 HGABMO Cn1c(CCC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)nc2cc(Cl)ccc21 ZINC000019714199 558974016 /nfs/dbraw/zinc/97/40/16/558974016.db2.gz LPKHFXNVOLGNNH-UHFFFAOYSA-N 1 1 411.937 3.289 40 0 HGABMO COCCOc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000072395325 558974081 /nfs/dbraw/zinc/97/40/81/558974081.db2.gz VNYLCXRKCRLXON-INIZCTEOSA-N 1 1 417.460 3.467 40 0 HGABMO COc1cccc(C[N@H+]2CCCC[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)c1 ZINC000072399180 558976813 /nfs/dbraw/zinc/97/68/13/558976813.db2.gz QVEHVNUQEPTWIV-SIKLNZKXSA-N 1 1 400.544 3.370 40 0 HGABMO Cc1c(-c2cc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)c3ccccc3n2)cnn1C ZINC000019716486 558978528 /nfs/dbraw/zinc/97/85/28/558978528.db2.gz ZGLIAIBOSXAJRB-QHCPKHFHSA-N 1 1 421.545 3.030 40 0 HGABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)[C@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000019717103 558979434 /nfs/dbraw/zinc/97/94/34/558979434.db2.gz WQDALTKGLZMRCI-QFIPXVFZSA-N 1 1 408.477 3.391 40 0 HGABMO Cc1nc2cc(NC(=O)[C@@H]3CCC[N@@H+](CCC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019717590 558980496 /nfs/dbraw/zinc/98/04/96/558980496.db2.gz XHDJGOKZMBUDEI-QGZVFWFLSA-N 1 1 411.550 3.376 40 0 HGABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100467 559024003 /nfs/dbraw/zinc/02/40/03/559024003.db2.gz KZGANLZVVDFTFF-DEOSSOPVSA-N 1 1 424.545 3.069 40 0 HGABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+](C)Cc4cccnc4)C3)CC2)cc1 ZINC000585104168 559025865 /nfs/dbraw/zinc/02/58/65/559025865.db2.gz MDCXQIOADCRQPI-HSZRJFAPSA-N 1 1 423.557 3.299 40 0 HGABMO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@@H+](C)[C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000585104820 559027258 /nfs/dbraw/zinc/02/72/58/559027258.db2.gz TUEMJAXTPIZGDF-YPAWHYETSA-N 1 1 414.590 3.496 40 0 HGABMO Cc1ccc(NC(=O)N2CCC3(C[N@H+](CC(C)C)C[C@]34CCN(C)C4=O)CC2)cc1 ZINC000096144216 559096481 /nfs/dbraw/zinc/09/64/81/559096481.db2.gz JXFYELINCHREOO-DEOSSOPVSA-N 1 1 412.578 3.429 40 0 HGABMO CC[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)c3ccc(OC)cc3)CC[C@@H]12 ZINC000096145313 559097211 /nfs/dbraw/zinc/09/72/11/559097211.db2.gz ITFGLRSPOBQIQM-ZJSXRUAMSA-N 1 1 422.529 3.046 40 0 HGABMO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000096216050 559101832 /nfs/dbraw/zinc/10/18/32/559101832.db2.gz CWOLBMOZRQMHFM-HXUWFJFHSA-N 1 1 407.511 3.107 40 0 HGABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000096216050 559101833 /nfs/dbraw/zinc/10/18/33/559101833.db2.gz CWOLBMOZRQMHFM-HXUWFJFHSA-N 1 1 407.511 3.107 40 0 HGABMO CN(C)c1cccc(C(=O)N2CCC3(C[C@H]([N@@H+](C)Cc4cccnc4)CO3)CC2)c1 ZINC000096220866 559101978 /nfs/dbraw/zinc/10/19/78/559101978.db2.gz DBDLCKHMGHUSDD-QFIPXVFZSA-N 1 1 408.546 3.043 40 0 HGABMO Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(C)CC[N@@H+]3Cc2ccccc2)c1 ZINC000096230323 559102802 /nfs/dbraw/zinc/10/28/02/559102802.db2.gz YFDHDMZRUXNPHT-UHFFFAOYSA-N 1 1 406.530 3.336 40 0 HGABMO Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(C)CC[N@H+]3Cc2ccccc2)c1 ZINC000096230323 559102803 /nfs/dbraw/zinc/10/28/03/559102803.db2.gz YFDHDMZRUXNPHT-UHFFFAOYSA-N 1 1 406.530 3.336 40 0 HGABMO O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096239943 559103505 /nfs/dbraw/zinc/10/35/05/559103505.db2.gz XEUVGCIBELZTMR-UHFFFAOYSA-N 1 1 401.457 3.115 40 0 HGABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2ccc(F)cc2)CC3)C1=O ZINC000096262768 559106706 /nfs/dbraw/zinc/10/67/06/559106706.db2.gz HKNATMNYZVSHRG-DEOSSOPVSA-N 1 1 415.553 3.258 40 0 HGABMO COc1ccc(-c2cnc3n2CC[NH2+]C32CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000096263378 559107084 /nfs/dbraw/zinc/10/70/84/559107084.db2.gz KMWRBQTVPTWLNB-UHFFFAOYSA-N 1 1 402.498 3.293 40 0 HGABMO CC(C)(Cc1ccccc1)NC(=O)C[NH+]1CCC(O)(COc2ccc(F)cc2)CC1 ZINC000585274668 559118776 /nfs/dbraw/zinc/11/87/76/559118776.db2.gz YEYBSXAJHMXACK-UHFFFAOYSA-N 1 1 414.521 3.169 40 0 HGABMO OC1(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CCCCCC1 ZINC000585284657 559121251 /nfs/dbraw/zinc/12/12/51/559121251.db2.gz YZUZBVUHRSKNJG-FQEVSTJZSA-N 1 1 401.906 3.007 40 0 HGABMO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585285132 559121476 /nfs/dbraw/zinc/12/14/76/559121476.db2.gz CPUCJHXXTCCTOI-INWJIATQSA-N 1 1 419.606 3.447 40 0 HGABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCc3cccc(F)c3)CC2)cc1 ZINC000257334547 559283343 /nfs/dbraw/zinc/28/33/43/559283343.db2.gz YGJUHAADGLMPOA-HSZRJFAPSA-N 1 1 400.494 3.046 40 0 HGABMO CC(=O)Nc1ccc2nc(NC(=O)C[NH+]3CCC4(COC(C)(C)C4)CC3)sc2c1 ZINC000257279972 559285235 /nfs/dbraw/zinc/28/52/35/559285235.db2.gz OIYFTLPKUIWJSO-UHFFFAOYSA-N 1 1 416.547 3.474 40 0 HGABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCCc3ccccc3)CC2)c(C)c1 ZINC000257280981 559285343 /nfs/dbraw/zinc/28/53/43/559285343.db2.gz ONEQMSVNZQOZDZ-RUZDIDTESA-N 1 1 410.558 3.258 40 0 HGABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](CCCc2ccccc2)CC[C@@]1(C)O ZINC000514289966 560031040 /nfs/dbraw/zinc/03/10/40/560031040.db2.gz RAZSXZRZMIHGRJ-FDFHNCONSA-N 1 1 402.560 3.010 40 0 biogenic,in-vitro HGABMO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@](C)(C(C)(C)O)C2 ZINC000253503891 560038558 /nfs/dbraw/zinc/03/85/58/560038558.db2.gz AKBVQTSSRCUQMV-VIEWORRFSA-N 1 1 411.542 3.077 40 0 biogenic,in-vitro HGABMO Cc1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000409019553 560667411 /nfs/dbraw/zinc/66/74/11/560667411.db2.gz UDDKKWGWHVVARA-UHFFFAOYSA-N 1 1 405.542 3.192 40 0 HGABMO CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000012481594 560780641 /nfs/dbraw/zinc/78/06/41/560780641.db2.gz AAHHGSGKVBCAHW-HDICACEKSA-N 1 1 407.580 3.309 40 0 HGABMO COC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)ccc1Cl ZINC000223861644 568561221 /nfs/dbraw/zinc/56/12/21/568561221.db2.gz BBULZUDHRFEXID-UHFFFAOYSA-N 1 1 419.890 3.099 40 0 HGABMO COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](C)CC3)o2)c(OC)c1 ZINC000224936258 568604725 /nfs/dbraw/zinc/60/47/25/568604725.db2.gz IACQWAGHRXFJHU-UHFFFAOYSA-N 1 1 407.470 3.413 40 0 HGABMO CCOc1ccc([C@@H]([NH3+])c2nnc(CCNc3cccc(OC)c3)[nH]2)cc1OCC ZINC000095534553 568635804 /nfs/dbraw/zinc/63/58/04/568635804.db2.gz DFBFGFIDTSQIPX-OAQYLSRUSA-N 1 1 411.506 3.313 40 0 HGABMO Cc1cccnc1Nc1cccc(C2CC[NH+](CC(=O)NCc3ccccn3)CC2)n1 ZINC000257212985 568779757 /nfs/dbraw/zinc/77/97/57/568779757.db2.gz CFRNRKSOITVOGM-UHFFFAOYSA-N 1 1 416.529 3.419 40 0 HGABMO Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4cnc(C)cn4)CCO3)c2)n1 ZINC000257242471 568788039 /nfs/dbraw/zinc/78/80/39/568788039.db2.gz ICSDPQDAYBAXRH-HXUWFJFHSA-N 1 1 404.474 3.149 40 0 HGABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCCn2c3ccccc3nc2C(C)C)[C@H]1O ZINC000257246285 568789225 /nfs/dbraw/zinc/78/92/25/568789225.db2.gz ITLCEHJZBSUWRT-SYYKKAFVSA-N 1 1 409.534 3.326 40 0 HGABMO Cc1ccc2nc(COCC(=O)N3CCC[C@H]3c3cccc(-n4ccnc4)n3)[nH]c2c1 ZINC000257312724 568807920 /nfs/dbraw/zinc/80/79/20/568807920.db2.gz UPHAGWMXPZDLGJ-FQEVSTJZSA-N 1 1 416.485 3.332 40 0 HGABMO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000257314199 568808536 /nfs/dbraw/zinc/80/85/36/568808536.db2.gz UVTCQEGJFPKFPU-JOCHJYFZSA-N 1 1 413.905 3.347 40 0 HGABMO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000257314199 568808538 /nfs/dbraw/zinc/80/85/38/568808538.db2.gz UVTCQEGJFPKFPU-JOCHJYFZSA-N 1 1 413.905 3.347 40 0 HGABMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2Br)CC1 ZINC000026781835 568831694 /nfs/dbraw/zinc/83/16/94/568831694.db2.gz MHVPGFOINPXFDO-INIZCTEOSA-N 1 1 421.335 3.020 40 0 HGABMO O[C@@H](COc1ccccc1Br)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000026781841 568831719 /nfs/dbraw/zinc/83/17/19/568831719.db2.gz WRBKLKUKJQMEEB-OAHLLOKOSA-N 1 1 409.299 3.150 40 0 HGABMO O[C@H](COc1ccccc1Br)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000026781843 568831740 /nfs/dbraw/zinc/83/17/40/568831740.db2.gz WRBKLKUKJQMEEB-HNNXBMFYSA-N 1 1 409.299 3.150 40 0 HGABMO CCOC[C@]1([NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218220952 568836569 /nfs/dbraw/zinc/83/65/69/568836569.db2.gz JWRTZKAFAOVYFU-SQNIBIBYSA-N 1 1 410.333 3.123 40 0 HGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306125588 568888349 /nfs/dbraw/zinc/88/83/49/568888349.db2.gz CVBLCHSCFSZWEY-URXFXBBRSA-N 1 1 419.529 3.470 40 0 HGABMO COc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306125859 568888521 /nfs/dbraw/zinc/88/85/21/568888521.db2.gz DDYOKNMRWGNHDQ-NHCUHLMSSA-N 1 1 408.527 3.343 40 0 HGABMO Cc1nn(C)c(C)c1C[N@H+]1CC[C@@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000306127125 568890002 /nfs/dbraw/zinc/89/00/02/568890002.db2.gz FOZIKEHBVLRNFK-XMMPIXPASA-N 1 1 418.545 3.113 40 0 HGABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306132053 568894495 /nfs/dbraw/zinc/89/44/95/568894495.db2.gz KWOZQSAPOSINPM-RTBURBONSA-N 1 1 421.932 3.166 40 0 HGABMO COc1ncccc1C[N@@H+]1C[C@@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306133409 568895394 /nfs/dbraw/zinc/89/53/94/568895394.db2.gz MKKOHVIZIFSATR-RTWAWAEBSA-N 1 1 406.461 3.112 40 0 HGABMO COc1ncccc1C[N@H+]1C[C@@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306133409 568895396 /nfs/dbraw/zinc/89/53/96/568895396.db2.gz MKKOHVIZIFSATR-RTWAWAEBSA-N 1 1 406.461 3.112 40 0 HGABMO O=C1CCCN1c1ncc2c(n1)[C@]1(CC[N@@H+](Cc3cccc4ccccc43)C1)COC2 ZINC000306139337 568901107 /nfs/dbraw/zinc/90/11/07/568901107.db2.gz SUWFXDMRYQBIPM-VWLOTQADSA-N 1 1 414.509 3.431 40 0 HGABMO Cc1cccc(C[N@@H+]2Cc3c(=O)n(C)[n-]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000306139823 568901620 /nfs/dbraw/zinc/90/16/20/568901620.db2.gz UBOPAYCOJBFWHU-UHFFFAOYSA-N 1 1 417.557 3.379 40 0 HGABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2c(C(=O)NC4CCCC4)[nH]nc23)s1 ZINC000306140070 568901917 /nfs/dbraw/zinc/90/19/17/568901917.db2.gz UISBUSUOWGIENG-OAQYLSRUSA-N 1 1 400.548 3.126 40 0 HGABMO CN1CC[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306140318 568902192 /nfs/dbraw/zinc/90/21/92/568902192.db2.gz UPRAXCVRIURPQJ-HXUWFJFHSA-N 1 1 419.529 3.152 40 0 HGABMO 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O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306143051 568904722 /nfs/dbraw/zinc/90/47/22/568904722.db2.gz XRTUHKRTKKHDMO-SJORKVTESA-N 1 1 407.905 3.488 40 0 HGABMO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccs5)CCN4C)nnn3c2)cn1 ZINC000306144096 568905469 /nfs/dbraw/zinc/90/54/69/568905469.db2.gz YVYWPDWJIDXJHB-FQEVSTJZSA-N 1 1 420.542 3.350 40 0 HGABMO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccs5)CCN4C)nnn3c2)cn1 ZINC000306144096 568905472 /nfs/dbraw/zinc/90/54/72/568905472.db2.gz YVYWPDWJIDXJHB-FQEVSTJZSA-N 1 1 420.542 3.350 40 0 HGABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218232672 568928473 /nfs/dbraw/zinc/92/84/73/568928473.db2.gz QTBIGFUQEKULKR-GBESFXJTSA-N 1 1 424.360 3.431 40 0 HGABMO C[C@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000329031721 568973771 /nfs/dbraw/zinc/97/37/71/568973771.db2.gz QKHYFSLWRLGPBK-GFCCVEGCSA-N 1 1 403.324 3.472 40 0 HGABMO C[C@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C2CC2)n1 ZINC000329031721 568973772 /nfs/dbraw/zinc/97/37/72/568973772.db2.gz QKHYFSLWRLGPBK-GFCCVEGCSA-N 1 1 403.324 3.472 40 0 HGABMO O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199158 569059032 /nfs/dbraw/zinc/05/90/32/569059032.db2.gz VBSIUGOTPKTTKF-KTXJPYHWSA-N 1 1 410.514 3.216 40 0 HGABMO CC(=O)NCCn1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c2cccnc21 ZINC000012219504 569344627 /nfs/dbraw/zinc/34/46/27/569344627.db2.gz NJQPHGODBRTJIO-QGZVFWFLSA-N 1 1 413.472 3.225 40 0 HGABMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 ZINC000012184567 569344689 /nfs/dbraw/zinc/34/46/89/569344689.db2.gz WDTZTVGVLFXGIB-HLLBOEOZSA-N 1 1 405.926 3.389 40 0 HGABMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 ZINC000012184567 569344690 /nfs/dbraw/zinc/34/46/90/569344690.db2.gz WDTZTVGVLFXGIB-HLLBOEOZSA-N 1 1 405.926 3.389 40 0 HGABMO Cc1cc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)[nH]c2cc1C ZINC000019125304 569345306 /nfs/dbraw/zinc/34/53/06/569345306.db2.gz UBBCHHRFFWUMLM-OIBXWCBGSA-N 1 1 418.541 3.479 40 0 HGABMO Cc1cc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)[nH]c2cc1C ZINC000019125304 569345307 /nfs/dbraw/zinc/34/53/07/569345307.db2.gz UBBCHHRFFWUMLM-OIBXWCBGSA-N 1 1 418.541 3.479 40 0 HGABMO CCOc1ccc(COC)cc1C[N@H+]1CC[C@@H](c2ncncc2-c2noc(C)n2)C1 ZINC000019693722 569346591 /nfs/dbraw/zinc/34/65/91/569346591.db2.gz RBCMPYQBZXTBLN-QGZVFWFLSA-N 1 1 409.490 3.370 40 0 HGABMO CCc1ncc(C[N@H+]2[C@H](Cc3ccc(OC)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019713894 569348471 /nfs/dbraw/zinc/34/84/71/569348471.db2.gz TYSXZXRXCOZMST-BAGYTPMASA-N 1 1 408.546 3.292 40 0 HGABMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(CN5CC5)CC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000028296278 569350267 /nfs/dbraw/zinc/35/02/67/569350267.db2.gz KDZDNXAVYMXPKT-HTVKZPTGSA-N 1 1 402.623 3.123 40 0 HGABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000034668504 569351544 /nfs/dbraw/zinc/35/15/44/569351544.db2.gz QATULCOWUNVRMI-UHFFFAOYSA-N 1 1 416.525 3.342 40 0 HGABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857108 569352061 /nfs/dbraw/zinc/35/20/61/569352061.db2.gz BXLUAGFQRDOCEO-APWZRJJASA-N 1 1 418.534 3.319 40 0 HGABMO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H]([NH+](Cc2cccs2)Cc2cccs2)[C@@H]1O ZINC000077263760 291232560 /nfs/dbraw/zinc/23/25/60/291232560.db2.gz ROUHLVXVVUKOIE-GGPKGHCWSA-N 1 1 422.616 3.493 40 0 biogenic,in-vitro HGABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)CC(C)(C)C)CC2)cs1 ZINC000225466770 291237430 /nfs/dbraw/zinc/23/74/30/291237430.db2.gz BGFFBLKHEHGLAB-MRXNPFEDSA-N 1 1 409.596 3.000 40 0 biogenic,in-vitro HGABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)CC(C)(C)C)CC2)cs1 ZINC000225466770 291237433 /nfs/dbraw/zinc/23/74/33/291237433.db2.gz BGFFBLKHEHGLAB-MRXNPFEDSA-N 1 1 409.596 3.000 40 0 biogenic,in-vitro HGABMO O=C1CO[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000067897314 291245005 /nfs/dbraw/zinc/24/50/05/291245005.db2.gz UYTJGONLDYGKFG-MOPGFXCFSA-N 1 1 406.404 3.197 40 0 biogenic,in-vitro HGABMO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)COCC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cc1 ZINC000025562825 132486755 /nfs/dbraw/zinc/48/67/55/132486755.db2.gz LQYFQQZOGBCADR-QTJGBDASSA-N 1 1 412.574 3.381 40 0 HGABMO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000035313656 557689384 /nfs/dbraw/zinc/68/93/84/557689384.db2.gz KBGUYTKESWMCLC-OKZBNKHCSA-N 1 1 407.580 3.309 40 0 HGABMO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000035313656 557689389 /nfs/dbraw/zinc/68/93/89/557689389.db2.gz KBGUYTKESWMCLC-OKZBNKHCSA-N 1 1 407.580 3.309 40 0 HGABMO COc1ccc(CC(=O)N2CCC[C@H]2c2c(C[NH+](C)C)cnc3cc(C)nn32)cc1 ZINC000019743538 558264300 /nfs/dbraw/zinc/26/43/00/558264300.db2.gz GSONCIAWGCBJRV-FQEVSTJZSA-N 1 1 407.518 3.014 40 0 HGABMO C[C@H]1CCC[N@H+](CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC000019746070 558266084 /nfs/dbraw/zinc/26/60/84/558266084.db2.gz NTFBCWCTUGURSP-AWEZNQCLSA-N 1 1 423.439 3.211 40 0 HGABMO C[C@H]1CCC[N@@H+](CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC000019746070 558266085 /nfs/dbraw/zinc/26/60/85/558266085.db2.gz NTFBCWCTUGURSP-AWEZNQCLSA-N 1 1 423.439 3.211 40 0 HGABMO CCCCNC(=O)C[N@@H+]1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000012121264 558330509 /nfs/dbraw/zinc/33/05/09/558330509.db2.gz BNRCWAUNSXRLFQ-QGZVFWFLSA-N 1 1 410.522 3.097 40 0 HGABMO CCCCNC(=O)C[N@H+]1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000012121264 558330511 /nfs/dbraw/zinc/33/05/11/558330511.db2.gz BNRCWAUNSXRLFQ-QGZVFWFLSA-N 1 1 410.522 3.097 40 0 HGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000020460734 558372868 /nfs/dbraw/zinc/37/28/68/558372868.db2.gz NDUVQOXDRNPWJT-OAHLLOKOSA-N 1 1 401.960 3.096 40 0 HGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000022509915 558492691 /nfs/dbraw/zinc/49/26/91/558492691.db2.gz GGMAKOQFAOSSIB-UHFFFAOYSA-N 1 1 418.906 3.136 40 0 HGABMO C[C@@H]1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 ZINC000036507692 558799923 /nfs/dbraw/zinc/79/99/23/558799923.db2.gz MQSZZIBOTGMDJA-ZGWDCZMSSA-N 1 1 412.530 3.352 40 0 HGABMO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[N@@H+]3CCC[C@@H](C)C3)CC1)N2 ZINC000019128710 558845010 /nfs/dbraw/zinc/84/50/10/558845010.db2.gz SCTCSRYJWGZAEK-FHLIZLRMSA-N 1 1 409.525 3.152 40 0 HGABMO Cc1cccc(C[N@@H+]2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019235080 558854167 /nfs/dbraw/zinc/85/41/67/558854167.db2.gz WYQAUGZZCKQUCI-NHCUHLMSSA-N 1 1 407.562 3.125 40 0 HGABMO O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019337648 558870517 /nfs/dbraw/zinc/87/05/17/558870517.db2.gz NJWOHLZSGDYNHW-OAQYLSRUSA-N 1 1 421.545 3.223 40 0 HGABMO Fc1ccc(-n2cc(CN(CCC[NH+]3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000019338630 558870851 /nfs/dbraw/zinc/87/08/51/558870851.db2.gz GNDZQIXCBVHFMP-UHFFFAOYSA-N 1 1 409.509 3.131 40 0 HGABMO O=c1ccc(-c2cccs2)nn1CC1(O)C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC000019338766 558870907 /nfs/dbraw/zinc/87/09/07/558870907.db2.gz FNEZUJADYXQCOS-LIMIJEPZSA-N 1 1 422.554 3.315 40 0 HGABMO O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019400041 558882634 /nfs/dbraw/zinc/88/26/34/558882634.db2.gz UQOZCSYKHDNDFO-OAQYLSRUSA-N 1 1 421.545 3.493 40 0 HGABMO CC(C)[N@@H+]1CCc2c(=O)[nH]c(C3CCN(Cc4cccc(F)c4F)CC3)nc2C1 ZINC000019448516 558887334 /nfs/dbraw/zinc/88/73/34/558887334.db2.gz XDVRKYNTFMCCDB-UHFFFAOYSA-N 1 1 402.489 3.194 40 0 HGABMO CC(C)[N@H+]1CCc2c(=O)[nH]c(C3CCN(Cc4cccc(F)c4F)CC3)nc2C1 ZINC000019448516 558887338 /nfs/dbraw/zinc/88/73/38/558887338.db2.gz XDVRKYNTFMCCDB-UHFFFAOYSA-N 1 1 402.489 3.194 40 0 HGABMO CC(C)OCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000019450450 558888900 /nfs/dbraw/zinc/88/89/00/558888900.db2.gz CGIQLYUXPWLRNA-UHFFFAOYSA-N 1 1 404.514 3.480 40 0 HGABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C 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QPHLRAAPJRAYCT-UHFFFAOYSA-N 1 1 405.546 3.219 40 0 HGABMO COc1cc(C[N@H+]2CCCC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)cc(OC)c1OC ZINC000072330634 558935041 /nfs/dbraw/zinc/93/50/41/558935041.db2.gz ISEGNLLAELZSDT-RBUKOAKNSA-N 1 1 402.535 3.325 40 0 HGABMO C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccc(Cl)cc1 ZINC000019664593 558955032 /nfs/dbraw/zinc/95/50/32/558955032.db2.gz IZTUQOTURTVGAA-LJQANCHMSA-N 1 1 421.950 3.294 40 0 HGABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3cccc(C)c3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370152 558956353 /nfs/dbraw/zinc/95/63/53/558956353.db2.gz DJFPTVFICHQILE-GOSISDBHSA-N 1 1 411.550 3.193 40 0 HGABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3ccc(C)cc3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370148 558956376 /nfs/dbraw/zinc/95/63/76/558956376.db2.gz OOQPRKRKEVORNU-GOSISDBHSA-N 1 1 411.550 3.193 40 0 HGABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)nc(NC[C@H]4CCCO4)c23)cc1CO ZINC000072373160 558961057 /nfs/dbraw/zinc/96/10/57/558961057.db2.gz JFZBOIGZVMQSDI-QKNQBKEWSA-N 1 1 424.545 3.139 40 0 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VVMHIXSLESMFOP-GFCCVEGCSA-N 1 1 412.460 3.065 40 0 HGABMO CC(C)Nc1[nH]nc2nc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)cc(C(F)(F)F)c21 ZINC000019695772 558964086 /nfs/dbraw/zinc/96/40/86/558964086.db2.gz VVMHIXSLESMFOP-GFCCVEGCSA-N 1 1 412.460 3.065 40 0 HGABMO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[N@H+](CC(=O)N(C)C)C3)cc(C(F)(F)F)c12 ZINC000019695772 558964088 /nfs/dbraw/zinc/96/40/88/558964088.db2.gz VVMHIXSLESMFOP-GFCCVEGCSA-N 1 1 412.460 3.065 40 0 HGABMO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)cc(C(F)(F)F)c12 ZINC000019695772 558964090 /nfs/dbraw/zinc/96/40/90/558964090.db2.gz VVMHIXSLESMFOP-GFCCVEGCSA-N 1 1 412.460 3.065 40 0 HGABMO CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)C[N@H+](Cc2ccccn2)CCO1 ZINC000072389034 558969359 /nfs/dbraw/zinc/96/93/59/558969359.db2.gz YAJPKXURTRRBCO-VWLOTQADSA-N 1 1 401.510 3.308 40 0 HGABMO CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)C[N@@H+](Cc2ccccn2)CCO1 ZINC000072389034 558969361 /nfs/dbraw/zinc/96/93/61/558969361.db2.gz YAJPKXURTRRBCO-VWLOTQADSA-N 1 1 401.510 3.308 40 0 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ZINC000019291402 558863866 /nfs/dbraw/zinc/86/38/66/558863866.db2.gz PATIITISNHWANJ-LIMIJEPZSA-N 1 1 405.502 3.122 40 0 HGABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)no1)N1CCC(O)CC1 ZINC000019333997 558869165 /nfs/dbraw/zinc/86/91/65/558869165.db2.gz LHDGJYRKCQPKCF-MRXNPFEDSA-N 1 1 403.910 3.305 40 0 HGABMO O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019337520 558870348 /nfs/dbraw/zinc/87/03/48/558870348.db2.gz KNSJETDJLREJPW-NRFANRHFSA-N 1 1 421.545 3.493 40 0 HGABMO O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019337551 558870588 /nfs/dbraw/zinc/87/05/88/558870588.db2.gz YCKXGBNOGUBPFC-OAQYLSRUSA-N 1 1 421.545 3.081 40 0 HGABMO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+](C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019342752 558872170 /nfs/dbraw/zinc/87/21/70/558872170.db2.gz IOXNYFAVOAODFD-OAHLLOKOSA-N 1 1 412.559 3.152 40 0 HGABMO O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343561 558872469 /nfs/dbraw/zinc/87/24/69/558872469.db2.gz JILCOQIQHRYDQX-LJQANCHMSA-N 1 1 412.559 3.243 40 0 HGABMO O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000019346472 558873517 /nfs/dbraw/zinc/87/35/17/558873517.db2.gz WRYINLGXUFHQDA-UHFFFAOYSA-N 1 1 408.889 3.028 40 0 HGABMO O=C(C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1)NC1CC1 ZINC000019368935 558877728 /nfs/dbraw/zinc/87/77/28/558877728.db2.gz DZQHRDGQUVMVBB-DNVJHFABSA-N 1 1 421.516 3.034 40 0 HGABMO O=C(NCc1cccnc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372581 558879779 /nfs/dbraw/zinc/87/97/79/558879779.db2.gz UFSGFKZEJQWCPT-DHIUTWEWSA-N 1 1 417.484 3.468 40 0 HGABMO O=C(NCc1ccncc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372584 558879862 /nfs/dbraw/zinc/87/98/62/558879862.db2.gz GBHQMGOSHAUMHN-DHIUTWEWSA-N 1 1 417.484 3.468 40 0 HGABMO O=C(NC[C@H]1CCCO1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372545 558879925 /nfs/dbraw/zinc/87/99/25/558879925.db2.gz PLUMZEBNFWECHX-YPAWHYETSA-N 1 1 410.489 3.052 40 0 HGABMO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cc1OC(C)C ZINC000019450505 558888858 /nfs/dbraw/zinc/88/88/58/558888858.db2.gz OEGHEXDDQQJRLT-XPWALMASSA-N 1 1 410.558 3.345 40 0 HGABMO C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459045 558892861 /nfs/dbraw/zinc/89/28/61/558892861.db2.gz YYJCLXCWYJGYRM-PKOBYXMFSA-N 1 1 420.557 3.190 40 0 HGABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)c4cccnc4)[nH]c(=O)c3C2)CC1 ZINC000019496006 558894972 /nfs/dbraw/zinc/89/49/72/558894972.db2.gz CQPKXFWQMMWHKO-QYGXFBIXSA-N 1 1 421.545 3.491 40 0 HGABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C ZINC000019500315 558898511 /nfs/dbraw/zinc/89/85/11/558898511.db2.gz LQUUGRQEBAXURO-LJQANCHMSA-N 1 1 414.619 3.420 40 0 HGABMO CCc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)cc1C ZINC000019521484 558902818 /nfs/dbraw/zinc/90/28/18/558902818.db2.gz UPWLSWAYFVKFBR-UHFFFAOYSA-N 1 1 407.518 3.371 40 0 HGABMO CCOc1cc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OCC(N)=O ZINC000019532207 558912393 /nfs/dbraw/zinc/91/23/93/558912393.db2.gz FPAXNDWDPRRYCZ-SFHVURJKSA-N 1 1 408.502 3.205 40 0 HGABMO CCOc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019532939 558912837 /nfs/dbraw/zinc/91/28/37/558912837.db2.gz RVDLXTIURWTWEA-NRFANRHFSA-N 1 1 424.545 3.254 40 0 HGABMO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)no2)c1 ZINC000019565638 558925487 /nfs/dbraw/zinc/92/54/87/558925487.db2.gz ADFZAJZXSAQZON-SFHVURJKSA-N 1 1 406.486 3.388 40 0 HGABMO Cc1c2ccccc2oc1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019566124 558925880 /nfs/dbraw/zinc/92/58/80/558925880.db2.gz WCSXLYQSEGSFDW-HNNXBMFYSA-N 1 1 406.486 3.245 40 0 HGABMO C[NH+]1CCN(c2cc(C(=O)Nc3ccccc3OCc3ccccn3)ccn2)CC1 ZINC000019662563 558953452 /nfs/dbraw/zinc/95/34/52/558953452.db2.gz OWIOFCGOHRJBQY-UHFFFAOYSA-N 1 1 403.486 3.060 40 0 HGABMO Nc1ncc(-c2ccc([C@H]3CCC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)cn1 ZINC000019688571 558958158 /nfs/dbraw/zinc/95/81/58/558958158.db2.gz QVIKXGAKWSUYIN-INIZCTEOSA-N 1 1 406.465 3.078 40 0 HGABMO Nc1ncc(-c2ccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)cn1 ZINC000019688571 558958161 /nfs/dbraw/zinc/95/81/61/558958161.db2.gz QVIKXGAKWSUYIN-INIZCTEOSA-N 1 1 406.465 3.078 40 0 HGABMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000019689026 558958590 /nfs/dbraw/zinc/95/85/90/558958590.db2.gz FVAIBMIJUBDRHZ-GOSISDBHSA-N 1 1 420.557 3.428 40 0 HGABMO Cc1ccn(CCNC(=O)C2(Cc3cccc([C@@H]4CCC[N@H+](C)C4)c3)CCOCC2)n1 ZINC000072372223 558959540 /nfs/dbraw/zinc/95/95/40/558959540.db2.gz HGWRZAKODFSUQD-HSZRJFAPSA-N 1 1 424.589 3.156 40 0 HGABMO Cc1cccnc1Nc1ccc(C2CC[NH+](CC(=O)NCc3ccccn3)CC2)nc1 ZINC000072374231 558961678 /nfs/dbraw/zinc/96/16/78/558961678.db2.gz YXLPYXHHZNXVGA-UHFFFAOYSA-N 1 1 416.529 3.419 40 0 HGABMO CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)s1 ZINC000019705896 558968354 /nfs/dbraw/zinc/96/83/54/558968354.db2.gz IIDQZJYVLNMLHS-QGZVFWFLSA-N 1 1 401.580 3.466 40 0 HGABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000019707317 558969601 /nfs/dbraw/zinc/96/96/01/558969601.db2.gz WMTLHEIKFORTGN-JOCHJYFZSA-N 1 1 416.529 3.308 40 0 HGABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000019707317 558969605 /nfs/dbraw/zinc/96/96/05/558969605.db2.gz WMTLHEIKFORTGN-JOCHJYFZSA-N 1 1 416.529 3.308 40 0 HGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(F)c(F)c4)C[C@H]32)c(OCC)n1 ZINC000072392648 558972336 /nfs/dbraw/zinc/97/23/36/558972336.db2.gz XCEPVPSBQKYNIW-LBUQITIBSA-N 1 1 419.472 3.282 40 0 HGABMO CCSc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 ZINC000072393033 558972705 /nfs/dbraw/zinc/97/27/05/558972705.db2.gz HXJPYOPQHOJTMW-QGZVFWFLSA-N 1 1 408.531 3.114 40 0 HGABMO Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@@H]4CC[N@H+](C)C[C@H]4C)cc3)nc2n1 ZINC000257207089 558988890 /nfs/dbraw/zinc/98/88/90/558988890.db2.gz BGGZICMIEFPWTK-OXQOHEQNSA-N 1 1 420.561 3.443 40 0 HGABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3CCC[C@H](C)C3)nc2C1 ZINC000257309208 559011517 /nfs/dbraw/zinc/01/15/17/559011517.db2.gz TZYYXZFSOYCCLX-DLBZAZTESA-N 1 1 424.545 3.384 40 0 HGABMO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)s1 ZINC000585104908 559027456 /nfs/dbraw/zinc/02/74/56/559027456.db2.gz WUWSMLXERDFQDL-FHWLQOOXSA-N 1 1 421.607 3.007 40 0 HGABMO C[NH+]1CCN(CC(=O)N2CC3(CCOCC3)c3cc(-c4cccc(F)c4)ccc32)CC1 ZINC000585105889 559028179 /nfs/dbraw/zinc/02/81/79/559028179.db2.gz WQNYHGSJJVFYTD-UHFFFAOYSA-N 1 1 423.532 3.135 40 0 HGABMO COc1cccc(C[N@@H+]2C[C@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@@H]32)c1 ZINC000585107996 559029723 /nfs/dbraw/zinc/02/97/23/559029723.db2.gz SMAUHBPXDGGIEU-UNMCSNQZSA-N 1 1 400.544 3.040 40 0 HGABMO COc1cccc(C[N@H+]2C[C@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@@H]32)c1 ZINC000585107996 559029725 /nfs/dbraw/zinc/02/97/25/559029725.db2.gz SMAUHBPXDGGIEU-UNMCSNQZSA-N 1 1 400.544 3.040 40 0 HGABMO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](C[N@H+]3C[C@@H](C)c3ccccc3)C2)c1 ZINC000585107935 559029773 /nfs/dbraw/zinc/02/97/73/559029773.db2.gz GQDSFXBAETZEBS-ZWCUEREDSA-N 1 1 400.544 3.194 40 0 HGABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(C(=O)Cc1cccc(F)c1F)CCC2 ZINC000585108049 559029824 /nfs/dbraw/zinc/02/98/24/559029824.db2.gz JKOOZODNSNGDDR-JTSKRJEESA-N 1 1 408.489 3.019 40 0 HGABMO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000096216047 559101854 /nfs/dbraw/zinc/10/18/54/559101854.db2.gz CWOLBMOZRQMHFM-FQEVSTJZSA-N 1 1 407.511 3.107 40 0 HGABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000096216047 559101855 /nfs/dbraw/zinc/10/18/55/559101855.db2.gz CWOLBMOZRQMHFM-FQEVSTJZSA-N 1 1 407.511 3.107 40 0 HGABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096262564 559106475 /nfs/dbraw/zinc/10/64/75/559106475.db2.gz JRRCWJFJTZFSIK-HSZRJFAPSA-N 1 1 417.981 3.383 40 0 HGABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096262740 559106684 /nfs/dbraw/zinc/10/66/84/559106684.db2.gz XQEVQDVORQRQKS-HSZRJFAPSA-N 1 1 419.516 3.007 40 0 HGABMO COC(=O)C1(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CCCCC1 ZINC000098063891 559126338 /nfs/dbraw/zinc/12/63/38/559126338.db2.gz AXQFVZANACODJQ-DOIPELPJSA-N 1 1 415.578 3.467 40 0 HGABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000257328652 559283211 /nfs/dbraw/zinc/28/32/11/559283211.db2.gz XGOPGAGAHXOODP-XMMPIXPASA-N 1 1 407.514 3.368 40 0 HGABMO C[N@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)COC1CCCCC1 ZINC000257244359 559284182 /nfs/dbraw/zinc/28/41/82/559284182.db2.gz IKYWNUVXKMUZPM-NRFANRHFSA-N 1 1 418.578 3.220 40 0 HGABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](C4CCOCC4)C[C@H]2N(C)C3=O)c1 ZINC000514288848 560033726 /nfs/dbraw/zinc/03/37/26/560033726.db2.gz CKIHQRRSMIZEDF-GGAORHGYSA-N 1 1 408.498 3.058 40 0 biogenic,in-vitro HGABMO COc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C)ccc43)CC2)c(OC)c1 ZINC000004895395 560611075 /nfs/dbraw/zinc/61/10/75/560611075.db2.gz GIYXFQLCYGRWMQ-UHFFFAOYSA-N 1 1 409.490 3.033 40 0 HGABMO C=C1[NH+]=C(SCC(=O)OCC)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408992259 560662382 /nfs/dbraw/zinc/66/23/82/560662382.db2.gz SOIJTIZEURYFHC-GOSISDBHSA-N 1 1 406.504 3.219 40 0 HGABMO O=C(CCN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000409414328 560723339 /nfs/dbraw/zinc/72/33/39/560723339.db2.gz KMWOXVJLEQBKSZ-BEZYRKKYSA-N 1 1 419.569 3.454 40 0 HGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000010544214 560770410 /nfs/dbraw/zinc/77/04/10/560770410.db2.gz VVYDIVOSYNQNDI-CQSZACIVSA-N 1 1 419.385 3.391 40 0 HGABMO COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020139493 560881129 /nfs/dbraw/zinc/88/11/29/560881129.db2.gz XSUBQEXAMLPNPA-QFIPXVFZSA-N 1 1 420.561 3.344 40 0 HGABMO CC[NH+]1CCN(C(=O)/C(=C\c2c[nH]c3ccccc23)NC(=O)c2ccccc2)CC1 ZINC000211524717 568454818 /nfs/dbraw/zinc/45/48/18/568454818.db2.gz DVAUHDNOCSENHE-CJLVFECKSA-N 1 1 402.498 3.103 40 0 HGABMO COc1ccc(F)cc1S(=O)(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000223024688 568534652 /nfs/dbraw/zinc/53/46/52/568534652.db2.gz QWIDWWAAYXSNPT-UHFFFAOYSA-N 1 1 409.870 3.426 40 0 HGABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000225561699 568651450 /nfs/dbraw/zinc/65/14/50/568651450.db2.gz NGECCKSCYLLUFS-UHFFFAOYSA-N 1 1 424.541 3.475 40 0 HGABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@]12CCCO2 ZINC000257199994 568776167 /nfs/dbraw/zinc/77/61/67/568776167.db2.gz ABOHWWWRQNUZOM-CTNGQTDRSA-N 1 1 401.532 3.327 40 0 HGABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@]12CCCO2 ZINC000257199994 568776168 /nfs/dbraw/zinc/77/61/68/568776168.db2.gz ABOHWWWRQNUZOM-CTNGQTDRSA-N 1 1 401.532 3.327 40 0 HGABMO CCc1ncc(C[N@H+]2CCC[C@H](Cc3cc(Nc4cc(C)[nH]n4)nc(C)n3)C2)cn1 ZINC000257233427 568785717 /nfs/dbraw/zinc/78/57/17/568785717.db2.gz GPFFRJXSLFSBDQ-QGZVFWFLSA-N 1 1 406.538 3.367 40 0 HGABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1=O ZINC000257255897 568791842 /nfs/dbraw/zinc/79/18/42/568791842.db2.gz KJIVDQFCKQLZJH-YLYPHGCXSA-N 1 1 409.574 3.084 40 0 HGABMO Cc1ccc(NC(=O)CN2CC[C@@]3(CCC[N@H+]3CCc3ccccc3)[C@@H](O)C2)cc1 ZINC000257263669 568793915 /nfs/dbraw/zinc/79/39/15/568793915.db2.gz LQYKIWGCTNRNNH-ZCYQVOJMSA-N 1 1 407.558 3.077 40 0 HGABMO Cc1nn(C)cc1NC(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257298579 568804033 /nfs/dbraw/zinc/80/40/33/568804033.db2.gz RMIWYFLHZWYWCR-UHFFFAOYSA-N 1 1 405.506 3.080 40 0 HGABMO CCn1c(CCCC(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3C)[C@@H]2O)nc2ccccc21 ZINC000257332404 568813821 /nfs/dbraw/zinc/81/38/21/568813821.db2.gz XXEUEJPBQDXCRV-TXTKFYIRSA-N 1 1 409.534 3.107 40 0 HGABMO CCn1cc(C[NH+]2CCC3(CC2)c2ccccc2N(CC(C)C)S3(=O)=O)cn1 ZINC000306124136 568886975 /nfs/dbraw/zinc/88/69/75/568886975.db2.gz BHCUMPRBQHRACH-UHFFFAOYSA-N 1 1 402.564 3.200 40 0 HGABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccccc3F)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125427 568888090 /nfs/dbraw/zinc/88/80/90/568888090.db2.gz CQOCNVNBAKUORS-XXBNENTESA-N 1 1 414.525 3.068 40 0 HGABMO C[N@H+]1CC[C@H](COCc2ccncc2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306126572 568889425 /nfs/dbraw/zinc/88/94/25/568889425.db2.gz DZEXMLFFIWTKHI-IBGZPJMESA-N 1 1 404.514 3.316 40 0 HGABMO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5ccncc5)CC4)nccn23)c1 ZINC000306128919 568891613 /nfs/dbraw/zinc/89/16/13/568891613.db2.gz HOIDXQNXFTZYSJ-UHFFFAOYSA-N 1 1 400.486 3.122 40 0 HGABMO CC(C)N1C[C@@]2(CC[N@H+](Cc3ccccc3F)C2)Oc2ccccc2S1(=O)=O ZINC000306134338 568896228 /nfs/dbraw/zinc/89/62/28/568896228.db2.gz NJLSFKYGYCHUHM-NRFANRHFSA-N 1 1 404.507 3.262 40 0 HGABMO CC(C)N1C[C@@]2(CC[N@@H+](Cc3ccccc3F)C2)Oc2ccccc2S1(=O)=O ZINC000306134338 568896230 /nfs/dbraw/zinc/89/62/30/568896230.db2.gz NJLSFKYGYCHUHM-NRFANRHFSA-N 1 1 404.507 3.262 40 0 HGABMO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@@H+](Cc3cc(C)cc(C)c3)C2)cc1 ZINC000306134401 568896276 /nfs/dbraw/zinc/89/62/76/568896276.db2.gz NMCNPGIGXIISCO-RUZDIDTESA-N 1 1 416.525 3.478 40 0 HGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cnn(C(C)C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136923 568898666 /nfs/dbraw/zinc/89/86/66/568898666.db2.gz QGVMCKNBZDVLLY-QPPBQGQZSA-N 1 1 424.593 3.470 40 0 HGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cnn(C(C)C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136926 568898768 /nfs/dbraw/zinc/89/87/68/568898768.db2.gz QGVMCKNBZDVLLY-ZJSXRUAMSA-N 1 1 424.593 3.470 40 0 HGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccc1 ZINC000306140283 568902184 /nfs/dbraw/zinc/90/21/84/568902184.db2.gz UOWICAOSLDFADU-NHCUHLMSSA-N 1 1 401.466 3.298 40 0 HGABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccc(C)s4)C[C@H]2C3)cc1 ZINC000306142680 568904218 /nfs/dbraw/zinc/90/42/18/568904218.db2.gz XGGQXCZGKZNZGJ-HZPDHXFCSA-N 1 1 423.542 3.213 40 0 HGABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306143185 568904651 /nfs/dbraw/zinc/90/46/51/568904651.db2.gz XVHSNHPSXLPTOW-OALUTQOASA-N 1 1 421.932 3.166 40 0 HGABMO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306144280 568905664 /nfs/dbraw/zinc/90/56/64/568905664.db2.gz ZBBMJHOKKDIWCX-DEOSSOPVSA-N 1 1 419.481 3.462 40 0 HGABMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc(Br)c1O ZINC000002737395 568931804 /nfs/dbraw/zinc/93/18/04/568931804.db2.gz DJRHLOQXZQKVIX-OAHLLOKOSA-N 1 1 424.320 3.067 40 0 HGABMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc(Br)c1O ZINC000002737395 568931805 /nfs/dbraw/zinc/93/18/05/568931805.db2.gz DJRHLOQXZQKVIX-OAHLLOKOSA-N 1 1 424.320 3.067 40 0 HGABMO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)[nH+]c(C3CC3)n1)CC2 ZINC000328998646 568972035 /nfs/dbraw/zinc/97/20/35/568972035.db2.gz JTYKLRHTQKIOHD-SFHVURJKSA-N 1 1 412.534 3.363 40 0 HGABMO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)nc(C3CC3)[nH+]1)CC2 ZINC000328998646 568972037 /nfs/dbraw/zinc/97/20/37/568972037.db2.gz JTYKLRHTQKIOHD-SFHVURJKSA-N 1 1 412.534 3.363 40 0 HGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3ncccc3C)C1)O2 ZINC000012135356 569344608 /nfs/dbraw/zinc/34/46/08/569344608.db2.gz MPNYCVGVKOFFCV-NTKDMRAZSA-N 1 1 409.530 3.420 40 0 HGABMO Cc1c2ccccc2oc1C[N@H+]1Cc2cn(C)nc2[C@H](C(=O)NCc2ccccn2)C1 ZINC000019701376 569347378 /nfs/dbraw/zinc/34/73/78/569347378.db2.gz DQNFLLJACCVLTJ-HXUWFJFHSA-N 1 1 415.497 3.286 40 0 HGABMO Cc1c2ccccc2oc1C[N@@H+]1Cc2cn(C)nc2[C@H](C(=O)NCc2ccccn2)C1 ZINC000019701376 569347379 /nfs/dbraw/zinc/34/73/79/569347379.db2.gz DQNFLLJACCVLTJ-HXUWFJFHSA-N 1 1 415.497 3.286 40 0 HGABMO CN(C)c1ncc(C[N@H+]2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704614 569347604 /nfs/dbraw/zinc/34/76/04/569347604.db2.gz NOJWIJSYUAWGSY-INIZCTEOSA-N 1 1 412.925 3.488 40 0 HGABMO CN(C)c1ncc(C[N@@H+]2CC[C@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704614 569347605 /nfs/dbraw/zinc/34/76/05/569347605.db2.gz NOJWIJSYUAWGSY-INIZCTEOSA-N 1 1 412.925 3.488 40 0 HGABMO CN(C)c1ncc(C[N@H+]2CC[C@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704614 569347606 /nfs/dbraw/zinc/34/76/06/569347606.db2.gz NOJWIJSYUAWGSY-INIZCTEOSA-N 1 1 412.925 3.488 40 0 HGABMO O=C([C@H]1CO[C@@H]2C=CC=C[C@@H]2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019897273 569433309 /nfs/dbraw/zinc/43/33/09/569433309.db2.gz IDWULGNULPQONK-TZRRMPRUSA-N 1 1 416.521 3.199 40 0 HGABMO