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RWMKRNQXXWIAIG-SFQUDFHCSA-N -1 0 408.410 3.138 40 0 HGABRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)C2=O)cc1C ZINC000033851666 569351469 /nfs/dbraw/zinc/35/14/69/569351469.db2.gz XDHNZDRBJYAPKD-VCHYOVAHSA-N -1 0 416.437 3.250 40 0 HGABRM CCOc1c(Br)cc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C)cc1OC ZINC000062714722 569388282 /nfs/dbraw/zinc/38/82/82/569388282.db2.gz PMRPIUMGCNFZBM-LFAOLKIESA-N -1 0 400.269 3.095 40 0 HGABRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000070691804 569413470 /nfs/dbraw/zinc/41/34/70/569413470.db2.gz BHQCQFFYRZLCQQ-WXWLYLEXSA-N -1 0 408.579 3.449 40 0 biogenic HGABRM O=C([O-])COc1cc(F)ccc1C(=O)NCc1ccc(Br)cc1F ZINC000142124154 571168241 /nfs/dbraw/zinc/16/82/41/571168241.db2.gz JMXDFFYEGLOZLN-UHFFFAOYSA-N -1 0 400.175 3.121 40 0 HGABRM Cc1cc(Nc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)ccc1Br ZINC000328970695 571307655 /nfs/dbraw/zinc/30/76/55/571307655.db2.gz DLDRIFFLAKBNTF-UHFFFAOYSA-N -1 0 414.263 3.850 40 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ZINC000408562653 557461722 /nfs/dbraw/zinc/46/17/22/557461722.db2.gz RFGVJCSYXFIVSM-UHFFFAOYSA-N -1 0 405.454 3.498 40 0 HGABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c(OC)c1 ZINC000408591941 557504562 /nfs/dbraw/zinc/50/45/62/557504562.db2.gz MJHMJLYPSDYOED-UHFFFAOYSA-N -1 0 405.476 3.132 40 0 HGABRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408611242 557529177 /nfs/dbraw/zinc/52/91/77/557529177.db2.gz WHAHTBYJMUAYJO-MRXNPFEDSA-N -1 0 420.531 3.426 40 0 HGABRM C[C@@H](NC(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000005920463 557680865 /nfs/dbraw/zinc/68/08/65/557680865.db2.gz JYEBKNONUNVENG-QRWLVFNGSA-N -1 0 405.454 3.162 40 0 HGABRM CCOC(=O)c1ccc(NC(=O)Cc2sc3nc(-c4ccccc4)nn3c2[O-])cc1 ZINC000015057259 558704500 /nfs/dbraw/zinc/70/45/00/558704500.db2.gz FOWAEPCCGIBGMM-MRXNPFEDSA-N -1 0 422.466 3.265 40 0 HGABRM CCOC(=O)c1ccc(NC(=O)Cc2sc3nc(-c4ccccc4)nn3c2[O-])cc1 ZINC000015057255 558704575 /nfs/dbraw/zinc/70/45/75/558704575.db2.gz FOWAEPCCGIBGMM-INIZCTEOSA-N -1 0 422.466 3.265 40 0 HGABRM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(OC)cc1Cl ZINC000015245931 558729751 /nfs/dbraw/zinc/72/97/51/558729751.db2.gz POCVGBOENGHNGK-UHFFFAOYSA-N -1 0 424.906 3.457 40 0 HGABRM Cc1ccc(-n2nnnc2-c2cnc(NCC(=O)[O-])nc2-c2cccc(Cl)c2)cc1 ZINC000016311592 558785510 /nfs/dbraw/zinc/78/55/10/558785510.db2.gz VWVUDQLYVQQLPO-UHFFFAOYSA-N -1 0 421.848 3.245 40 0 HGABRM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000000955938 558835847 /nfs/dbraw/zinc/83/58/47/558835847.db2.gz QAKSOIOWTMETSI-LFYBBSHMSA-N -1 0 413.455 3.444 40 0 HGABRM O=C([O-])CCC(=O)N[C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2ccccc2)[C@@H]1O ZINC000585262426 559111033 /nfs/dbraw/zinc/11/10/33/559111033.db2.gz BDZSFIHTNJKXOJ-RADWXHQJSA-N -1 0 417.433 3.260 40 0 HGABRM COc1nn(Cc2cc(=O)n3[n-]cc(-c4ccc(C)cc4)c3n2)c(=O)c2ccccc21 ZINC000100223691 559132440 /nfs/dbraw/zinc/13/24/40/559132440.db2.gz DNCYMSZEQIUUNN-UHFFFAOYSA-N -1 0 413.437 3.177 40 0 HGABRM CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000044791440 559173234 /nfs/dbraw/zinc/17/32/34/559173234.db2.gz FKSXDCCGGAVXSX-UHFFFAOYSA-N -1 0 417.270 3.096 40 0 HGABRM CC(=O)c1c(C)n(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(O)c(C(=O)[O-])c12 ZINC000011691640 559182432 /nfs/dbraw/zinc/18/24/32/559182432.db2.gz HUNGJXLGSLGGGH-UHFFFAOYSA-N -1 0 407.831 3.447 40 0 HGABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118913675 559205189 /nfs/dbraw/zinc/20/51/89/559205189.db2.gz BHQCQFFYRZLCQQ-YORLJNINSA-N -1 0 408.579 3.449 40 0 HGABRM Cc1[n-]n2c(nc(CC(=O)NCCOc3ccccc3)cc2=O)c1-c1ccc(C)cc1 ZINC000575402300 560547684 /nfs/dbraw/zinc/54/76/84/560547684.db2.gz PNKKMKCDKWNDSM-UHFFFAOYSA-N -1 0 416.481 3.044 40 0 HGABRM CCOc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2C)cc1 ZINC000408887101 560650261 /nfs/dbraw/zinc/65/02/61/560650261.db2.gz NXGAGAFXURPVJP-UHFFFAOYSA-N -1 0 411.483 3.376 40 0 HGABRM O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000408969386 560659618 /nfs/dbraw/zinc/65/96/18/560659618.db2.gz NAXBPGBTCBYRCD-FQEVSTJZSA-N -1 0 419.437 3.032 40 0 HGABRM CC(C)N1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C1=O ZINC000409024855 560667809 /nfs/dbraw/zinc/66/78/09/560667809.db2.gz YARWYTFUDCIADS-WUXMJOGZSA-N -1 0 400.250 3.357 40 0 HGABRM COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000001161939 560727460 /nfs/dbraw/zinc/72/74/60/560727460.db2.gz NZGAHVKYNJJCCT-NVNXTCNLSA-N -1 0 401.396 3.163 40 0 HGABRM Cc1[n-]n(-c2nc3ccccc3o2)c(=O)c1[C@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000101983814 560730145 /nfs/dbraw/zinc/73/01/45/560730145.db2.gz YCBZXBTZHAFZTG-CQSZACIVSA-N -1 0 402.410 3.383 40 0 HGABRM O=C([O-])c1cccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1 ZINC000003652572 560734062 /nfs/dbraw/zinc/73/40/62/560734062.db2.gz ZEFIDGGKMGCFDD-UNOMPAQXSA-N -1 0 405.385 3.408 40 0 HGABRM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000014291509 560841120 /nfs/dbraw/zinc/84/11/20/560841120.db2.gz NLTKGEDASCJNFU-MRXNPFEDSA-N -1 0 408.907 3.191 40 0 HGABRM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000100766670 560850876 /nfs/dbraw/zinc/85/08/76/560850876.db2.gz PFJDIEDFCSXTMD-FMKPAKJESA-N -1 0 401.459 3.130 40 0 HGABRM COc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2OC)c(OC)c1 ZINC000016147566 560859691 /nfs/dbraw/zinc/85/96/91/560859691.db2.gz CTIJHTBYKVQXCZ-UHFFFAOYSA-N -1 0 402.266 3.276 40 0 HGABRM O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)C(Cl)(Cl)Cl ZINC000016384354 560860099 /nfs/dbraw/zinc/86/00/99/560860099.db2.gz YLRBIHXHOWTINN-UHFFFAOYSA-N -1 0 420.499 3.331 40 0 HGABRM C/C(=C\C(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)[O-] ZINC000211516107 568454895 /nfs/dbraw/zinc/45/48/95/568454895.db2.gz CLLPESKKEWCCHH-RVDMUPIBSA-N -1 0 410.426 3.068 40 0 HGABRM COc1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2NC(C)(C)C)cc1 ZINC000217485425 568472276 /nfs/dbraw/zinc/47/22/76/568472276.db2.gz TWMMMZWBDDRIOL-UHFFFAOYSA-N -1 0 406.504 3.125 40 0 HGABRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@H]1CCCO1)c1ccccc1 ZINC000217479087 568472322 /nfs/dbraw/zinc/47/23/22/568472322.db2.gz ZIHZJTRDIMVJNK-WMLDXEAASA-N -1 0 404.488 3.015 40 0 HGABRM C[C@@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000217499468 568472499 /nfs/dbraw/zinc/47/24/99/568472499.db2.gz ITSHCVYAQTWCPG-RHSMWYFYSA-N -1 0 404.488 3.015 40 0 HGABRM COc1ccc(CCNS(=O)(=O)c2ccc(NCCC(C)C)c(C(=O)[O-])c2)cc1 ZINC000217621090 568473210 /nfs/dbraw/zinc/47/32/10/568473210.db2.gz LGDJEPWWSCBQRV-UHFFFAOYSA-N -1 0 420.531 3.372 40 0 HGABRM COc1ccc(CCNS(=O)(=O)c2ccc(NC(C)(C)C)c(C(=O)[O-])c2)cc1 ZINC000217618362 568473214 /nfs/dbraw/zinc/47/32/14/568473214.db2.gz OVGJFSXYBDHIIX-UHFFFAOYSA-N -1 0 406.504 3.125 40 0 HGABRM CCOCCCNS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)[O-])c1 ZINC000217641905 568473281 /nfs/dbraw/zinc/47/32/81/568473281.db2.gz RMUGFDGCOBGSJD-OAHLLOKOSA-N -1 0 406.504 3.263 40 0 HGABRM CCOCCCNS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)[O-])c1 ZINC000217641194 568473349 /nfs/dbraw/zinc/47/33/49/568473349.db2.gz ACRUXXFKVNBDQH-UHFFFAOYSA-N -1 0 410.536 3.392 40 0 HGABRM COCCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc2nc(Cl)n(C)c2c1 ZINC000222553108 568518091 /nfs/dbraw/zinc/51/80/91/568518091.db2.gz ROGYGKDZLYJUNB-UHFFFAOYSA-N -1 0 405.838 3.197 40 0 HGABRM Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]C2CCCCCCC2)s1 ZINC000223244014 568542490 /nfs/dbraw/zinc/54/24/90/568542490.db2.gz AXDPOHRTJQEQMY-UHFFFAOYSA-N -1 0 408.549 3.490 40 0 HGABRM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3nnc(SC(C)C)s3)ccc21 ZINC000223337567 568545739 /nfs/dbraw/zinc/54/57/39/568545739.db2.gz DWPFJIVWIQWONB-UHFFFAOYSA-N -1 0 412.562 3.139 40 0 HGABRM CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc2oc1=O ZINC000223364656 568546622 /nfs/dbraw/zinc/54/66/22/568546622.db2.gz GNZOXIQDSDQTAZ-UHFFFAOYSA-N -1 0 412.851 3.086 40 0 HGABRM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3nc4c(s3)CCCC4)c(Cl)cc21 ZINC000223367663 568546704 /nfs/dbraw/zinc/54/67/04/568546704.db2.gz BVBLCLQOOQJEMY-UHFFFAOYSA-N -1 0 413.908 3.404 40 0 HGABRM COc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3c(F)cccc3Cl)n2)c1 ZINC000223649042 568554903 /nfs/dbraw/zinc/55/49/03/568554903.db2.gz HRNDCTMTLWNMQG-UHFFFAOYSA-N -1 0 411.842 3.157 40 0 HGABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)OC(C)C)ccc2OC)c1 ZINC000223677982 568555982 /nfs/dbraw/zinc/55/59/82/568555982.db2.gz BHRRALBRVJHEMX-UHFFFAOYSA-N -1 0 409.460 3.078 40 0 HGABRM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]C3CCCCCCC3)s2)cc1 ZINC000223755696 568558165 /nfs/dbraw/zinc/55/81/65/568558165.db2.gz LJLWDKHTZCSNRE-UHFFFAOYSA-N -1 0 408.549 3.490 40 0 HGABRM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)c1 ZINC000223843618 568560576 /nfs/dbraw/zinc/56/05/76/568560576.db2.gz KYLJIGGDSHXNCQ-UHFFFAOYSA-N -1 0 422.890 3.363 40 0 HGABRM CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)s1 ZINC000223882853 568561780 /nfs/dbraw/zinc/56/17/80/568561780.db2.gz NEWOFXJVBXFMPH-UHFFFAOYSA-N -1 0 404.473 3.480 40 0 HGABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000223945829 568563973 /nfs/dbraw/zinc/56/39/73/568563973.db2.gz LBUMBIIRXWQOAK-UHFFFAOYSA-N -1 0 418.500 3.217 40 0 HGABRM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)CC(C)(C)c2ccccc2)s1 ZINC000224098899 568569855 /nfs/dbraw/zinc/56/98/55/568569855.db2.gz JPNVWXIGTRRMED-CYBMUJFWSA-N -1 0 410.565 3.167 40 0 HGABRM CCSc1nnc([N-]S(=O)(=O)c2cc(Br)ccc2OC)s1 ZINC000224178880 568572764 /nfs/dbraw/zinc/57/27/64/568572764.db2.gz MUXUCHSXLWYBIZ-UHFFFAOYSA-N -1 0 410.340 3.222 40 0 HGABRM Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-][C@@H](C)c3ccc(F)cc3)s2)c1 ZINC000224591600 568586775 /nfs/dbraw/zinc/58/67/75/568586775.db2.gz KWGFLRIBJFBDRY-LBPRGKRZSA-N -1 0 420.491 3.277 40 0 HGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2F)c(Cl)c1Cl ZINC000224621144 568588589 /nfs/dbraw/zinc/58/85/89/568588589.db2.gz MTDQJZKHWDRZDC-UHFFFAOYSA-N -1 0 408.234 3.421 40 0 HGABRM Cc1ccc(CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000224740393 568594556 /nfs/dbraw/zinc/59/45/56/568594556.db2.gz NFLGKRRZGINNNQ-UHFFFAOYSA-N -1 0 416.528 3.010 40 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CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1NC(=O)CC ZINC000408696389 557710849 /nfs/dbraw/zinc/71/08/49/557710849.db2.gz ATHFBJQEKMGPNQ-UHFFFAOYSA-N -1 0 408.476 3.252 40 0 HGABRM O=C([O-])c1ccc(COc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)o1 ZINC000009259824 557832936 /nfs/dbraw/zinc/83/29/36/557832936.db2.gz SKNURRWXCSLHNH-YBFXNURJSA-N -1 0 418.430 3.327 40 0 HGABRM Cc1nc([N-]c2nc3ccccc3o2)ncc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000010157581 557856632 /nfs/dbraw/zinc/85/66/32/557856632.db2.gz WQGKMPIMCTUPSR-UHFFFAOYSA-N -1 0 403.398 3.329 40 0 HGABRM Cc1cc(NC(=S)NC(=O)c2cccc(Br)c2)cc(C(=O)[O-])c1O ZINC000020151812 558340982 /nfs/dbraw/zinc/34/09/82/558340982.db2.gz AHYDJDZASHIAPU-UHFFFAOYSA-N -1 0 409.261 3.288 40 0 HGABRM Cc1c2c(cc(=O)n1Cc1ccc3c(c1)OCO3)[n-]n(-c1ccc(Cl)cc1)c2=O ZINC000059707485 558938324 /nfs/dbraw/zinc/93/83/24/558938324.db2.gz GTHRAUUETDWHPB-UHFFFAOYSA-N -1 0 409.829 3.219 40 0 HGABRM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000100069093 559129577 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ZINC000514289566 560032114 /nfs/dbraw/zinc/03/21/14/560032114.db2.gz VEYHPOOZXONIBQ-GJZGRUSLSA-N -1 0 401.507 3.490 40 0 biogenic,in-vitro HGABRM Cc1cccc2sc(NC(=O)CSc3nc4[nH]c(=O)cc([O-])c4s3)nc21 ZINC000004945389 560616981 /nfs/dbraw/zinc/61/69/81/560616981.db2.gz IQSLXWPORHJVMD-UHFFFAOYSA-N -1 0 404.498 3.339 40 0 HGABRM CC(C)(C)NC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000408893656 560650395 /nfs/dbraw/zinc/65/03/95/560650395.db2.gz HKPQWDSTRLHPNL-UHFFFAOYSA-N -1 0 402.303 3.252 40 0 HGABRM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O ZINC000409009194 560665131 /nfs/dbraw/zinc/66/51/31/560665131.db2.gz BXQFGQHTWWCZCL-PILJQMSFSA-N -1 0 414.439 3.163 40 0 HGABRM CC(C)N1C(=O)S/C(=C\c2cc(Br)ccc2OCC(=O)[O-])C1=O ZINC000409062525 560671937 /nfs/dbraw/zinc/67/19/37/560671937.db2.gz WEFQWDGZMCAZLY-SDQBBNPISA-N -1 0 400.250 3.357 40 0 HGABRM Cc1[n-]n(-c2nc3ccccc3o2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000101983796 560730156 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404.422 3.401 40 0 HGABRM CN(CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000028719030 571037741 /nfs/dbraw/zinc/03/77/41/571037741.db2.gz VFOHNYPDLASXDO-UHFFFAOYSA-N -1 0 415.540 3.415 40 0 HGABRM O=S(=O)([O-])c1ccc(NN=c2cc(C3CC3)nc(NC3CCCCC3)[nH]2)cc1 ZINC000329036910 571308054 /nfs/dbraw/zinc/30/80/54/571308054.db2.gz RLAZZFSTIGSIDH-UHFFFAOYSA-N -1 0 403.508 3.784 40 0 HGABRM CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)[O-] ZINC000224537946 571313452 /nfs/dbraw/zinc/31/34/52/571313452.db2.gz BVPMIIMLKAWZFO-SPLOXXLWSA-N -1 0 410.470 3.141 40 0 HGABRM COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000035425052 291237469 /nfs/dbraw/zinc/23/74/69/291237469.db2.gz HLRFSIXRGRRFFO-IBGZPJMESA-N -1 0 424.457 3.192 40 0 biogenic,in-vitro HGABRM COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc4c(c3)OCO4)c2C(=O)[O-])cc1 ZINC000096296929 291239443 /nfs/dbraw/zinc/23/94/43/291239443.db2.gz SSPFJUDCUBIIAE-LLVKDONJSA-N -1 0 410.382 3.268 40 0 biogenic,in-vitro HGABRM 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COCc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 ZINC000225188689 568621265 /nfs/dbraw/zinc/62/12/65/568621265.db2.gz AMWSMAXQMVIXDV-UHFFFAOYSA-N -1 0 418.500 3.046 40 0 HGABRM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)c1 ZINC000225195890 568621822 /nfs/dbraw/zinc/62/18/22/568621822.db2.gz VJRISHQGXTXJRS-UHFFFAOYSA-N -1 0 407.926 3.279 40 0 HGABRM O=C([O-])CCC/C=C/C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C\[C@@H](O)COc1cccc(Cl)c1 ZINC000222215768 568710940 /nfs/dbraw/zinc/71/09/40/568710940.db2.gz VJGGHXVGBSZVMZ-MZSVHOMDSA-N -1 0 424.921 3.195 40 0 HGABRM Cc1cnccc1-c1cn(C)nc1-c1cccc(Cn2cc(C(=O)[O-])ccc2=O)c1 ZINC000257203148 568777019 /nfs/dbraw/zinc/77/70/19/568777019.db2.gz AOWMMBNZBPJLQO-UHFFFAOYSA-N -1 0 400.438 3.366 40 0 HGABRM CCn1c(C)nc2cc(C(=O)[N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000257248380 568789784 /nfs/dbraw/zinc/78/97/84/568789784.db2.gz JDKKBEFPVLMGEQ-UHFFFAOYSA-N -1 0 422.304 3.246 40 0 HGABRM COC[C@]1(C(=O)[O-])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218124132 568926242 /nfs/dbraw/zinc/92/62/42/568926242.db2.gz LCJXROGQBPWZLQ-LNLFQRSKSA-N -1 0 410.875 3.006 40 0 HGABRM COC[C@]1(C(=O)[O-])[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242548097 568964172 /nfs/dbraw/zinc/96/41/72/568964172.db2.gz LCJXROGQBPWZLQ-SCTDSRPQSA-N -1 0 410.875 3.006 40 0 HGABRM O=C([O-])CNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccc2)n1 ZINC000329038660 568974059 /nfs/dbraw/zinc/97/40/59/568974059.db2.gz RUARZWMFONHTSJ-UHFFFAOYSA-N -1 0 417.238 3.129 40 0 HGABRM O=C([O-])CNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)n1 ZINC000329040309 568974105 /nfs/dbraw/zinc/97/41/05/568974105.db2.gz SCVTYIRDDRFSSF-UHFFFAOYSA-N -1 0 404.348 3.126 40 0 HGABRM O=C([O-])CNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C(F)(F)F)n1 ZINC000329044887 568974401 /nfs/dbraw/zinc/97/44/01/568974401.db2.gz SYRBVYAOINAGEN-UHFFFAOYSA-N -1 0 414.693 3.252 40 0 HGABRM CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005167248 568991643 /nfs/dbraw/zinc/99/16/43/568991643.db2.gz OMOKWYAQVYBHMG-TVWVXWENSA-N -1 0 412.548 3.457 40 0 endogenous,world HGABRM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017082483 569273191 /nfs/dbraw/zinc/27/31/91/569273191.db2.gz BDMVNYBTHTVSCW-YUTCNCBUSA-N -1 0 402.516 3.371 40 0 HGABRM CC[C@@H](C)NC(=O)COc1c(Br)cc(C(=O)[O-])cc1Br ZINC000217735206 569281563 /nfs/dbraw/zinc/28/15/63/569281563.db2.gz OBCDCKSXAPSDHE-SSDOTTSWSA-N -1 0 409.074 3.203 40 0 HGABRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC ZINC000008477254 569341515 /nfs/dbraw/zinc/34/15/15/569341515.db2.gz JKTFKPMZGYYXOD-NTEUORMPSA-N -1 0 404.850 3.318 40 0 HGABRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)ccc1OCC#N ZINC000010130529 569343014 /nfs/dbraw/zinc/34/30/14/569343014.db2.gz DMPYCKQWUBPSOM-LFIBNONCSA-N -1 0 421.478 3.046 40 0 HGABRM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1cc(OC)ccc1OC ZINC000010130134 569343016 /nfs/dbraw/zinc/34/30/16/569343016.db2.gz GKBXBIIXNGCBTH-JXFKEZNVSA-N -1 0 419.499 3.470 40 0 HGABRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000040164313 574414524 /nfs/dbraw/zinc/41/45/24/574414524.db2.gz BHQCQFFYRZLCQQ-UTLSPDKDSA-N -1 0 408.579 3.449 40 0 endogenous,in-man HGABRM CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)[O-] ZINC000004222369 291232558 /nfs/dbraw/zinc/23/25/58/291232558.db2.gz SQVCLAPSXZMDAM-ZBMJNWKZSA-N -1 0 424.563 3.018 40 0 biogenic,in-vitro HGABRM CCc1nn2c(nnc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040395925 522713484 /nfs/dbraw/zinc/71/34/84/522713484.db2.gz TUQTXRSINHNUPB-UHFFFAOYSA-N -1 0 411.849 3.187 40 0 HGABRM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O ZINC000043772621 527572342 /nfs/dbraw/zinc/57/23/42/527572342.db2.gz VJGGHXVGBSZVMZ-HBWANGNJSA-N -1 0 424.921 3.195 40 0 in-vitro HGABRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Br ZINC000032610346 527658144 /nfs/dbraw/zinc/65/81/44/527658144.db2.gz HAZVJNGWLOWIKW-CHWSQXEVSA-N -1 0 422.254 3.439 40 0 HGABRM COc1cc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000001668744 557279484 /nfs/dbraw/zinc/27/94/84/557279484.db2.gz OZTLVHLVDYEZNN-DOMZBBRYSA-N -1 0 416.426 3.203 40 0 HGABRM O=C([O-])c1ccccc1OC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001703548 557281708 /nfs/dbraw/zinc/28/17/08/557281708.db2.gz QJENIZJTAFEYFE-UHFFFAOYSA-N -1 0 404.444 3.170 40 0 HGABRM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)C(=O)Nc2cccc(C)c2)cc1 ZINC000408564057 557470751 /nfs/dbraw/zinc/47/07/51/557470751.db2.gz XIMWDSGDQVJASW-UHFFFAOYSA-N -1 0 421.453 3.198 40 0 HGABRM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)ccc1OC ZINC000408588832 557494667 /nfs/dbraw/zinc/49/46/67/557494667.db2.gz ZHQJLXUVRPAOTC-UHFFFAOYSA-N -1 0 410.448 3.082 40 0 HGABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408670172 557659043 /nfs/dbraw/zinc/65/90/43/557659043.db2.gz IHHAIUWFBBXXFH-HDICACEKSA-N -1 0 404.422 3.401 40 0 HGABRM C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)[O-])c4)c3)C(=O)[C@H]21 ZINC000408669486 557661053 /nfs/dbraw/zinc/66/10/53/557661053.db2.gz HESHQYVOKGKQPR-ZNOIYHFQSA-N -1 0 404.422 3.339 40 0 HGABRM C[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408670940 557661845 /nfs/dbraw/zinc/66/18/45/557661845.db2.gz YOTXEOIPMAPHDO-KMWHNHHYSA-N -1 0 416.260 3.053 40 0 HGABRM C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)[O-])cc4)c3)C(=O)[C@@H]21 ZINC000408672904 557667068 /nfs/dbraw/zinc/66/70/68/557667068.db2.gz PCVMGCAVISCKDN-UPRAQXHNSA-N -1 0 404.422 3.339 40 0 HGABRM COc1ccc(-c2ccnc(SCC(=O)NCc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000005675971 557668347 /nfs/dbraw/zinc/66/83/47/557668347.db2.gz KWPFHEXNFROAOL-UHFFFAOYSA-N -1 0 409.467 3.259 40 0 HGABRM CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 ZINC000408681328 557686779 /nfs/dbraw/zinc/68/67/79/557686779.db2.gz IXWQIAASHPOAAH-RTBURBONSA-N -1 0 404.422 3.483 40 0 HGABRM CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408689108 557705666 /nfs/dbraw/zinc/70/56/66/557705666.db2.gz YHHNPKKFKGOKSJ-SJLPKXTDSA-N -1 0 404.422 3.483 40 0 HGABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000035898153 557829518 /nfs/dbraw/zinc/82/95/18/557829518.db2.gz RGAGQKMRRLTDJO-GFOFROLCSA-N -1 0 411.424 3.199 40 0 HGABRM COc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)[O-])cc2)cc1Br ZINC000020152944 558341728 /nfs/dbraw/zinc/34/17/28/558341728.db2.gz WNZATJXUAWROAL-UHFFFAOYSA-N -1 0 423.288 3.212 40 0 HGABRM COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)oc21 ZINC000030754092 558736768 /nfs/dbraw/zinc/73/67/68/558736768.db2.gz HCHTYJOBBBPSPP-UHFFFAOYSA-N -1 0 424.438 3.285 40 0 HGABRM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000036697012 558800992 /nfs/dbraw/zinc/80/09/92/558800992.db2.gz AIRDUEZRCANJHS-CQSZACIVSA-N -1 0 414.512 3.397 40 0 HGABRM Cc1[n-]n(-c2nc3ccccc3o2)c(=O)c1[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000100068966 559129445 /nfs/dbraw/zinc/12/94/45/559129445.db2.gz RUICPTNFNTWHFM-GFCCVEGCSA-N -1 0 406.373 3.214 40 0 HGABRM COCc1[n-]n2c(nc(C[C@@H](C)n3nc(C)nc3C)cc2=O)c1-c1ccc(OC)cc1 ZINC000100776492 559140673 /nfs/dbraw/zinc/14/06/73/559140673.db2.gz ACNYKZRMGDDDOE-CYBMUJFWSA-N -1 0 422.489 3.269 40 0 HGABRM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000226855999 559274084 /nfs/dbraw/zinc/27/40/84/559274084.db2.gz QRGDWBJPRUZCOC-UHFFFAOYSA-N -1 0 415.707 3.095 40 0 HGABRM O=C([O-])COc1ccc(Br)cc1/C=C1/NC(=O)N(c2ccccc2)C1=O ZINC000409013907 560666141 /nfs/dbraw/zinc/66/61/41/560666141.db2.gz OKOJHDIQQZUAGD-NTEUORMPSA-N -1 0 417.215 3.010 40 0 HGABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCO2)ccc1Cl ZINC000409410315 560721208 /nfs/dbraw/zinc/72/12/08/560721208.db2.gz MHQSVXWBCHUICT-OAHLLOKOSA-N -1 0 408.907 3.358 40 0 HGABRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000017654071 560721818 /nfs/dbraw/zinc/72/18/18/560721818.db2.gz BHQCQFFYRZLCQQ-RTMISGTHSA-N -1 0 408.579 3.449 40 0 biogenic HGABRM Cc1ccc2c(nc3s/c(=C/c4cn(CC(=O)[O-])c5ccccc45)c(=O)n23)c1C ZINC000005588169 560738091 /nfs/dbraw/zinc/73/80/91/560738091.db2.gz RYMCZPKGMXJBSB-GIJQJNRQSA-N -1 0 403.463 3.113 40 0 HGABRM O=C([O-])c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 ZINC000004506692 560897021 /nfs/dbraw/zinc/89/70/21/560897021.db2.gz KTYNEGDZQKOLSA-ATNYCFDYSA-N -1 0 404.422 3.173 40 0 HGABRM O=C([O-])c1ccc(NCc2ccco2)c(S(=O)(=O)NCCc2ccccc2)c1 ZINC000217483384 568472262 /nfs/dbraw/zinc/47/22/62/568472262.db2.gz YESJVWHFKCKHIP-UHFFFAOYSA-N -1 0 400.456 3.111 40 0 HGABRM COc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000223255779 568542851 /nfs/dbraw/zinc/54/28/51/568542851.db2.gz FQLNFVUANGABLG-UHFFFAOYSA-N -1 0 424.891 3.253 40 0 HGABRM 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414.539 3.311 40 0 biogenic,in-vitro HGABRM COc1ccc(S(=O)(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)[O-])cc1 ZINC000096296874 291240646 /nfs/dbraw/zinc/24/06/46/291240646.db2.gz XMWFNCBRHFHKRK-LLVKDONJSA-N -1 0 420.418 3.227 40 0 biogenic,in-vitro HGABRM CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCC(=O)[O-])C2)cc1 ZINC000004237200 291241353 /nfs/dbraw/zinc/24/13/53/291241353.db2.gz FRPKWOVOEPXGEX-GOEBONIOSA-N -1 0 412.511 3.048 40 0 biogenic,in-vitro HGABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000004999573 132298030 /nfs/dbraw/zinc/29/80/30/132298030.db2.gz JBLIRRPOKMYFRG-YIFBXAAPSA-N -1 0 410.392 3.003 40 0 HGABRM CC(C)CSc1nnc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)s1 ZINC000225685143 519769860 /nfs/dbraw/zinc/76/98/60/519769860.db2.gz CJZWJIYFTPAYED-UHFFFAOYSA-N -1 0 416.575 3.000 40 0 HGABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000225753691 526293358 /nfs/dbraw/zinc/29/33/58/526293358.db2.gz 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