smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1O ZINC000009056476 132226453 /nfs/dbraw/zinc/22/64/53/132226453.db2.gz WYYUODPEGJJXHP-MDWZMJQESA-N -1 0 447.310 3.303 40 10 IGCBRM Cc1c(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cccc1[N+](=O)[O-] ZINC000408551275 555858988 /nfs/dbraw/zinc/85/89/88/555858988.db2.gz MTFIULPBVCVCSZ-FLIBITNWSA-N -1 0 434.836 3.439 40 10 IGCBRM COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)o1 ZINC000408692266 556094813 /nfs/dbraw/zinc/09/48/13/556094813.db2.gz IVEZDSKMOIWCIK-LFIBNONCSA-N -1 0 425.397 3.268 40 10 IGCBRM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC(=O)N3CCOCC3)cc1)N2 ZINC000408736285 556204025 /nfs/dbraw/zinc/20/40/25/556204025.db2.gz PDDPOALYSAKBIY-NMMYMHLASA-N -1 0 434.492 3.449 40 10 IGCBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@H](C(=O)[O-])C(C)C)C1=O ZINC000008870200 556229247 /nfs/dbraw/zinc/22/92/47/556229247.db2.gz ARTYIAJULXOKLB-AZBRHKLVSA-N -1 0 432.567 3.450 40 10 IGCBRM CCCOc1c(OC)cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000032099532 556528864 /nfs/dbraw/zinc/52/88/64/556528864.db2.gz IEXXASSOLFLVDN-YVLHZVERSA-N -1 0 425.441 3.470 40 10 IGCBRM COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OC)C(=O)[N-]C2=S)cc1 ZINC000408761879 556688015 /nfs/dbraw/zinc/68/80/15/556688015.db2.gz HOKGMIKVCHSNMY-GDNBJRDFSA-N -1 0 447.310 3.298 40 10 IGCBRM COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 ZINC000408777060 556850614 /nfs/dbraw/zinc/85/06/14/556850614.db2.gz VASXLOSDCUUJST-WOJGMQOQSA-N -1 0 447.516 3.262 40 10 IGCBRM CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408812752 556863026 /nfs/dbraw/zinc/86/30/26/556863026.db2.gz PKTNGRUJNMFJDL-LFIBNONCSA-N -1 0 428.828 3.192 40 10 IGCBRM CN(C)c1oc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000408849784 556870729 /nfs/dbraw/zinc/87/07/29/556870729.db2.gz ZDFKENHBIFVMPS-KPKJPENVSA-N -1 0 438.665 3.428 40 10 IGCBRM CCOc1ccc(O)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)c1 ZINC000408854183 556871677 /nfs/dbraw/zinc/87/16/77/556871677.db2.gz ZGLUWSUNVWXVQV-SFQUDFHCSA-N -1 0 440.452 3.255 40 10 IGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000408900578 556882239 /nfs/dbraw/zinc/88/22/39/556882239.db2.gz YXQOTMLNZPQRCS-ZROIWOOFSA-N -1 0 445.269 3.441 40 10 IGCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409066696 556941822 /nfs/dbraw/zinc/94/18/22/556941822.db2.gz PIDMBZXIWWGQHU-HKWRFOASSA-N -1 0 448.456 3.121 40 10 IGCBRM COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409172719 556984303 /nfs/dbraw/zinc/98/43/03/556984303.db2.gz HANJVXKTIJTIOI-XYOKQWHBSA-N -1 0 432.885 3.197 40 10 IGCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409204074 557002925 /nfs/dbraw/zinc/00/29/25/557002925.db2.gz AJVVBVZYFFPSSY-LFIBNONCSA-N -1 0 425.397 3.059 40 10 IGCBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1 ZINC000409222243 557017159 /nfs/dbraw/zinc/01/71/59/557017159.db2.gz WIUCFUSEOKWOBK-LFIBNONCSA-N -1 0 426.494 3.161 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)ccc1N1CCOCC1 ZINC000409238593 557020009 /nfs/dbraw/zinc/02/00/09/557020009.db2.gz AZJWBCDGQPRTGU-DTQAZKPQSA-N -1 0 441.940 3.316 40 10 IGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1OC ZINC000409233801 557025269 /nfs/dbraw/zinc/02/52/69/557025269.db2.gz XLMXKYKHFOOUDU-RVDMUPIBSA-N -1 0 426.494 3.161 40 10 IGCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000409263339 557041058 /nfs/dbraw/zinc/04/10/58/557041058.db2.gz MEOFJIJXUPILQY-UHFFFAOYSA-N -1 0 448.262 3.069 40 10 IGCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1)Nc1ccccc1 ZINC000409263943 557041448 /nfs/dbraw/zinc/04/14/48/557041448.db2.gz DBYNMFGJKZVHMR-QNGOZBTKSA-N -1 0 441.443 3.371 40 10 IGCBRM CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])SC1=S ZINC000409377240 557092694 /nfs/dbraw/zinc/09/26/94/557092694.db2.gz GWQYLRZUDDSONJ-WTKPLQERSA-N -1 0 436.252 3.126 40 10 IGCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000002277947 557129288 /nfs/dbraw/zinc/12/92/88/557129288.db2.gz TZQKWHXWJUYKKX-OQLLNIDSSA-N -1 0 433.233 3.259 40 10 IGCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223579183 557488173 /nfs/dbraw/zinc/48/81/73/557488173.db2.gz LEVFJKSSCCJWME-SFTDATJTSA-N -1 0 436.537 3.152 40 10 IGCBRM C#CCOc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC ZINC000033655877 569259418 /nfs/dbraw/zinc/25/94/18/569259418.db2.gz JRXYPXMSFNXICS-WJDWOHSUSA-N -1 0 441.281 3.321 40 10 IGCBRM CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000107829334 569260597 /nfs/dbraw/zinc/26/05/97/569260597.db2.gz BFIPFKIBYWBYGG-ZROIWOOFSA-N -1 0 432.230 3.217 40 10 IGCBRM COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000217411352 569261495 /nfs/dbraw/zinc/26/14/95/569261495.db2.gz MXPGAVYMLYECIT-NTUHNPAUSA-N -1 0 447.856 3.097 40 10 IGCBRM CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4C)C3=O)sc2c1 ZINC000408534390 569584526 /nfs/dbraw/zinc/58/45/26/569584526.db2.gz QURBUHYOXXLRDX-RVDMUPIBSA-N -1 0 436.493 3.891 40 10 IGCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3C)C(=O)[N-]C2=S)cc1 ZINC000408548304 555803158 /nfs/dbraw/zinc/80/31/58/555803158.db2.gz FYZSNBAUXFZLSZ-GZTJUZNOSA-N -1 0 426.494 3.242 40 10 IGCBRM CN1CCN(c2ccc(/C=C(/Sc3nc4ccccc4[nH]3)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000408634387 556014677 /nfs/dbraw/zinc/01/46/77/556014677.db2.gz QNRZCLHYJNGPHD-CPNJWEJPSA-N -1 0 439.497 3.441 40 10 IGCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1 ZINC000408694545 556096821 /nfs/dbraw/zinc/09/68/21/556096821.db2.gz JLNKHYGYFMYWHM-XSFVSMFZSA-N -1 0 447.491 3.417 40 10 IGCBRM CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)[O-] ZINC000008870097 556228963 /nfs/dbraw/zinc/22/89/63/556228963.db2.gz OZBMGPLFCFUMRR-DLEKYWELSA-N -1 0 436.555 3.046 40 10 IGCBRM CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000008870175 556229279 /nfs/dbraw/zinc/22/92/79/556229279.db2.gz RRNKJKKLSUKDKD-CFUGXXKRSA-N -1 0 432.567 3.450 40 10 IGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000016691689 556627335 /nfs/dbraw/zinc/62/73/35/556627335.db2.gz AIGLHGOYBOPICT-ZSOIEALJSA-N -1 0 427.369 3.214 40 10 IGCBRM CN(C)c1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000000943940 556748359 /nfs/dbraw/zinc/74/83/59/556748359.db2.gz OPRNKVGFEOBUFJ-VBQJREDUSA-N -1 0 429.489 3.083 40 10 IGCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)ccc3OC)C2=O)c1 ZINC000408851428 556870920 /nfs/dbraw/zinc/87/09/20/556870920.db2.gz ZHTATIVDHKEYKR-SFQUDFHCSA-N -1 0 440.452 3.168 40 10 IGCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408866147 556873560 /nfs/dbraw/zinc/87/35/60/556873560.db2.gz FYCZZLFYAZKHIK-VIZOYTHASA-N -1 0 446.213 3.032 40 10 IGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OC)c1 ZINC000408898245 556883383 /nfs/dbraw/zinc/88/33/83/556883383.db2.gz PIZKOOQMDPXBIA-DHDCSXOGSA-N -1 0 445.269 3.441 40 10 IGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000408939403 556896330 /nfs/dbraw/zinc/89/63/30/556896330.db2.gz MKBVNJAGWBLGET-MDWZMJQESA-N -1 0 446.213 3.032 40 10 IGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)c(OC)c1 ZINC000408961693 556901116 /nfs/dbraw/zinc/90/11/16/556901116.db2.gz UQZBTKROXTZFHW-CPNJWEJPSA-N -1 0 435.480 3.279 40 10 IGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)cc1 ZINC000409198335 556995471 /nfs/dbraw/zinc/99/54/71/556995471.db2.gz CUQUGLJHSBGGKX-DZSVRRGNSA-N -1 0 437.496 3.349 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409223433 557017714 /nfs/dbraw/zinc/01/77/14/557017714.db2.gz FSVGKMJGDIJXIJ-FYJGNVAPSA-N -1 0 429.480 3.222 40 10 IGCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OC)c(OC)c2)C1=O ZINC000409250835 557031252 /nfs/dbraw/zinc/03/12/52/557031252.db2.gz ODPIBFZIGCYJFK-UKTHLTGXSA-N -1 0 430.844 3.422 40 10 IGCBRM COc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1OCC(=O)[O-] ZINC000409331467 557065326 /nfs/dbraw/zinc/06/53/26/557065326.db2.gz OBTSFVUKRAQFCB-DHDCSXOGSA-N -1 0 446.462 3.473 40 10 IGCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000409374758 557090181 /nfs/dbraw/zinc/09/01/81/557090181.db2.gz YOAINCRLSQILNC-RIYZIHGNSA-N -1 0 433.258 3.491 40 10 IGCBRM CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCC(C)CC3)cc2)s1 ZINC000222892538 557399668 /nfs/dbraw/zinc/39/96/68/557399668.db2.gz IXZVGHOGMSGSJQ-CQSZACIVSA-N -1 0 437.591 3.162 40 10 IGCBRM C[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000033536899 557408397 /nfs/dbraw/zinc/40/83/97/557408397.db2.gz GQBHOXAXOWXNQF-IHIBIECDSA-N -1 0 438.958 3.395 40 10 IGCBRM CCOc1cc(Br)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC ZINC000059167723 557817387 /nfs/dbraw/zinc/81/73/87/557817387.db2.gz SDMYZSFZTZZFBK-LFYBBSHMSA-N -1 0 432.317 3.142 40 10 IGCBRM COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1C ZINC000108925173 569253174 /nfs/dbraw/zinc/25/31/74/569253174.db2.gz LDOSHFBZSQUODO-XDHOZWIPSA-N -1 0 447.447 3.136 40 10 IGCBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000108993326 569260972 /nfs/dbraw/zinc/26/09/72/569260972.db2.gz RCUOGCGECBOFID-GDNBJRDFSA-N -1 0 429.270 3.484 40 10 IGCBRM CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccccc4CC)C3=O)sc2c1 ZINC000408529799 569584556 /nfs/dbraw/zinc/58/45/56/569584556.db2.gz IAJQKOIBOVJLTO-NTCAYCPXSA-N -1 0 436.493 3.836 40 10 IGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3)C2=O)cc1 ZINC000408531385 555732003 /nfs/dbraw/zinc/73/20/03/555732003.db2.gz KLMNGPWEUJYUGV-LFIBNONCSA-N -1 0 430.258 3.427 40 10 IGCBRM COc1ccccc1Oc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cn1 ZINC000408547108 555802105 /nfs/dbraw/zinc/80/21/05/555802105.db2.gz XWZBJUODWIXZDS-VBKFSLOCSA-N -1 0 434.408 3.050 40 10 IGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1 ZINC000408758010 556634048 /nfs/dbraw/zinc/63/40/48/556634048.db2.gz UJUWCJLEGANOFQ-BKUYFWCQSA-N -1 0 430.464 3.473 40 10 IGCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408763021 556828202 /nfs/dbraw/zinc/82/82/02/556828202.db2.gz GWBJMYKECSVYNZ-AQTBWJFISA-N -1 0 448.456 3.339 40 10 IGCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1O ZINC000408812030 556862703 /nfs/dbraw/zinc/86/27/03/556862703.db2.gz BXAGCKMRFHQMNV-OVCLIPMQSA-N -1 0 445.269 3.447 40 10 IGCBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000408851467 556870988 /nfs/dbraw/zinc/87/09/88/556870988.db2.gz ZRKPQBNZSSCQDS-AWNIVKPZSA-N -1 0 444.827 3.142 40 10 IGCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 ZINC000408851602 556871021 /nfs/dbraw/zinc/87/10/21/556871021.db2.gz DETBISHPOUENHA-NTEUORMPSA-N -1 0 448.248 3.448 40 10 IGCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000408901452 556882573 /nfs/dbraw/zinc/88/25/73/556882573.db2.gz YGUVDHXRLYTHKS-FYJGNVAPSA-N -1 0 442.475 3.168 40 10 IGCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Cl)cc1OC ZINC000408949483 556897808 /nfs/dbraw/zinc/89/78/08/556897808.db2.gz IDXQQORSUOIOSF-AWNIVKPZSA-N -1 0 444.827 3.142 40 10 IGCBRM COc1ccc(N2C(=O)/C(=C/c3ccccc3OC(C)C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409065199 556941383 /nfs/dbraw/zinc/94/13/83/556941383.db2.gz IBVWBRYAHKLXAV-LFIBNONCSA-N -1 0 426.494 3.322 40 10 IGCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)[N-]C2=S)c(C)c1 ZINC000409141009 556972395 /nfs/dbraw/zinc/97/23/95/556972395.db2.gz GPVXKCSTQOWWCR-SFQUDFHCSA-N -1 0 439.512 3.110 40 10 IGCBRM Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)OC(C)C)cc2)C(=O)[N-]C1=S ZINC000409189335 556995777 /nfs/dbraw/zinc/99/57/77/556995777.db2.gz JKRAOBSUWOZVQS-LDADJPATSA-N -1 0 438.505 3.157 40 10 IGCBRM CCN1C(=O)[N-]C(=O)/C(=C\c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)C1=O ZINC000409207290 556996412 /nfs/dbraw/zinc/99/64/12/556996412.db2.gz RIPKGAVYHXJVFC-OQLLNIDSSA-N -1 0 429.498 3.041 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409214390 557008861 /nfs/dbraw/zinc/00/88/61/557008861.db2.gz XEDGOQZCRCDQMI-XSFVSMFZSA-N -1 0 428.448 3.155 40 10 IGCBRM COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409228186 557014870 /nfs/dbraw/zinc/01/48/70/557014870.db2.gz VNSJGMIXTZDXIX-MDWZMJQESA-N -1 0 430.844 3.341 40 10 IGCBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000409228725 557015585 /nfs/dbraw/zinc/01/55/85/557015585.db2.gz DDPZZMDEKGPQTB-WOJGMQOQSA-N -1 0 449.463 3.081 40 10 IGCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(Br)c2)C1=O ZINC000409238288 557019810 /nfs/dbraw/zinc/01/98/10/557019810.db2.gz WRQSKTBDMBBLLV-FMIVXFBMSA-N -1 0 431.242 3.220 40 10 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449.488 3.031 40 10 IGCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)[N-]C2=S)c1C ZINC000409135577 556969106 /nfs/dbraw/zinc/96/91/06/556969106.db2.gz ZFRSJDQBIYJBPI-SFQUDFHCSA-N -1 0 439.512 3.110 40 10 IGCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)cc2OC)C1=O ZINC000409245248 557026975 /nfs/dbraw/zinc/02/69/75/557026975.db2.gz PRBQGTJVMFBULU-NBVRZTHBSA-N -1 0 435.480 3.361 40 10 IGCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)o2)c(C)c1 ZINC000409244959 557027045 /nfs/dbraw/zinc/02/70/45/557027045.db2.gz LFHMJVXSCQZSGY-WOJGMQOQSA-N -1 0 431.404 3.103 40 10 IGCBRM CN(C)c1ccc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000011990811 557237865 /nfs/dbraw/zinc/23/78/65/557237865.db2.gz OPRNKVGFEOBUFJ-JJRVBVJISA-N -1 0 429.489 3.083 40 10 IGCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OC ZINC000013343719 557306647 /nfs/dbraw/zinc/30/66/47/557306647.db2.gz IWXRTOPVZCCLJI-WDZFZDKYSA-N -1 0 432.317 3.142 40 10 IGCBRM 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CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I ZINC000035362391 556083914 /nfs/dbraw/zinc/08/39/14/556083914.db2.gz YVRPMOKADCSDNK-UVTDQMKNSA-N -1 0 434.233 3.151 40 10 IGCBRM O=C([O-])CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)SC1=S ZINC000408724127 556151574 /nfs/dbraw/zinc/15/15/74/556151574.db2.gz FWSOMUMAOJMWNO-OQLLNIDSSA-N -1 0 444.446 3.100 40 10 IGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 ZINC000408740510 556212551 /nfs/dbraw/zinc/21/25/51/556212551.db2.gz LEYKLYNSRWBHCK-NTEUORMPSA-N -1 0 431.242 3.220 40 10 IGCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br ZINC000408759228 556685819 /nfs/dbraw/zinc/68/58/19/556685819.db2.gz ACLCLAIXLMFPNA-NTEUORMPSA-N -1 0 430.214 3.332 40 10 IGCBRM COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)c2c1 ZINC000408952364 556898884 /nfs/dbraw/zinc/89/88/84/556898884.db2.gz NLWGANWQQWBBHI-WOJGMQOQSA-N -1 0 446.415 3.252 40 10 IGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1 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ZINC000408739760 556210597 /nfs/dbraw/zinc/21/05/97/556210597.db2.gz ACAQLKRFWFVDGU-MHWRWJLKSA-N -1 0 430.327 3.346 40 10 IGCBRM O=C([O-])CN1C(=O)/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)SC1=S ZINC000009310594 556278859 /nfs/dbraw/zinc/27/88/59/556278859.db2.gz PUBOWAVLMKJREH-CAOOACKPSA-N -1 0 429.475 3.280 40 10 IGCBRM CC(C)C[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000012032602 556389102 /nfs/dbraw/zinc/38/91/02/556389102.db2.gz IXEPFFXVFWQURN-SQGVVCSDSA-N -1 0 432.567 3.450 40 10 IGCBRM Cc1ccccc1N1C(=O)/C(=C/c2cccc(I)c2)C(=O)[N-]C1=S ZINC000016362862 556603101 /nfs/dbraw/zinc/60/31/01/556603101.db2.gz LAYFANNADWWPPT-GXDHUFHOSA-N -1 0 448.285 3.431 40 10 IGCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)[N-]C2=S)c1 ZINC000408765125 556829304 /nfs/dbraw/zinc/82/93/04/556829304.db2.gz WPMMWRJMBMFPOF-XYOKQWHBSA-N -1 0 438.246 3.024 40 10 IGCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000408804859 556860519 /nfs/dbraw/zinc/86/05/19/556860519.db2.gz 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CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Br)c3)C2=O)cc1 ZINC000408876823 556876961 /nfs/dbraw/zinc/87/69/61/556876961.db2.gz QZCCAWYPBZZYMQ-LFIBNONCSA-N -1 0 443.253 3.292 40 10 IGCBRM Cc1cc(C)cc(COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)c1 ZINC000408900081 556881987 /nfs/dbraw/zinc/88/19/87/556881987.db2.gz SPLWXFWURADUBA-UHFFFAOYSA-N -1 0 429.270 3.394 40 10 IGCBRM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c1C ZINC000408998954 556913586 /nfs/dbraw/zinc/91/35/86/556913586.db2.gz JONDHSGQHCAUJY-DHDCSXOGSA-N -1 0 429.498 3.041 40 10 IGCBRM CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)C(C(=O)OC)=C2C)cc1 ZINC000409022775 556923053 /nfs/dbraw/zinc/92/30/53/556923053.db2.gz SKKBBWVDYCXTLB-UYRXBGFRSA-N -1 0 435.432 3.439 40 10 IGCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000409100664 556955282 /nfs/dbraw/zinc/95/52/82/556955282.db2.gz WBQVBPGAXHVXSX-LDADJPATSA-N -1 0 427.913 3.008 40 10 IGCBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000409107808 556959659 /nfs/dbraw/zinc/95/96/59/556959659.db2.gz QVFZQVONRMSCKK-RVDMUPIBSA-N -1 0 439.443 3.110 40 10 IGCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c(OC)c1 ZINC000409171797 556983816 /nfs/dbraw/zinc/98/38/16/556983816.db2.gz APIPAWCHXNZHSF-GHRIWEEISA-N -1 0 439.537 3.381 40 10 IGCBRM CC(C)OC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409187312 556988063 /nfs/dbraw/zinc/98/80/63/556988063.db2.gz OTHRXGILICXQLB-VCHYOVAHSA-N -1 0 442.855 3.337 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409193025 556992745 /nfs/dbraw/zinc/99/27/45/556992745.db2.gz AGUWVFOZAQIISY-PCJMVEANSA-N -1 0 427.501 3.254 40 10 IGCBRM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(OC)cc1OC ZINC000017103333 557491940 /nfs/dbraw/zinc/49/19/40/557491940.db2.gz APCMTJDAFQYPPT-HMAPJEAMSA-N -1 0 439.468 3.364 40 10 IGCBRM Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000059139661 557816989 /nfs/dbraw/zinc/81/69/89/557816989.db2.gz PPZVTJPUMUMVEH-UHFFFAOYSA-N -1 0 431.901 3.044 40 10 IGCBRM C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC ZINC000033452388 569259315 /nfs/dbraw/zinc/25/93/15/569259315.db2.gz VSWSHTOTXZSQOX-WJDWOHSUSA-N -1 0 441.281 3.321 40 10 IGCBRM O=C(Oc1ccccc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000033667620 569259574 /nfs/dbraw/zinc/25/95/74/569259574.db2.gz OCCUWMUFAQVHSG-XMHGGMMESA-N -1 0 429.388 3.275 40 10 IGCBRM CCOC(=O)Cn1c(C)c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc21 ZINC000033653694 520917008 /nfs/dbraw/zinc/91/70/08/520917008.db2.gz WBJSNTFBCFFLHY-MHWRWJLKSA-N -1 0 432.523 3.189 40 10 IGCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)CC ZINC000408536106 555759041 /nfs/dbraw/zinc/75/90/41/555759041.db2.gz PSQRSBXGUAWWKY-BOPFTXTBSA-N -1 0 438.436 3.076 40 10 IGCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(=O)c3ccco3)C2=O)c1 ZINC000408536257 555759856 /nfs/dbraw/zinc/75/98/56/555759856.db2.gz 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O=C([O-])CN1C(=O)/C(=C\c2cc(Br)c(Br)o2)SC1=S ZINC000408954003 556898900 /nfs/dbraw/zinc/89/89/00/556898900.db2.gz RJORCINWDCZPOV-QHHAFSJGSA-N -1 0 427.095 3.090 40 10 IGCBRM Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408996587 556912430 /nfs/dbraw/zinc/91/24/30/556912430.db2.gz IXWSQVQGJSOLFK-CPNJWEJPSA-N -1 0 429.480 3.435 40 10 IGCBRM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000409095470 556952987 /nfs/dbraw/zinc/95/29/87/556952987.db2.gz BGTGSXQWFQPJMZ-AQTBWJFISA-N -1 0 439.537 3.381 40 10 IGCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(C)c3)C(=O)[N-]C2=S)c1C ZINC000409125348 556964915 /nfs/dbraw/zinc/96/49/15/556964915.db2.gz NDBZRKXGBKXIAO-XMHGGMMESA-N -1 0 435.549 3.280 40 10 IGCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409125429 556964955 /nfs/dbraw/zinc/96/49/55/556964955.db2.gz AGBBTPBIDCAJFB-MHWRWJLKSA-N -1 0 445.903 3.147 40 10 IGCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)c2C)cc1 ZINC000409136618 556969710 /nfs/dbraw/zinc/96/97/10/556969710.db2.gz SCCNRXGPOYNKNO-LICLKQGHSA-N -1 0 428.466 3.392 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409205211 557003366 /nfs/dbraw/zinc/00/33/66/557003366.db2.gz ORMMPLXXTNUBSZ-PYJSORCASA-N -1 0 427.501 3.254 40 10 IGCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc(OC)c1OC ZINC000409239342 557020616 /nfs/dbraw/zinc/02/06/16/557020616.db2.gz MXLQHXAQADWMIW-XYOKQWHBSA-N -1 0 432.885 3.197 40 10 IGCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409245306 557027357 /nfs/dbraw/zinc/02/73/57/557027357.db2.gz QQPLTGKLNGCNDK-NBVRZTHBSA-N -1 0 446.419 3.451 40 10 IGCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)cc2)c1 ZINC000409338822 557073732 /nfs/dbraw/zinc/07/37/32/557073732.db2.gz BQBKWYCHMAMMNW-YVLHZVERSA-N -1 0 442.518 3.298 40 10 IGCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1OC ZINC000409371018 557089719 /nfs/dbraw/zinc/08/97/19/557089719.db2.gz CNGGQMZVPJVLTM-NTUHNPAUSA-N -1 0 449.257 3.111 40 10 IGCBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000014133201 557421908 /nfs/dbraw/zinc/42/19/08/557421908.db2.gz LWPIYVACOXBUOG-SFQUDFHCSA-N -1 0 435.480 3.279 40 10 IGCBRM Cc1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)ccc1OCC(=O)N(C)C ZINC000223249554 557451023 /nfs/dbraw/zinc/45/10/23/557451023.db2.gz MMWBGCTXMHORDK-UHFFFAOYSA-N -1 0 431.539 3.386 40 10 IGCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223579621 557488360 /nfs/dbraw/zinc/48/83/60/557488360.db2.gz USTSDYZFNMONKL-LEWJYISDSA-N -1 0 436.537 3.152 40 10 IGCBRM CCOC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(CC)C2=O)c2cc(Br)ccc21 ZINC000059087283 557813748 /nfs/dbraw/zinc/81/37/48/557813748.db2.gz QCNYRSZRLZSMPR-VGOFMYFVSA-N -1 0 448.273 3.289 40 10 IGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)o3)C2=O)cc1 ZINC000004471705 536184018 /nfs/dbraw/zinc/18/40/18/536184018.db2.gz IMDIZRLJAPTWRA-LCYFTJDESA-N 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COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000408722581 556149500 /nfs/dbraw/zinc/14/95/00/556149500.db2.gz LEZULCTYGNOBIG-AWNIVKPZSA-N -1 0 447.856 3.097 40 10 IGCBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408739306 556210098 /nfs/dbraw/zinc/21/00/98/556210098.db2.gz BCFWWTQKGKSLBE-MDWZMJQESA-N -1 0 431.242 3.133 40 10 IGCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)[N-]C1=S ZINC000408740106 556211663 /nfs/dbraw/zinc/21/16/63/556211663.db2.gz DOOQZNJQUXBBEN-NTEUORMPSA-N -1 0 446.282 3.497 40 10 IGCBRM O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000008870213 556229295 /nfs/dbraw/zinc/22/92/95/556229295.db2.gz BRKKDVLQZYHQSX-ATVHPVEESA-N -1 0 435.548 3.355 40 10 IGCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O ZINC000408934405 556895207 /nfs/dbraw/zinc/89/52/07/556895207.db2.gz ALGZSMFMBBIBMG-NTUHNPAUSA-N -1 0 431.788 3.019 40 10 IGCBRM 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IGCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000409073974 556946943 /nfs/dbraw/zinc/94/69/43/556946943.db2.gz OPLBVPFHQMMUOL-XDJHFCHBSA-N -1 0 448.456 3.121 40 10 IGCBRM CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C1=O)OCO2 ZINC000409095303 556950303 /nfs/dbraw/zinc/95/03/03/556950303.db2.gz ARGPPKZMRMFMEK-AUWJEWJLSA-N -1 0 430.869 3.299 40 10 IGCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc4c(cc3OCC)OCO4)C(=O)[N-]C2=S)c1 ZINC000409101598 556955820 /nfs/dbraw/zinc/95/58/20/556955820.db2.gz WMJGLQRAWDCSHH-PXNMLYILSA-N -1 0 440.477 3.044 40 10 IGCBRM COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2C)C1=O ZINC000409129078 556966809 /nfs/dbraw/zinc/96/68/09/556966809.db2.gz IMSDDAMKPZOILW-OQLLNIDSSA-N -1 0 426.494 3.161 40 10 IGCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(C)c3)C(=O)[N-]C2=S)c(C)c1 ZINC000409139549 556971389 /nfs/dbraw/zinc/97/13/89/556971389.db2.gz BIABYYWZKPUMRR-XMHGGMMESA-N -1 0 435.549 3.280 40 10 IGCBRM COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2C)C1=O ZINC000409139359 556971405 /nfs/dbraw/zinc/97/14/05/556971405.db2.gz NDOULOUBXQNMTP-OQLLNIDSSA-N -1 0 426.494 3.161 40 10 IGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1OCC ZINC000409169296 556983475 /nfs/dbraw/zinc/98/34/75/556983475.db2.gz WWAIBKVXMMGXNW-NTCAYCPXSA-N -1 0 426.494 3.324 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409188577 556988712 /nfs/dbraw/zinc/98/87/12/556988712.db2.gz DUJFKEUBGZQFRT-XDHOZWIPSA-N -1 0 446.488 3.019 40 10 IGCBRM COc1cccc(N2C(=O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C(=O)[N-]C2=S)c1 ZINC000409197642 556994964 /nfs/dbraw/zinc/99/49/64/556994964.db2.gz LEXJIKFICHESDA-YBCYLVPRSA-N -1 0 439.537 3.124 40 10 IGCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409215677 557010468 /nfs/dbraw/zinc/01/04/68/557010468.db2.gz DHYSECMKJBRQIL-LFIBNONCSA-N -1 0 425.397 3.059 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409230575 557022364 /nfs/dbraw/zinc/02/23/64/557022364.db2.gz ZNLBCEYGSRHVAD-VXLYETTFSA-N -1 0 431.408 3.064 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409244958 557027090 /nfs/dbraw/zinc/02/70/90/557027090.db2.gz LFFZSAAJSLTQAL-YBFXNURJSA-N -1 0 445.435 3.372 40 10 IGCBRM C=CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000033458076 569259365 /nfs/dbraw/zinc/25/93/65/569259365.db2.gz HVDRGUZFFSVOJP-GDNBJRDFSA-N -1 0 444.241 3.384 40 10 IGCBRM N#CCOc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033621589 569259474 /nfs/dbraw/zinc/25/94/74/569259474.db2.gz CFOPLGOKTXFSNV-ZROIWOOFSA-N -1 0 432.661 3.466 40 10 IGCBRM O=C(COc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)Nc1ccccc1F ZINC000033749205 569259720 /nfs/dbraw/zinc/25/97/20/569259720.db2.gz JIAQCCQLUDBHRK-JXAWBTAJSA-N -1 0 431.423 3.305 40 10 IGCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNNc1ccc(Br)cc1 ZINC000016398888 527046191 /nfs/dbraw/zinc/04/61/91/527046191.db2.gz WJHHAIAJQSKUMH-ZROIWOOFSA-N -1 0 435.665 3.390 40 10 IGCBRM COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1Cl ZINC000408532198 555740528 /nfs/dbraw/zinc/74/05/28/555740528.db2.gz PXHJBTJDIGKVPD-FMIVXFBMSA-N -1 0 434.235 3.359 40 10 IGCBRM COc1cc(Br)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O ZINC000408533540 555746950 /nfs/dbraw/zinc/74/69/50/555746950.db2.gz SXOVWQRLXDXYPK-ZRDIBKRKSA-N -1 0 446.257 3.045 40 10 IGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C(=O)N3CCCCC3)cc2)C1=O ZINC000408535990 555757744 /nfs/dbraw/zinc/75/77/44/555757744.db2.gz VBZVCGBLZSFJNX-CAPFRKAQSA-N -1 0 446.507 3.454 40 10 IGCBRM CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)c2ccccc21 ZINC000008821624 556223314 /nfs/dbraw/zinc/22/33/14/556223314.db2.gz VJAIUMBADVFXSN-MSUUIHNZSA-N -1 0 438.486 3.362 40 10 IGCBRM COc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC 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/nfs/dbraw/zinc/87/81/76/556878176.db2.gz LPROVIVYWUMZGA-UHFFFAOYSA-N -1 0 447.260 3.327 40 10 IGCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408955257 556899136 /nfs/dbraw/zinc/89/91/36/556899136.db2.gz UBEUNKHPVNOVHN-YBEGLDIGSA-N -1 0 447.359 3.250 40 10 IGCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OC ZINC000408989232 556912188 /nfs/dbraw/zinc/91/21/88/556912188.db2.gz SQSGOTWPDHSSKH-AUWJEWJLSA-N -1 0 430.844 3.341 40 10 IGCBRM CCN1C(=O)C(=Cc2cc(C)n(-c3ccccc3C(=O)[O-])c2C)C(=O)N(CC)C1=S ZINC000409200061 556999511 /nfs/dbraw/zinc/99/95/11/556999511.db2.gz GETJLDAGTVIVST-UHFFFAOYSA-N -1 0 425.510 3.171 40 10 IGCBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1 ZINC000409239158 557020347 /nfs/dbraw/zinc/02/03/47/557020347.db2.gz GSHNUWZOSPIYEO-GXDHUFHOSA-N -1 0 430.844 3.341 40 10 IGCBRM COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)[O-] ZINC000016915080 557475908 /nfs/dbraw/zinc/47/59/08/557475908.db2.gz WMBMFWSCQYIOHA-REZTVBANSA-N -1 0 445.474 3.293 40 10 IGCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223579380 557488197 /nfs/dbraw/zinc/48/81/97/557488197.db2.gz APLFKMZLFCUNQG-LEWJYISDSA-N -1 0 436.537 3.152 40 10 IGCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223579317 557488215 /nfs/dbraw/zinc/48/82/15/557488215.db2.gz APLFKMZLFCUNQG-RTWAWAEBSA-N -1 0 436.537 3.152 40 10 IGCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223579443 557488364 /nfs/dbraw/zinc/48/83/64/557488364.db2.gz APLFKMZLFCUNQG-SFTDATJTSA-N -1 0 436.537 3.152 40 10 IGCBRM COC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000256055688 568663529 /nfs/dbraw/zinc/66/35/29/568663529.db2.gz PTZJATMGYWVOGH-ZROIWOOFSA-N -1 0 434.495 3.029 40 10 IGCBRM CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000107654065 569250804 /nfs/dbraw/zinc/25/08/04/569250804.db2.gz ADQRPVHZURQKST-CIAFOILYSA-N -1 0 446.463 3.308 40 10 IGCBRM CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000109046567 569253602 /nfs/dbraw/zinc/25/36/02/569253602.db2.gz CTGNXPAKDMXMCU-UVTDQMKNSA-N -1 0 447.875 3.400 40 10 IGCBRM N#CCOc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000035404762 569260222 /nfs/dbraw/zinc/26/02/22/569260222.db2.gz XVLHUIUEKYGHGR-JYRVWZFOSA-N -1 0 432.661 3.466 40 10 IGCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OC(=O)c2ccco2)C1=O ZINC000408535325 555761791 /nfs/dbraw/zinc/76/17/91/555761791.db2.gz NPVLPHRSEAHEHW-SQFISAMPSA-N -1 0 432.388 3.174 40 10 IGCBRM O=C1NC(=S)S/C1=C/c1cc(Br)c([O-])c(I)c1 ZINC000408738250 556199975 /nfs/dbraw/zinc/19/99/75/556199975.db2.gz SRXGALMCKZAICT-XVNBXDOJSA-N -1 0 442.097 3.248 40 10 IGCBRM COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCCCC(=O)[O-])C2=O)cc1 ZINC000008870093 556228935 /nfs/dbraw/zinc/22/89/35/556228935.db2.gz FTZUJSRHPLASOF-DTQAZKPQSA-N -1 0 436.555 3.048 40 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ZINC000409000023 556914060 /nfs/dbraw/zinc/91/40/60/556914060.db2.gz WPDNTAXKUOQRPI-MOSHPQCFSA-N -1 0 445.479 3.136 40 10 IGCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(F)c2)C1=O ZINC000409022572 556923011 /nfs/dbraw/zinc/92/30/11/556923011.db2.gz XFRQIIYFRHYTEG-RIYZIHGNSA-N -1 0 435.274 3.428 40 10 IGCBRM Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000409069542 556944310 /nfs/dbraw/zinc/94/43/10/556944310.db2.gz LJLDVPNUTQQJPG-XDHOZWIPSA-N -1 0 425.872 3.151 40 10 IGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c(OCC)c1 ZINC000409169332 556983419 /nfs/dbraw/zinc/98/34/19/556983419.db2.gz XNBAWWRPXCOJDL-FOWTUZBSSA-N -1 0 426.494 3.324 40 10 IGCBRM COc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C1=O)OCO2 ZINC000409235577 557026381 /nfs/dbraw/zinc/02/63/81/557026381.db2.gz CIYVYBXAFFULNL-WLRTZDKTSA-N -1 0 430.869 3.217 40 10 IGCBRM COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409340320 557067977 /nfs/dbraw/zinc/06/79/77/557067977.db2.gz UZYAAZHTFBSLQS-GIDUJCDVSA-N -1 0 432.435 3.444 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409391087 557095562 /nfs/dbraw/zinc/09/55/62/557095562.db2.gz GYPWWJBFDQJRMS-KGENOOAVSA-N -1 0 429.480 3.222 40 10 IGCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223579131 557488176 /nfs/dbraw/zinc/48/81/76/557488176.db2.gz LEVFJKSSCCJWME-LEWJYISDSA-N -1 0 436.537 3.152 40 10 IGCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O ZINC000108923585 569253135 /nfs/dbraw/zinc/25/31/35/569253135.db2.gz BZOJCAAGTZDWRT-YBEGLDIGSA-N -1 0 428.828 3.330 40 10 IGCBRM Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033702468 569259627 /nfs/dbraw/zinc/25/96/27/569259627.db2.gz IEPYHMMLXBWUSY-HKWRFOASSA-N -1 0 427.460 3.474 40 10 IGCBRM CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000033728807 569259799 /nfs/dbraw/zinc/25/97/99/569259799.db2.gz 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Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223579025 557488217 /nfs/dbraw/zinc/48/82/17/557488217.db2.gz LEVFJKSSCCJWME-NHCUHLMSSA-N -1 0 436.537 3.152 40 10 IGCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000107848529 569251470 /nfs/dbraw/zinc/25/14/70/569251470.db2.gz ZKRJHFRZGAKPBZ-MHWRWJLKSA-N -1 0 426.494 3.106 40 10 IGCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccc([N+](=O)[O-])cn2)c2ccccc12 ZINC000033388480 569259243 /nfs/dbraw/zinc/25/92/43/569259243.db2.gz LMJLJWWEAYSYSQ-UNOMPAQXSA-N -1 0 425.404 3.395 40 10 IGCBRM O=C(COc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)Nc1cccc(F)c1 ZINC000033730079 569259761 /nfs/dbraw/zinc/25/97/61/569259761.db2.gz GOBUOFHBDQYJCI-MOSHPQCFSA-N -1 0 431.423 3.305 40 10 IGCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1)Nc1cccc(F)c1 ZINC000035128730 569260230 /nfs/dbraw/zinc/26/02/30/569260230.db2.gz WNUGYVNNQXCSEZ-BKUYFWCQSA-N -1 0 431.423 3.305 40 10 IGCBRM 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Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1 ZINC000409226554 557014282 /nfs/dbraw/zinc/01/42/82/557014282.db2.gz UNOBRUGIQPYVII-UHFFFAOYSA-N -1 0 448.262 3.069 40 10 IGCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(OC)c1OC ZINC000409339155 557074303 /nfs/dbraw/zinc/07/43/03/557074303.db2.gz SIWBNVRIXQGWOD-NTEUORMPSA-N -1 0 436.536 3.320 40 10 IGCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OC)cc(OC)cc3OC)C(=O)[N-]C2=S)cc1 ZINC000409375531 557087226 /nfs/dbraw/zinc/08/72/26/557087226.db2.gz MFHRPLBZRNPVJD-SFQUDFHCSA-N -1 0 426.494 3.106 40 10 IGCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409407645 557107296 /nfs/dbraw/zinc/10/72/96/557107296.db2.gz NGPIATDZNAEAPL-BOPFTXTBSA-N -1 0 432.392 3.252 40 10 IGCBRM CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OC ZINC000013343721 557306660 /nfs/dbraw/zinc/30/66/60/557306660.db2.gz MSMMNUSQYBNHKQ-WDZFZDKYSA-N -1 0 432.317 3.142 40 10 IGCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223579256 557488193 /nfs/dbraw/zinc/48/81/93/557488193.db2.gz APLFKMZLFCUNQG-NHCUHLMSSA-N -1 0 436.537 3.152 40 10 IGCBRM Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CN(C(=O)c4c[n-]n5c4nc(C)cc5=O)C3)CO[C@H]21 ZINC000257234796 568681271 /nfs/dbraw/zinc/68/12/71/568681271.db2.gz GVCVUNYBIDCPJD-GHTZIAJQSA-N -1 0 448.523 3.443 40 10 IGCBRM O=C(Oc1ccccc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O)c1ccc2c(c1)OCO2 ZINC000033721358 569259740 /nfs/dbraw/zinc/25/97/40/569259740.db2.gz VRMQOGDEOHXENM-LDADJPATSA-N -1 0 428.400 3.096 40 10 IGCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000035128734 569260163 /nfs/dbraw/zinc/26/01/63/569260163.db2.gz MNZWLXZZPBGHKB-STZFKDTASA-N -1 0 431.423 3.305 40 10 IGCBRM O=C(Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)c1ccccc1 ZINC000109122674 569261087 /nfs/dbraw/zinc/26/10/87/569261087.db2.gz IXFRTQGWLYTHMM-RGEXLXHISA-N -1 0 429.388 3.275 40 10 IGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=S)Nc3cccc4ccccc43)C2=O)cc1 ZINC000408527498 555717797 /nfs/dbraw/zinc/71/77/97/555717797.db2.gz DPGBTQGLBJLQNZ-AQTBWJFISA-N -1 0 446.488 3.302 40 10 IGCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(C2CCCC2)C1=O)Nc1ccccc1 ZINC000408695153 556097363 /nfs/dbraw/zinc/09/73/63/556097363.db2.gz QYYKIBWZOLZTPT-XMHGGMMESA-N -1 0 433.464 3.109 40 10 IGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000408742509 556216166 /nfs/dbraw/zinc/21/61/66/556216166.db2.gz RJKKXTPINRKLHZ-RIYZIHGNSA-N -1 0 447.310 3.298 40 10 IGCBRM O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)c(Br)c2)C(=O)N1 ZINC000408806870 556859043 /nfs/dbraw/zinc/85/90/43/556859043.db2.gz CBDRQVBZQLKOSJ-UHFFFAOYSA-N -1 0 435.661 3.431 40 10 IGCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000408945087 556897420 /nfs/dbraw/zinc/89/74/20/556897420.db2.gz VVBGRPJIEXDHAB-RIYZIHGNSA-N -1 0 445.815 3.322 40 10 IGCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408956431 556900296 /nfs/dbraw/zinc/90/02/96/556900296.db2.gz WSQVIUJYHAWESE-GDNBJRDFSA-N -1 0 447.359 3.250 40 10 IGCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)[N-]C2=S)c1C ZINC000409093891 556949819 /nfs/dbraw/zinc/94/98/19/556949819.db2.gz BMLDUILBQSOKIS-XSFVSMFZSA-N -1 0 435.549 3.280 40 10 IGCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000409099371 556954575 /nfs/dbraw/zinc/95/45/75/556954575.db2.gz QSQMPEWFEBAHDB-NTCAYCPXSA-N -1 0 446.290 3.496 40 10 IGCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)c2C)c(C)c1 ZINC000409130024 556967247 /nfs/dbraw/zinc/96/72/47/556967247.db2.gz IBEXLVZFZLZMTR-RQZCQDPDSA-N -1 0 428.466 3.310 40 10 IGCBRM CN(C)c1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000006160660 557128397 /nfs/dbraw/zinc/12/83/97/557128397.db2.gz OPRNKVGFEOBUFJ-CPUCHLNUSA-N -1 0 429.489 3.083 40 10 IGCBRM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)s1 ZINC000223463754 557474836 /nfs/dbraw/zinc/47/48/36/557474836.db2.gz XZBDLEKKPPKSCF-UHFFFAOYSA-N -1 0 430.511 3.164 40 10 IGCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223579081 557488221 /nfs/dbraw/zinc/48/82/21/557488221.db2.gz LEVFJKSSCCJWME-RTWAWAEBSA-N -1 0 436.537 3.152 40 10 IGCBRM COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)o2)c1 ZINC000107787524 569251171 /nfs/dbraw/zinc/25/11/71/569251171.db2.gz GFIKWIYFDLXGRQ-WOJGMQOQSA-N -1 0 434.404 3.297 40 10 IGCBRM COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000033793071 569259908 /nfs/dbraw/zinc/25/99/08/569259908.db2.gz VBKMWZVYKYKKOO-ATVHPVEESA-N -1 0 432.392 3.252 40 10 IGCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2C)c1 ZINC000408691976 556094183 /nfs/dbraw/zinc/09/41/83/556094183.db2.gz AGIPCQGWYZRXBI-DEDYPNTBSA-N -1 0 435.480 3.285 40 10 IGCBRM C[C@@H]1Cc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)ccc2O1 ZINC000408710902 556118379 /nfs/dbraw/zinc/11/83/79/556118379.db2.gz VQAVAIHNYSVFJH-HPUUJOOBSA-N -1 0 427.254 3.439 40 10 IGCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] ZINC000408740795 556212980 /nfs/dbraw/zinc/21/29/80/556212980.db2.gz IDFKTIKEVXGTPR-MDWZMJQESA-N -1 0 432.255 3.189 40 10 IGCBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)C1=O ZINC000008870201 556229323 /nfs/dbraw/zinc/22/93/23/556229323.db2.gz ARTYIAJULXOKLB-VNYQUTNRSA-N -1 0 432.567 3.450 40 10 IGCBRM CC(C)C[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000012032601 556389216 /nfs/dbraw/zinc/38/92/16/556389216.db2.gz IXEPFFXVFWQURN-QIAMAEBCSA-N -1 0 432.567 3.450 40 10 IGCBRM CCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)[O-])cc2Br)SC1=S ZINC000013915328 556661818 /nfs/dbraw/zinc/66/18/18/556661818.db2.gz WYPPTOKKOUFWFE-LFYBBSHMSA-N -1 0 432.317 3.142 40 10 IGCBRM Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(N(C)C)o3)C(=O)[N-]C2=S)c1 ZINC000408851926 556869726 /nfs/dbraw/zinc/86/97/26/556869726.db2.gz BSGKCZUFFZTBDN-MDWZMJQESA-N -1 0 434.315 3.248 40 10 IGCBRM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)c1 ZINC000408951052 556897823 /nfs/dbraw/zinc/89/78/23/556897823.db2.gz HPXKHBAQHNINOT-WOJGMQOQSA-N -1 0 429.432 3.489 40 10 IGCBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O ZINC000409091898 556952061 /nfs/dbraw/zinc/95/20/61/556952061.db2.gz VPHDIVGDRPSSPI-LICLKQGHSA-N -1 0 439.443 3.110 40 10 IGCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000409098752 556954347 /nfs/dbraw/zinc/95/43/47/556954347.db2.gz PDXZNPKLBDOZOI-LFIBNONCSA-N -1 0 446.290 3.496 40 10 IGCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)cc1 ZINC000409105496 556958593 /nfs/dbraw/zinc/95/85/93/556958593.db2.gz IAGIKIUPFZWMPJ-SFQUDFHCSA-N -1 0 425.485 3.266 40 10 IGCBRM CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)[N-]C1=S ZINC000409136437 556969682 /nfs/dbraw/zinc/96/96/82/556969682.db2.gz TUKPUVLHOFKVOA-GHRIWEEISA-N -1 0 439.512 3.056 40 10 IGCBRM COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)[O-] ZINC000409329784 557064120 /nfs/dbraw/zinc/06/41/20/557064120.db2.gz HYNUKBOUKOPOEB-PXNMLYILSA-N -1 0 446.462 3.473 40 10 IGCBRM CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)o2)cc1 ZINC000409390405 557095125 /nfs/dbraw/zinc/09/51/25/557095125.db2.gz FGNYHLUFUYSCPN-QGOAFFKASA-N -1 0 431.404 3.185 40 10 IGCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2)cc1 ZINC000409406507 557106722 /nfs/dbraw/zinc/10/67/22/557106722.db2.gz KGGGMRICJISVLU-JCMHNJIXSA-N -1 0 427.460 3.474 40 10 IGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)cc1C ZINC000059336689 557822168 /nfs/dbraw/zinc/82/21/68/557822168.db2.gz PNAHURSTOWSUCP-NSIKDUERSA-N -1 0 443.253 3.461 40 10 IGCBRM Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408754867 556237594 /nfs/dbraw/zinc/23/75/94/556237594.db2.gz ABTWIBFXISJODE-XDHOZWIPSA-N -1 0 445.435 3.372 40 10 IGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OC(C)C)c1 ZINC000408807121 556859238 /nfs/dbraw/zinc/85/92/38/556859238.db2.gz KHUHVZVUWDCQQN-RQZCQDPDSA-N -1 0 425.397 3.057 40 10 IGCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1OC ZINC000408848388 556869559 /nfs/dbraw/zinc/86/95/59/556869559.db2.gz YLOOPABXRAQMKC-RIYZIHGNSA-N -1 0 449.232 3.272 40 10 IGCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)[N-]C2=S)cc1 ZINC000409104017 556952570 /nfs/dbraw/zinc/95/25/70/556952570.db2.gz YDSKXKVYLMXTKI-RCCKNPSSSA-N -1 0 435.549 3.225 40 10 IGCBRM CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2OC)C1=O ZINC000409106580 556958892 /nfs/dbraw/zinc/95/88/92/556958892.db2.gz OCVIEXWPJKLSLK-XNTDXEJSSA-N -1 0 430.844 3.422 40 10 IGCBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1 ZINC000409145766 556976954 /nfs/dbraw/zinc/97/69/54/556976954.db2.gz QXZVAQRXSIASCZ-LFIBNONCSA-N -1 0 426.494 3.161 40 10 IGCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)cc1 ZINC000409240824 557021967 /nfs/dbraw/zinc/02/19/67/557021967.db2.gz IHKIBXLFXISMDB-QGOAFFKASA-N -1 0 425.510 3.071 40 10 IGCBRM CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)o2)cc1 ZINC000409232401 557024329 /nfs/dbraw/zinc/02/43/29/557024329.db2.gz OSUMINKXTXCBJR-LDADJPATSA-N -1 0 431.404 3.185 40 10 IGCBRM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000100524784 557114710 /nfs/dbraw/zinc/11/47/10/557114710.db2.gz WYSODDOJKIHKLH-AWZKZOKMSA-N -1 0 440.510 3.333 40 10 IGCBRM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(N(C)C)cc3)C2)c1 ZINC000095532119 557157937 /nfs/dbraw/zinc/15/79/37/557157937.db2.gz LMWSTWCRFSUKLP-OAQYLSRUSA-N -1 0 425.485 3.312 40 10 IGCBRM O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000102727691 557306524 /nfs/dbraw/zinc/30/65/24/557306524.db2.gz JMDDMDNVALBVJJ-BOPFTXTBSA-N -1 0 430.532 3.100 40 10 IGCBRM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000222890926 557399055 /nfs/dbraw/zinc/39/90/55/557399055.db2.gz NKKYZNVNOHSYBW-AWEZNQCLSA-N -1 0 437.591 3.162 40 10 IGCBRM CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000059135203 557815025 /nfs/dbraw/zinc/81/50/25/557815025.db2.gz CINKBQMUJMPAAW-MHWRWJLKSA-N -1 0 442.399 3.283 40 10 IGCBRM O=C(Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-])c1ccccc1 ZINC000033670883 569259621 /nfs/dbraw/zinc/25/96/21/569259621.db2.gz APRRSHBNUXEUMB-JXAWBTAJSA-N -1 0 429.388 3.275 40 10 IGCBRM CC(=O)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033864275 569259934 /nfs/dbraw/zinc/25/99/34/569259934.db2.gz ICPVUHXMBYGEOQ-ZSOIEALJSA-N -1 0 435.661 3.489 40 10 IGCBRM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000033793072 569259970 /nfs/dbraw/zinc/25/99/70/569259970.db2.gz VBKMWZVYKYKKOO-SFQUDFHCSA-N -1 0 432.392 3.252 40 10 IGCBRM CCn1c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4C)C3=O)cc2n(CC)c1=O ZINC000408527188 555716975 /nfs/dbraw/zinc/71/69/75/555716975.db2.gz FJAKEOZMLPHHNL-GHRIWEEISA-N -1 0 447.495 3.038 40 10 IGCBRM Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNCCc3ccccc3)C2=O)ccc1Br ZINC000408532317 555741414 /nfs/dbraw/zinc/74/14/14/555741414.db2.gz QGIAPBTURGCIEV-FOWTUZBSSA-N -1 0 442.313 3.365 40 10 IGCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000408534357 555750793 /nfs/dbraw/zinc/75/07/93/555750793.db2.gz QOYARWGWHVUQPV-NTEUORMPSA-N -1 0 445.229 3.245 40 10 IGCBRM Cc1ccc(N2C(=O)/C(=C/c3ccccc3I)C(=O)[N-]C2=S)cc1 ZINC000408553528 555869341 /nfs/dbraw/zinc/86/93/41/555869341.db2.gz ZUZUKIDIXBNHAN-GXDHUFHOSA-N -1 0 448.285 3.431 40 10 IGCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Br)C(=O)N1 ZINC000408879739 556875999 /nfs/dbraw/zinc/87/59/99/556875999.db2.gz FDWFAPDEVFJWPV-UHFFFAOYSA-N -1 0 435.661 3.431 40 10 IGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(O)c1 ZINC000408894351 556880408 /nfs/dbraw/zinc/88/04/08/556880408.db2.gz CEQYMLDJIVVEAF-ZSOIEALJSA-N -1 0 431.242 3.138 40 10 IGCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1OC ZINC000408913601 556889362 /nfs/dbraw/zinc/88/93/62/556889362.db2.gz MIYQKZQFIGOYSQ-VGOFMYFVSA-N -1 0 449.232 3.272 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000408947381 556898312 /nfs/dbraw/zinc/89/83/12/556898312.db2.gz CHDWSOCVQAFQIC-GIJQJNRQSA-N -1 0 444.447 3.193 40 10 IGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)cc3Br)C2=O)cc1 ZINC000408982513 556907954 /nfs/dbraw/zinc/90/79/54/556907954.db2.gz HLXWBTYNFRDMOI-ZSOIEALJSA-N -1 0 445.269 3.392 40 10 IGCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000409042270 556929431 /nfs/dbraw/zinc/92/94/31/556929431.db2.gz MBPZHYWARDPSEL-HMMYKYKNSA-N -1 0 441.443 3.371 40 10 IGCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)[N-]C2=S)cc1C ZINC000409090600 556951633 /nfs/dbraw/zinc/95/16/33/556951633.db2.gz RNKVZGWKKJIRHN-KGENOOAVSA-N -1 0 435.549 3.280 40 10 IGCBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000409101363 556955790 /nfs/dbraw/zinc/95/57/90/556955790.db2.gz XXJCNLIPXDXUTA-LDADJPATSA-N -1 0 435.480 3.279 40 10 IGCBRM COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)[N-]C1=S ZINC000409174043 556984795 /nfs/dbraw/zinc/98/47/95/556984795.db2.gz QNHUATKVPBUPQD-NTCAYCPXSA-N -1 0 425.485 3.266 40 10 IGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1C ZINC000409186605 556991147 /nfs/dbraw/zinc/99/11/47/556991147.db2.gz FLLVPABZPHSOQT-XDHOZWIPSA-N -1 0 436.464 3.300 40 10 IGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)cc1 ZINC000409198336 556995446 /nfs/dbraw/zinc/99/54/46/556995446.db2.gz CUQUGLJHSBGGKX-TTYLXTBDSA-N -1 0 437.496 3.349 40 10 IGCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409199759 556998954 /nfs/dbraw/zinc/99/89/54/556998954.db2.gz DGDFBKSOZYHSSV-KGENOOAVSA-N -1 0 442.475 3.464 40 10 IGCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409213585 557008168 /nfs/dbraw/zinc/00/81/68/557008168.db2.gz UWOMHLYGYDYINF-XSFVSMFZSA-N -1 0 442.475 3.464 40 10 IGCBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(OC)c1 ZINC000409229925 557013972 /nfs/dbraw/zinc/01/39/72/557013972.db2.gz AYSXDVADGSFIMX-JLHYYAGUSA-N -1 0 432.885 3.197 40 10 IGCBRM COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)[O-] ZINC000409339310 557074582 /nfs/dbraw/zinc/07/45/82/557074582.db2.gz TYQGSSRCGQUZGX-SXGWCWSVSA-N -1 0 446.462 3.473 40 10 IGCBRM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(S(N)(=O)=O)cc1 ZINC000103919090 557140780 /nfs/dbraw/zinc/14/07/80/557140780.db2.gz RHURLANDHUBRFY-UYRXBGFRSA-N -1 0 443.485 3.131 40 10 IGCBRM C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000033536896 557408449 /nfs/dbraw/zinc/40/84/49/557408449.db2.gz GQBHOXAXOWXNQF-NJMOLFHQSA-N -1 0 438.958 3.395 40 10 IGCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223579687 557488330 /nfs/dbraw/zinc/48/83/30/557488330.db2.gz USTSDYZFNMONKL-SFTDATJTSA-N -1 0 436.537 3.152 40 10 IGCBRM CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1 ZINC000224330916 557592788 /nfs/dbraw/zinc/59/27/88/557592788.db2.gz OEXWLSBGCFVXJG-ZIAGYGMSSA-N -1 0 437.591 3.162 40 10 IGCBRM O=C([O-])CCN1C(=O)/C(=C/c2cc3cc4c(cc3nc2Cl)OCCO4)SC1=S ZINC000256055476 568663232 /nfs/dbraw/zinc/66/32/32/568663232.db2.gz IEKMFVCKFVWIHN-AUWJEWJLSA-N -1 0 436.898 3.335 40 10 IGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)N4CCCCC4)cc3)C2=O)cc1 ZINC000013381982 132346865 /nfs/dbraw/zinc/34/68/65/132346865.db2.gz KVQDZNMWTYNTQN-HKWRFOASSA-N -1 0 432.480 3.200 40 10 IGCBRM CCN(CC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408526785 555716004 /nfs/dbraw/zinc/71/60/04/555716004.db2.gz CLLPVSYYPITHJG-DTQAZKPQSA-N -1 0 440.887 3.401 40 10 IGCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408529377 555723282 /nfs/dbraw/zinc/72/32/82/555723282.db2.gz JIIZTYZROPJGJD-KAMYIIQDSA-N -1 0 440.301 3.358 40 10 IGCBRM COC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408549971 555831006 /nfs/dbraw/zinc/83/10/06/555831006.db2.gz CHMHZSLCQGTEQK-LCYFTJDESA-N -1 0 433.848 3.009 40 10 IGCBRM O=C(COc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000035352219 556080959 /nfs/dbraw/zinc/08/09/59/556080959.db2.gz PCUNCGRVKZORNB-ZHZULCJRSA-N -1 0 431.423 3.305 40 10 IGCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC ZINC000408692792 556092409 /nfs/dbraw/zinc/09/24/09/556092409.db2.gz VNMGZXVYXOSUEE-MDWZMJQESA-N -1 0 437.290 3.261 40 10 IGCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)cc2)cc1 ZINC000408695397 556097738 /nfs/dbraw/zinc/09/77/38/556097738.db2.gz TXVWSYJBYDUVHO-KGENOOAVSA-N -1 0 447.491 3.417 40 10 IGCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c(OC)cc1Cl ZINC000408785832 556855842 /nfs/dbraw/zinc/85/58/42/556855842.db2.gz ZTNRLLHBUGWPCH-NTEUORMPSA-N -1 0 429.860 3.090 40 10 IGCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408802312 556859464 /nfs/dbraw/zinc/85/94/64/556859464.db2.gz YYLMJWDVYOFTHM-VGOFMYFVSA-N -1 0 445.815 3.322 40 10 IGCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408804742 556860457 /nfs/dbraw/zinc/86/04/57/556860457.db2.gz HBIJSYUVTZAXEY-OQLLNIDSSA-N -1 0 430.844 3.422 40 10 IGCBRM CCOC(=O)Cn1c(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408817694 556864272 /nfs/dbraw/zinc/86/42/72/556864272.db2.gz WVZZKTHGZOOIKT-CPNJWEJPSA-N -1 0 431.448 3.179 40 10 IGCBRM COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)cc1 ZINC000408952155 556898287 /nfs/dbraw/zinc/89/82/87/556898287.db2.gz KNWRUIFAYDGHPM-RCCKNPSSSA-N -1 0 446.532 3.383 40 10 IGCBRM COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C1=O)OCO2 ZINC000409069610 556944257 /nfs/dbraw/zinc/94/42/57/556944257.db2.gz LYCRXHPOFQVNPP-WCIBSUBMSA-N -1 0 435.219 3.397 40 10 IGCBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000409100073 556954968 /nfs/dbraw/zinc/95/49/68/556954968.db2.gz PQLYUSVRVFDIEA-LDADJPATSA-N -1 0 435.480 3.279 40 10 IGCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)[N-]C2=S)cc1 ZINC000409142429 556972781 /nfs/dbraw/zinc/97/27/81/556972781.db2.gz LJYBBPJPVHUBCV-QGOAFFKASA-N -1 0 439.512 3.056 40 10 IGCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)[N-]C2=S)c1 ZINC000409187342 556988127 /nfs/dbraw/zinc/98/81/27/556988127.db2.gz PDECBJGWOZBLPP-XDHOZWIPSA-N -1 0 438.505 3.157 40 10 IGCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2C)cc1 ZINC000409207270 556996477 /nfs/dbraw/zinc/99/64/77/556996477.db2.gz QTOKKYUKWASVSL-MOSHPQCFSA-N -1 0 435.480 3.285 40 10 IGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409222630 557017451 /nfs/dbraw/zinc/01/74/51/557017451.db2.gz COCZJXJOYDANSA-VXLYETTFSA-N -1 0 445.435 3.372 40 10 IGCBRM CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccccc3Cl)C1=O)OCO2 ZINC000409240718 557021641 /nfs/dbraw/zinc/02/16/41/557021641.db2.gz PNWKMXAIMXSVBI-KPKJPENVSA-N -1 0 430.869 3.299 40 10 IGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3OC)C2=O)cc1 ZINC000409254330 557034156 /nfs/dbraw/zinc/03/41/56/557034156.db2.gz WVRWHRYFLVLRTC-XSFVSMFZSA-N -1 0 435.480 3.361 40 10 IGCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OC(C)=O ZINC000409342805 557070329 /nfs/dbraw/zinc/07/03/29/557070329.db2.gz FMFXMNIDFAZEGS-DHDCSXOGSA-N -1 0 434.520 3.228 40 10 IGCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000409394038 557098094 /nfs/dbraw/zinc/09/80/94/557098094.db2.gz USDJJHBFGKZHGV-SFQUDFHCSA-N -1 0 437.253 3.301 40 10 IGCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000409405857 557106273 /nfs/dbraw/zinc/10/62/73/557106273.db2.gz IIYTVOXAASUOER-QNGOZBTKSA-N -1 0 427.460 3.474 40 10 IGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1C ZINC000100101818 557240472 /nfs/dbraw/zinc/24/04/72/557240472.db2.gz IQEMFRBMRQXFRO-UNOMPAQXSA-N -1 0 436.512 3.038 40 10 IGCBRM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000222891003 557399065 /nfs/dbraw/zinc/39/90/65/557399065.db2.gz NKKYZNVNOHSYBW-CQSZACIVSA-N -1 0 437.591 3.162 40 10 IGCBRM CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000059136015 557815523 /nfs/dbraw/zinc/81/55/23/557815523.db2.gz HNGKQEXAMOQNJD-RVDMUPIBSA-N -1 0 428.441 3.439 40 10 IGCBRM CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1 ZINC000260843152 557861617 /nfs/dbraw/zinc/86/16/17/557861617.db2.gz OEXWLSBGCFVXJG-KBPBESRZSA-N -1 0 437.591 3.162 40 10 IGCBRM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000054360685 568940497 /nfs/dbraw/zinc/94/04/97/568940497.db2.gz GQBHOXAXOWXNQF-BNBULKTBSA-N -1 0 438.958 3.395 40 10 IGCBRM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000016922135 569166408 /nfs/dbraw/zinc/16/64/08/569166408.db2.gz OUKFZUWFGBZRRA-CHHVJCJISA-N -1 0 432.454 3.069 40 10 IGCBRM Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000033783608 569259860 /nfs/dbraw/zinc/25/98/60/569259860.db2.gz RIEVLYTVIUYBMC-QNGOZBTKSA-N -1 0 427.460 3.474 40 10 IGCBRM CC(=O)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000034909767 569260096 /nfs/dbraw/zinc/26/00/96/569260096.db2.gz VIAYLLJMBDUDJN-QPEQYQDCSA-N -1 0 435.661 3.489 40 10 IGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408528202 555725090 /nfs/dbraw/zinc/72/50/90/555725090.db2.gz FOMYLFKFTQTMRW-GXDHUFHOSA-N -1 0 430.804 3.226 40 10 IGCBRM CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408532517 555728723 /nfs/dbraw/zinc/72/87/23/555728723.db2.gz IHVGNLQYLSRUTR-YBEGLDIGSA-N -1 0 443.253 3.349 40 10 IGCBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNNc2ccccc2)C1=O ZINC000408531523 555733412 /nfs/dbraw/zinc/73/34/12/555733412.db2.gz KQDKNUOIWAFSJE-RVDMUPIBSA-N -1 0 429.274 3.095 40 10 IGCBRM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000408536679 555773915 /nfs/dbraw/zinc/77/39/15/555773915.db2.gz XGMOPFLUAVNZLZ-RVDMUPIBSA-N -1 0 447.363 3.235 40 10 IGCBRM COc1ccc(OC)c(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000408552409 555879141 /nfs/dbraw/zinc/87/91/41/555879141.db2.gz SZBKVECMFDRRSA-XFXZXTDPSA-N -1 0 435.864 3.240 40 10 IGCBRM O=C([O-])c1cc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)ccc1O ZINC000008820412 556220434 /nfs/dbraw/zinc/22/04/34/556220434.db2.gz GJAHYWBRRGNEOG-GUSDSWBTSA-N -1 0 440.502 3.487 40 10 IGCBRM CCCOc1c(OC)cc(/C=C2/C(=O)[N-]N(c3ccc(CC)cc3)C2=O)cc1[N+](=O)[O-] ZINC000032099530 556528792 /nfs/dbraw/zinc/52/87/92/556528792.db2.gz CWNKKIDAIAMFOO-BOPFTXTBSA-N -1 0 425.441 3.416 40 10 IGCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000408797179 556857636 /nfs/dbraw/zinc/85/76/36/556857636.db2.gz BONGRKMLSKCJSF-CXUHLZMHSA-N -1 0 425.397 3.057 40 10 IGCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000408809625 556861772 /nfs/dbraw/zinc/86/17/72/556861772.db2.gz IAQNRWCGWYWFIP-XNTDXEJSSA-N -1 0 428.828 3.192 40 10 IGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000408834676 556866992 /nfs/dbraw/zinc/86/69/92/556866992.db2.gz UYXADHQOVJFSBB-UKTHLTGXSA-N -1 0 430.844 3.422 40 10 IGCBRM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408842771 556868112 /nfs/dbraw/zinc/86/81/12/556868112.db2.gz BFDQYFIFBGGNCL-NTEUORMPSA-N -1 0 432.249 3.321 40 10 IGCBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1O ZINC000408915570 556890296 /nfs/dbraw/zinc/89/02/96/556890296.db2.gz YBSNEKWODMRRPB-VGOFMYFVSA-N -1 0 449.232 3.359 40 10 IGCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)[N-]C1=S ZINC000409171717 556983811 /nfs/dbraw/zinc/98/38/11/556983811.db2.gz FTZQXFQZJJWFEA-XYOKQWHBSA-N -1 0 432.885 3.197 40 10 IGCBRM COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2Cl)C1=O ZINC000409236527 557018532 /nfs/dbraw/zinc/01/85/32/557018532.db2.gz SQJPLTWZGARDSF-XYOKQWHBSA-N -1 0 432.885 3.197 40 10 IGCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(OC)c1O ZINC000409248276 557029176 /nfs/dbraw/zinc/02/91/76/557029176.db2.gz OWUOPIHEVRIWPM-CXUHLZMHSA-N -1 0 426.494 3.364 40 10 IGCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)o2)c(C)c1 ZINC000409391211 557095835 /nfs/dbraw/zinc/09/58/35/557095835.db2.gz HZGBNHZHLKEOJO-LDADJPATSA-N -1 0 431.404 3.103 40 10 IGCBRM COc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000409410617 557103490 /nfs/dbraw/zinc/10/34/90/557103490.db2.gz YOKJLGGYPPMAJP-ZHZULCJRSA-N -1 0 444.443 3.384 40 10 IGCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223579568 557488337 /nfs/dbraw/zinc/48/83/37/557488337.db2.gz USTSDYZFNMONKL-RTWAWAEBSA-N -1 0 436.537 3.152 40 10 IGCBRM CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)s1 ZINC000225464175 557725853 /nfs/dbraw/zinc/72/58/53/557725853.db2.gz DHIPBUCQOQOJHG-UHFFFAOYSA-N -1 0 436.902 3.182 40 10 IGCBRM CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1 ZINC000260843154 557861572 /nfs/dbraw/zinc/86/15/72/557861572.db2.gz OEXWLSBGCFVXJG-UONOGXRCSA-N -1 0 437.591 3.162 40 10 IGCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OC(C)=O ZINC000033632635 569259399 /nfs/dbraw/zinc/25/93/99/569259399.db2.gz SCIHHDFAJRHSDN-DHDCSXOGSA-N -1 0 445.269 3.235 40 10 IGCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1)Nc1ccccc1F ZINC000035128381 569260218 /nfs/dbraw/zinc/26/02/18/569260218.db2.gz GDOHMSXKQGKZTP-RGEXLXHISA-N -1 0 431.423 3.305 40 10 IGCBRM