smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000001491402 561676398 /nfs/dbraw/zinc/67/63/98/561676398.db2.gz PHHZIJWFNAUADE-MUUNZHRXSA-N -1 3 569.595 4.634 1 0 KJAFHM COc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)nc2)cc1OC ZINC000001494381 561676485 /nfs/dbraw/zinc/67/64/85/561676485.db2.gz UKTMVBPQNHUHGD-MUUNZHRXSA-N -1 3 520.545 4.841 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccccc2Cl)s1 ZINC000001535339 561676785 /nfs/dbraw/zinc/67/67/85/561676785.db2.gz ZUKXIXVNPIDHHS-RFBIWTDZSA-N -1 3 502.003 4.797 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2ccccc2Cl)s1 ZINC000001535339 561676783 /nfs/dbraw/zinc/67/67/83/561676783.db2.gz ZUKXIXVNPIDHHS-RFBIWTDZSA-N -1 3 502.003 4.797 1 0 KJAFHM CCCc1nc(CC)c(C(=O)OCOC(=O)C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003802755 561682685 /nfs/dbraw/zinc/68/26/85/561682685.db2.gz YAWGACCXIXWSFI-UHFFFAOYSA-N -1 3 530.629 4.997 1 0 KJAFHM CCCc1nc(CC)c(C(=O)OCOC(=O)C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003802755 561682683 /nfs/dbraw/zinc/68/26/83/561682683.db2.gz YAWGACCXIXWSFI-UHFFFAOYSA-N -1 3 530.629 4.997 1 0 KJAFHM CCOP(=O)(Cc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)c2ccc(OC)cc2)cc1)OCC ZINC000003939253 561689015 /nfs/dbraw/zinc/68/90/15/561689015.db2.gz CDJVEGFGUHCFGR-JDXGNMNLSA-N -1 3 649.703 4.716 1 0 KJAFHM CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000003944398 561689762 /nfs/dbraw/zinc/68/97/62/561689762.db2.gz PHHZIJWFNAUADE-NDEPHWFRSA-N -1 3 569.595 4.634 1 0 KJAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](C=C3CCN(CC(C)C)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000003944472 561689776 /nfs/dbraw/zinc/68/97/76/561689776.db2.gz ODPDWLUYVWCNHO-AREMUKBSSA-N -1 3 551.709 4.790 1 0 KJAFHM CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([n-]c6ccccc6c5=O)[C@@H]4c4ccc5c(c4)OCO5)o3)cc2)CC1 ZINC000003948273 561690096 /nfs/dbraw/zinc/69/00/96/561690096.db2.gz AJYIVTCFWPXQER-YTTGMZPUSA-N -1 3 602.647 4.650 1 0 KJAFHM CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([n-]c6ccccc6c5=O)[C@H]4c4ccc5c(c4)OCO5)o3)cc2)CC1 ZINC000003948276 561690133 /nfs/dbraw/zinc/69/01/33/561690133.db2.gz AJYIVTCFWPXQER-JGCGQSQUSA-N -1 3 602.647 4.650 1 0 KJAFHM CCCC[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc21)C(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000003988881 561693159 /nfs/dbraw/zinc/69/31/59/561693159.db2.gz CTAIZAPBSQNUAF-WMZHIEFXSA-N -1 3 598.553 4.985 1 0 KJAFHM CCCCOP(=O)(OCCCC)[C@]([N-]S(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000006004738 561701316 /nfs/dbraw/zinc/70/13/16/561701316.db2.gz ACHUBZWZVFDAMN-GOSISDBHSA-N -1 3 503.476 4.613 1 0 KJAFHM CCOc1cc(NC(C)=O)ccc1C(=O)[N-]N1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1 ZINC000006040777 561702233 /nfs/dbraw/zinc/70/22/33/561702233.db2.gz ZKBVOYHJKNCKRJ-HAHDFKILSA-N -1 3 502.958 4.672 1 0 KJAFHM COC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(C(=O)OC)cc4O)cc3)cc2)c([O-])c1 ZINC000012403129 561710584 /nfs/dbraw/zinc/71/05/84/561710584.db2.gz PGDNGIHIYILZHE-UHFFFAOYSA-N -1 3 540.528 4.843 1 0 KJAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)CCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013470126 561713794 /nfs/dbraw/zinc/71/37/94/561713794.db2.gz VLYHLACLMBVNJD-ZJGIAAPESA-N -1 3 508.659 4.900 1 0 KJAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCC3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013470127 561713816 /nfs/dbraw/zinc/71/38/16/561713816.db2.gz AFEYCZJMYZYJSC-ZJGIAAPESA-N -1 3 508.659 4.900 1 0 KJAFHM COc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCCO4)nc2)cc1 ZINC000013491044 561716138 /nfs/dbraw/zinc/71/61/38/561716138.db2.gz BPQXSSSOWIGKCE-NDEPHWFRSA-N -1 3 504.546 4.875 1 0 KJAFHM COc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCCO4)nc2)cc1 ZINC000013491045 561716133 /nfs/dbraw/zinc/71/61/33/561716133.db2.gz BPQXSSSOWIGKCE-MUUNZHRXSA-N -1 3 504.546 4.875 1 0 KJAFHM O=C(c1ccc(-c2cccc(CO)c2)o1)N1Cc2c([n-]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000013493098 561716555 /nfs/dbraw/zinc/71/65/55/561716555.db2.gz OOQMMLPEBULJIP-NDEPHWFRSA-N -1 3 506.514 4.755 1 0 KJAFHM O=C(c1ccc(-c2cccc(CO)c2)o1)N1Cc2c([n-]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000013493099 561716546 /nfs/dbraw/zinc/71/65/46/561716546.db2.gz OOQMMLPEBULJIP-MUUNZHRXSA-N -1 3 506.514 4.755 1 0 KJAFHM O=C(c1ccc(-c2ccc(CO)cc2)o1)N1Cc2c([n-]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000013493100 561716551 /nfs/dbraw/zinc/71/65/51/561716551.db2.gz LXJUNQOQDJHUIO-NDEPHWFRSA-N -1 3 506.514 4.755 1 0 KJAFHM O=C(c1ccc(-c2ccc(CO)cc2)o1)N1Cc2c([n-]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000013493101 561716531 /nfs/dbraw/zinc/71/65/31/561716531.db2.gz LXJUNQOQDJHUIO-MUUNZHRXSA-N -1 3 506.514 4.755 1 0 KJAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C1(c2ccccc2)CCCCC1 ZINC000013583000 561720146 /nfs/dbraw/zinc/72/01/46/561720146.db2.gz FFZFIMJVNXMYMK-GMUJNDQRSA-N -1 3 513.723 4.521 1 0 KJAFHM CCOC(=O)Cc1ccc(NC(=O)[N-]c2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000013607049 561721742 /nfs/dbraw/zinc/72/17/42/561721742.db2.gz VBYGSSNTPQTJHH-UHFFFAOYSA-N -1 3 516.562 4.530 1 0 KJAFHM COc1ccccc1N1CCN(CCCNc2cc(=O)[n-]c(Nc3c(Cl)cccc3Cl)n2)CC1 ZINC000013609411 561721865 /nfs/dbraw/zinc/72/18/65/561721865.db2.gz GGYXZWUYGWBTAP-UHFFFAOYSA-N -1 3 503.434 4.865 1 0 KJAFHM COc1ccc(C(OCCN2CCC=C(C(=O)[O-])C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000013737921 561725671 /nfs/dbraw/zinc/72/56/71/561725671.db2.gz YTEOXXBKHDDXII-UHFFFAOYSA-N -1 3 503.595 4.738 1 0 KJAFHM O=C([O-])c1cc(=O)c2ccc(OCCCN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc2o1 ZINC000013741949 561726250 /nfs/dbraw/zinc/72/62/50/561726250.db2.gz QBCZMKJBVLPNFM-UHFFFAOYSA-N -1 3 513.590 4.908 1 0 KJAFHM O=C([O-])c1cc(=O)c2cc(OCCCN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)ccc2o1 ZINC000013741950 561726246 /nfs/dbraw/zinc/72/62/46/561726246.db2.gz CEJXOSQEXRQYNZ-UHFFFAOYSA-N -1 3 513.590 4.908 1 0 KJAFHM CCCCc1nc(-c2cnc(C(=O)OC)nc2C)cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013742390 561726301 /nfs/dbraw/zinc/72/63/01/561726301.db2.gz SSULWWUNXGVEMZ-UHFFFAOYSA-N -1 3 508.586 4.673 1 0 KJAFHM CCCCc1nc(-c2cnc(C(=O)OC)nc2C)cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013742390 561726299 /nfs/dbraw/zinc/72/62/99/561726299.db2.gz SSULWWUNXGVEMZ-UHFFFAOYSA-N -1 3 508.586 4.673 1 0 KJAFHM CCCCc1nc(-c2c(C(=O)OC)ccc(C)[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013742413 561726320 /nfs/dbraw/zinc/72/63/20/561726320.db2.gz FXPJSQHLVKGOOI-UHFFFAOYSA-N -1 3 523.597 4.517 1 0 KJAFHM CCCCc1nc(-c2c(C(=O)OC)ccc(C)[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013742413 561726318 /nfs/dbraw/zinc/72/63/18/561726318.db2.gz FXPJSQHLVKGOOI-UHFFFAOYSA-N -1 3 523.597 4.517 1 0 KJAFHM CCCCc1nc(-c2cc(C(=O)OC)cc(C)[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013742415 561726307 /nfs/dbraw/zinc/72/63/07/561726307.db2.gz ZWKPCVXCJFSRIA-UHFFFAOYSA-N -1 3 523.597 4.517 1 0 KJAFHM CCCCc1nc(-c2cc(C(=O)OC)cc(C)[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013742415 561726306 /nfs/dbraw/zinc/72/63/06/561726306.db2.gz ZWKPCVXCJFSRIA-UHFFFAOYSA-N -1 3 523.597 4.517 1 0 KJAFHM CCCCN(CCCC)CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000013746871 561726873 /nfs/dbraw/zinc/72/68/73/561726873.db2.gz JUONOKQDVODJLD-MXSCXNJPSA-N -1 3 510.631 4.694 1 0 KJAFHM CCc1cc(Cl)c(OC)c(C(=O)NCCCCN2CCN(c3nsc4ccccc43)CC2)c1[O-] ZINC000013747197 561727018 /nfs/dbraw/zinc/72/70/18/561727018.db2.gz QPEHKOOZIPJYAU-UHFFFAOYSA-N -1 3 503.068 4.559 1 0 KJAFHM CCc1cc(Cl)c([O-])c(C(=O)NCCCCN2CCN(c3nsc4ccccc43)CC2)c1OC ZINC000013747199 561727048 /nfs/dbraw/zinc/72/70/48/561727048.db2.gz VYPOWWQQBJXOGV-UHFFFAOYSA-N -1 3 503.068 4.559 1 0 KJAFHM CCCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)C(=O)CCC ZINC000013765580 561728380 /nfs/dbraw/zinc/72/83/80/561728380.db2.gz GZQLLPOYDZGARN-QPVYNBJUSA-N -1 3 510.631 4.694 1 0 KJAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1SCCS1 ZINC000013780900 561729275 /nfs/dbraw/zinc/72/92/75/561729275.db2.gz CJBDUYWFKOIDFK-YZIHRLCOSA-N -1 3 536.760 4.899 1 0 KJAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@@H]1CCCCO1 ZINC000013780901 561729314 /nfs/dbraw/zinc/72/93/14/561729314.db2.gz GNMAMXURTVIVSJ-NLJXWPIHSA-N -1 3 516.679 4.662 1 0 KJAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@H]1CCCCO1 ZINC000013780902 561729331 /nfs/dbraw/zinc/72/93/31/561729331.db2.gz GNMAMXURTVIVSJ-QUIZSENMSA-N -1 3 516.679 4.662 1 0 KJAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1CCOCC1 ZINC000013780903 561729267 /nfs/dbraw/zinc/72/92/67/561729267.db2.gz AOYNZEMYNLSHBX-FMGHJNRGSA-N -1 3 516.679 4.520 1 0 KJAFHM CCCCc1nnc([S@@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013825666 561733024 /nfs/dbraw/zinc/73/30/24/561733024.db2.gz DEPOCTDJAFKUNK-KXQOOQHDSA-N -1 3 527.654 4.833 1 0 KJAFHM CCCCc1nnc([S@@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013825666 561733023 /nfs/dbraw/zinc/73/30/23/561733023.db2.gz DEPOCTDJAFKUNK-KXQOOQHDSA-N -1 3 527.654 4.833 1 0 KJAFHM CCCCc1nnc([S@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013825669 561733030 /nfs/dbraw/zinc/73/30/30/561733030.db2.gz DEPOCTDJAFKUNK-LHEWISCISA-N -1 3 527.654 4.833 1 0 KJAFHM CCCCc1nnc([S@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013825669 561733029 /nfs/dbraw/zinc/73/30/29/561733029.db2.gz DEPOCTDJAFKUNK-LHEWISCISA-N -1 3 527.654 4.833 1 0 KJAFHM CCCCc1nnc(C(=O)N(C)Cc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013825685 561733020 /nfs/dbraw/zinc/73/30/20/561733020.db2.gz ZPSXTPXVPLXQDX-UHFFFAOYSA-N -1 3 506.614 4.788 1 0 KJAFHM CCCCc1nnc(C(=O)N(C)Cc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013825685 561733019 /nfs/dbraw/zinc/73/30/19/561733019.db2.gz ZPSXTPXVPLXQDX-UHFFFAOYSA-N -1 3 506.614 4.788 1 0 KJAFHM CCCCc1nn(C[C@@H](OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832252 561733531 /nfs/dbraw/zinc/73/35/31/561733531.db2.gz RDWXWCVXYMAZDM-AREMUKBSSA-N -1 3 509.614 4.671 1 0 KJAFHM CCCCc1nn(C[C@@H](OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832252 561733529 /nfs/dbraw/zinc/73/35/29/561733529.db2.gz RDWXWCVXYMAZDM-AREMUKBSSA-N -1 3 509.614 4.671 1 0 KJAFHM CCCCc1nn(C[C@H](OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832253 561733500 /nfs/dbraw/zinc/73/35/00/561733500.db2.gz RDWXWCVXYMAZDM-SANMLTNESA-N -1 3 509.614 4.671 1 0 KJAFHM CCCCc1nn(C[C@H](OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832253 561733498 /nfs/dbraw/zinc/73/34/98/561733498.db2.gz RDWXWCVXYMAZDM-SANMLTNESA-N -1 3 509.614 4.671 1 0 KJAFHM CCCCc1nn(C(C)(C)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832256 561733478 /nfs/dbraw/zinc/73/34/78/561733478.db2.gz VCLHBPALCKRVFB-UHFFFAOYSA-N -1 3 521.625 4.901 1 0 KJAFHM CCCCc1nn(C(C)(C)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832256 561733476 /nfs/dbraw/zinc/73/34/76/561733476.db2.gz VCLHBPALCKRVFB-UHFFFAOYSA-N -1 3 521.625 4.901 1 0 KJAFHM COC(=O)c1cccc2nc(OCC(F)(F)F)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c21 ZINC000013832261 561733599 /nfs/dbraw/zinc/73/35/99/561733599.db2.gz BSQODZCCWHMNPZ-UHFFFAOYSA-N -1 3 508.460 4.659 1 0 KJAFHM COC(=O)c1cccc2nc(OCC(F)(F)F)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c21 ZINC000013832261 561733597 /nfs/dbraw/zinc/73/35/97/561733597.db2.gz BSQODZCCWHMNPZ-UHFFFAOYSA-N -1 3 508.460 4.659 1 0 KJAFHM CCCCc1nn(COc2ccc(Cl)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832709 561733687 /nfs/dbraw/zinc/73/36/87/561733687.db2.gz XRNKTEGCXWMSBS-UHFFFAOYSA-N -1 3 516.005 4.973 1 0 KJAFHM CCCCc1nn(COc2ccc(Cl)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832709 561733686 /nfs/dbraw/zinc/73/36/86/561733686.db2.gz XRNKTEGCXWMSBS-UHFFFAOYSA-N -1 3 516.005 4.973 1 0 KJAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@H](C=C3CCN(CC(C)C)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000014175331 561737311 /nfs/dbraw/zinc/73/73/11/561737311.db2.gz ODPDWLUYVWCNHO-SANMLTNESA-N -1 3 551.709 4.790 1 0 KJAFHM O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2NCCCN2CCC([NH+]3CCCCC3)CC2)ccc2c1CCCC2 ZINC000014964537 561749263 /nfs/dbraw/zinc/74/92/63/561749263.db2.gz RMTMVSAWPQDVLL-UHFFFAOYSA-N -1 3 554.757 4.817 1 0 KJAFHM CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000014973115 561751732 /nfs/dbraw/zinc/75/17/32/561751732.db2.gz XHEXBBPSQHCXFU-OAQYLSRUSA-N -1 3 565.777 4.907 1 0 KJAFHM CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000014973119 561751718 /nfs/dbraw/zinc/75/17/18/561751718.db2.gz XHEXBBPSQHCXFU-NRFANRHFSA-N -1 3 565.777 4.907 1 0 KJAFHM CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1ccc([N-]S(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000014973123 561751735 /nfs/dbraw/zinc/75/17/35/561751735.db2.gz RERDOWROKULWDB-OAQYLSRUSA-N -1 3 534.694 4.602 1 0 KJAFHM CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1ccc([N-]S(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000014973127 561751754 /nfs/dbraw/zinc/75/17/54/561751754.db2.gz RERDOWROKULWDB-NRFANRHFSA-N -1 3 534.694 4.602 1 0 KJAFHM Cc1ccc(C[C@@H](CNC(=O)C(C)(C)c2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973272 561752040 /nfs/dbraw/zinc/75/20/40/561752040.db2.gz FOJDWLDFVVPKDW-NRFANRHFSA-N -1 3 534.694 4.656 1 0 KJAFHM Cc1ccc(C[C@H](CNC(=O)C(C)(C)c2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973276 561752030 /nfs/dbraw/zinc/75/20/30/561752030.db2.gz FOJDWLDFVVPKDW-OAQYLSRUSA-N -1 3 534.694 4.656 1 0 KJAFHM CCNC(=O)c1noc(-c2cc(CCc3ccccc3)c(O)cc2[O-])c1-c1ccc(CN2CCOCC2)cc1 ZINC000014974889 561752120 /nfs/dbraw/zinc/75/21/20/561752120.db2.gz NBORIEUQDSFVFQ-UHFFFAOYSA-N -1 3 527.621 4.787 1 0 KJAFHM CCNC(=O)c1noc(-c2cc(CCc3ccc(F)cc3)c(O)cc2[O-])c1-c1ccc(CN2CCOCC2)cc1 ZINC000014974898 561752100 /nfs/dbraw/zinc/75/21/00/561752100.db2.gz KJSBEFKXARDWBJ-UHFFFAOYSA-N -1 3 545.611 4.926 1 0 KJAFHM CCNC(=O)c1noc(-c2cc(CCc3cccc(F)c3)c(O)cc2[O-])c1-c1ccc(CN2CCOCC2)cc1 ZINC000014974904 561752081 /nfs/dbraw/zinc/75/20/81/561752081.db2.gz ZEVCEUSBFMYXLZ-UHFFFAOYSA-N -1 3 545.611 4.926 1 0 KJAFHM CCNC(=O)c1noc(-c2cc(-c3ccccc3F)c(O)cc2[O-])c1-c1ccc(CN2CCOCC2)cc1 ZINC000014974913 561752126 /nfs/dbraw/zinc/75/21/26/561752126.db2.gz AXYVGIWCXQOTTL-UHFFFAOYSA-N -1 3 517.557 4.808 1 0 KJAFHM CCCCOP(=O)(OCCCC)[C@@]([N-]S(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000017256330 561754482 /nfs/dbraw/zinc/75/44/82/561754482.db2.gz ACHUBZWZVFDAMN-SFHVURJKSA-N -1 3 503.476 4.613 1 0 KJAFHM CCCCCCN1CCN([C@@]2(c3ccc(OCc4cc(C)nc5ccccc45)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000023254589 561761438 /nfs/dbraw/zinc/76/14/38/561761438.db2.gz CKPNTYRTTDOFLD-UHFFFAOYSA-N -1 3 543.668 4.722 1 0 KJAFHM CCCCCCN1CCN([C@]2(c3ccc(OCc4cc(C)nc5ccccc45)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000023254589 561761436 /nfs/dbraw/zinc/76/14/36/561761436.db2.gz CKPNTYRTTDOFLD-UHFFFAOYSA-N -1 3 543.668 4.722 1 0 KJAFHM CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c([N-]S(=O)(=O)c4ccccc4)nc3n2)CC1 ZINC000023357790 561761754 /nfs/dbraw/zinc/76/17/54/561761754.db2.gz YLYQCDIBBXQWFP-UHFFFAOYSA-N -1 3 586.549 4.849 1 0 KJAFHM O=c1[nH]c2c(s1)c(CC[NH2+]CCSCCCOCCc1ccc([N-]S(=O)(=O)c3ccccc3)cc1)ccc2[O-] ZINC000025422014 561762695 /nfs/dbraw/zinc/76/26/95/561762695.db2.gz JPSDRNMLHOMLSM-UHFFFAOYSA-N -1 3 587.789 4.611 1 0 KJAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2cccc(Cl)c2)c2ccc(OC(F)F)cc2)ccc1[O-] ZINC000026144790 561766996 /nfs/dbraw/zinc/76/69/96/561766996.db2.gz DSEGFUSAJVUFLK-OFNKIYASSA-N -1 3 526.989 4.626 1 0 KJAFHM CCCc1cc(=O)n(CCNC(=O)C(c2ccccc2)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026170656 561769924 /nfs/dbraw/zinc/76/99/24/561769924.db2.gz LAZZBSKATUJZMR-UHFFFAOYSA-N -1 3 625.733 4.806 1 0 KJAFHM CCCc1cc(=O)n(CCNC(=O)C(c2ccccc2)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026170656 561769923 /nfs/dbraw/zinc/76/99/23/561769923.db2.gz LAZZBSKATUJZMR-UHFFFAOYSA-N -1 3 625.733 4.806 1 0 KJAFHM CCCCc1cc(=O)n2nc(-c3ccccc3)nc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026177742 561771086 /nfs/dbraw/zinc/77/10/86/561771086.db2.gz NYRQQEFQBCBNOY-UHFFFAOYSA-N -1 3 502.582 4.796 1 0 KJAFHM CCCCc1cc(=O)n2nc(-c3ccccc3)nc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026177742 561771084 /nfs/dbraw/zinc/77/10/84/561771084.db2.gz NYRQQEFQBCBNOY-UHFFFAOYSA-N -1 3 502.582 4.796 1 0 KJAFHM CCCOc1ccc(S(=O)(=O)N2CCC(CP(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[n-]1 ZINC000026188113 561773002 /nfs/dbraw/zinc/77/30/02/561773002.db2.gz HKEDQPUAYCEXFZ-UHFFFAOYSA-N -1 3 623.713 4.732 1 0 KJAFHM COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)C2=C([O-])c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254937 561774690 /nfs/dbraw/zinc/77/46/90/561774690.db2.gz STFHCRUNLPKGNS-BKJGBRIOSA-N -1 3 614.688 4.959 1 0 KJAFHM COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)C2=C([O-])c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254951 561774703 /nfs/dbraw/zinc/77/47/03/561774703.db2.gz STFHCRUNLPKGNS-MHMTURBSSA-N -1 3 614.688 4.959 1 0 KJAFHM CCCCc1nn([C@@H](CC(=O)OCC)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026265436 561776202 /nfs/dbraw/zinc/77/62/02/561776202.db2.gz HPXVKCMIUUXJFU-MHZLTWQESA-N -1 3 579.661 4.660 1 0 KJAFHM CCCCc1nn([C@@H](CC(=O)OCC)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026265436 561776200 /nfs/dbraw/zinc/77/62/00/561776200.db2.gz HPXVKCMIUUXJFU-MHZLTWQESA-N -1 3 579.661 4.660 1 0 KJAFHM CCCCc1nn([C@H](CC(=O)OCC)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026265443 561776170 /nfs/dbraw/zinc/77/61/70/561776170.db2.gz HPXVKCMIUUXJFU-HHHXNRCGSA-N -1 3 579.661 4.660 1 0 KJAFHM CCCCc1nn([C@H](CC(=O)OCC)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026265443 561776168 /nfs/dbraw/zinc/77/61/68/561776168.db2.gz HPXVKCMIUUXJFU-HHHXNRCGSA-N -1 3 579.661 4.660 1 0 KJAFHM CCCCc1nn(C[C@@H](OCC(=O)OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026266055 561776367 /nfs/dbraw/zinc/77/63/67/561776367.db2.gz HQGRCVAXUMMAKB-MUUNZHRXSA-N -1 3 581.677 4.604 1 0 KJAFHM CCCCc1nn(C[C@@H](OCC(=O)OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026266055 561776366 /nfs/dbraw/zinc/77/63/66/561776366.db2.gz HQGRCVAXUMMAKB-MUUNZHRXSA-N -1 3 581.677 4.604 1 0 KJAFHM CCCCc1nn(C[C@H](OCC(=O)OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026266062 561776390 /nfs/dbraw/zinc/77/63/90/561776390.db2.gz HQGRCVAXUMMAKB-NDEPHWFRSA-N -1 3 581.677 4.604 1 0 KJAFHM CCCCc1nn(C[C@H](OCC(=O)OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026266062 561776389 /nfs/dbraw/zinc/77/63/89/561776389.db2.gz HQGRCVAXUMMAKB-NDEPHWFRSA-N -1 3 581.677 4.604 1 0 KJAFHM Cc1ccc(C[C@@H](C[N-]C(=S)OCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026380452 561783314 /nfs/dbraw/zinc/78/33/14/561783314.db2.gz BGGGXHNSURQXCK-QFIPXVFZSA-N -1 3 520.717 4.514 1 0 KJAFHM Cc1ccc(C[C@H](C[N-]C(=S)OCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026380454 561783323 /nfs/dbraw/zinc/78/33/23/561783323.db2.gz BGGGXHNSURQXCK-JOCHJYFZSA-N -1 3 520.717 4.514 1 0 KJAFHM Cc1ccc(C[C@@H](C[N-]C(=S)OCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000026390904 561785799 /nfs/dbraw/zinc/78/57/99/561785799.db2.gz IVUUGALIHOWUOP-NRFANRHFSA-N -1 3 538.707 4.653 1 0 KJAFHM Cc1ccc(C[C@H](C[N-]C(=S)OCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000026390907 561785815 /nfs/dbraw/zinc/78/58/15/561785815.db2.gz IVUUGALIHOWUOP-OAQYLSRUSA-N -1 3 538.707 4.653 1 0 KJAFHM CCCCc1nc2cccc(C(=O)OCCN3CCOCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026395774 561786950 /nfs/dbraw/zinc/78/69/50/561786950.db2.gz SBCPYZKCFVYHGI-UHFFFAOYSA-N -1 3 565.678 4.763 1 0 KJAFHM CCCCc1nc2cccc(C(=O)OCCN3CCOCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026395774 561786948 /nfs/dbraw/zinc/78/69/48/561786948.db2.gz SBCPYZKCFVYHGI-UHFFFAOYSA-N -1 3 565.678 4.763 1 0 KJAFHM COC(=O)c1ccc(CC[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N([O-])C=O)cc1 ZINC000026397684 561787570 /nfs/dbraw/zinc/78/75/70/561787570.db2.gz CATBJIHGLQLCIT-FQEVSTJZSA-N -1 3 567.538 4.787 1 0 KJAFHM COC(=O)c1ccc(CC[C@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N([O-])C=O)cc1 ZINC000026397688 561787504 /nfs/dbraw/zinc/78/75/04/561787504.db2.gz CATBJIHGLQLCIT-HXUWFJFHSA-N -1 3 567.538 4.787 1 0 KJAFHM CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026400384 561788220 /nfs/dbraw/zinc/78/82/20/561788220.db2.gz AGYJKWLACPVLLU-UHFFFAOYSA-N -1 3 552.547 4.542 1 0 KJAFHM CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026400384 561788219 /nfs/dbraw/zinc/78/82/19/561788219.db2.gz AGYJKWLACPVLLU-UHFFFAOYSA-N -1 3 552.547 4.542 1 0 KJAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026404392 561789520 /nfs/dbraw/zinc/78/95/20/561789520.db2.gz DTTKGJDJYCPZAU-UHFFFAOYSA-N -1 3 540.580 4.644 1 0 KJAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026404392 561789518 /nfs/dbraw/zinc/78/95/18/561789518.db2.gz DTTKGJDJYCPZAU-UHFFFAOYSA-N -1 3 540.580 4.644 1 0 KJAFHM O=C(NCC[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026466697 561789857 /nfs/dbraw/zinc/78/98/57/561789857.db2.gz GURHPXXZJSRTNQ-QHCPKHFHSA-N -1 3 698.667 4.853 1 0 KJAFHM O=C(NCC[N-]S(=O)(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl ZINC000026471083 561790532 /nfs/dbraw/zinc/79/05/32/561790532.db2.gz XNYONDFVYBMCFN-NDEPHWFRSA-N -1 3 729.708 4.559 1 0 KJAFHM O=Cc1cccc(-c2ccc(S(=O)(=O)[N-]CCNC(=O)C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(Cl)cccc3Cl)s2)c1 ZINC000026472235 561790645 /nfs/dbraw/zinc/79/06/45/561790645.db2.gz FEGWECWGCMIISJ-DEOSSOPVSA-N -1 3 658.585 4.539 1 0 KJAFHM CCCC(=O)OCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c21 ZINC000026472904 561790678 /nfs/dbraw/zinc/79/06/78/561790678.db2.gz JGRFTJBTMXRQQK-UHFFFAOYSA-N -1 3 540.580 4.788 1 0 KJAFHM CCCC(=O)OCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c21 ZINC000026472904 561790676 /nfs/dbraw/zinc/79/06/76/561790676.db2.gz JGRFTJBTMXRQQK-UHFFFAOYSA-N -1 3 540.580 4.788 1 0 KJAFHM CCCOc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1-c1nc2c3cn(Cc4ccc(OC)cc4)nc3nc(Cl)c2c(=O)[n-]1 ZINC000026496072 561794353 /nfs/dbraw/zinc/79/43/53/561794353.db2.gz LKRDLYGCRSZOTL-HXUWFJFHSA-N -1 3 652.177 4.571 1 0 KJAFHM CN(C)Cc1n[n-]nc1CN1CCO[C@]2(CC[C@@H](c3ccccc3OC(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000026567122 561797224 /nfs/dbraw/zinc/79/72/24/561797224.db2.gz GXDHHASFXFRRTG-PBXQCXKZSA-N -1 3 549.569 4.768 1 0 KJAFHM CN(C)Cc1n[n-]nc1CN1CCO[C@]2(CC[C@@H](c3ccccc3C(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000026570098 561797930 /nfs/dbraw/zinc/79/79/30/561797930.db2.gz RHLFRQYCXXEYMH-PBXQCXKZSA-N -1 3 533.570 4.888 1 0 KJAFHM CCCCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026573658 561798577 /nfs/dbraw/zinc/79/85/77/561798577.db2.gz KKHIROLUJYOXNY-UHFFFAOYSA-N -1 3 541.484 4.968 1 0 KJAFHM CCCCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026573658 561798576 /nfs/dbraw/zinc/79/85/76/561798576.db2.gz KKHIROLUJYOXNY-UHFFFAOYSA-N -1 3 541.484 4.968 1 0 KJAFHM CCCCc1nc2ccn([C@@H](C(=O)N3CCOCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026640410 561806450 /nfs/dbraw/zinc/80/64/50/561806450.db2.gz DIIIBFXZLRQLFS-JGCGQSQUSA-N -1 3 628.737 4.884 1 0 KJAFHM CCCCc1nc2ccn([C@@H](C(=O)N3CCOCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026640410 561806448 /nfs/dbraw/zinc/80/64/48/561806448.db2.gz DIIIBFXZLRQLFS-JGCGQSQUSA-N -1 3 628.737 4.884 1 0 KJAFHM CCCCc1nc2ccn([C@H](C(=O)N3CCOCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026640416 561806428 /nfs/dbraw/zinc/80/64/28/561806428.db2.gz DIIIBFXZLRQLFS-YTTGMZPUSA-N -1 3 628.737 4.884 1 0 KJAFHM CCCCc1nc2ccn([C@H](C(=O)N3CCOCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026640416 561806426 /nfs/dbraw/zinc/80/64/26/561806426.db2.gz DIIIBFXZLRQLFS-YTTGMZPUSA-N -1 3 628.737 4.884 1 0 KJAFHM CCCCc1nc2ccn([C@@H](C(N)=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026647573 561807809 /nfs/dbraw/zinc/80/78/09/561807809.db2.gz JWOOHGBDGJWRIR-MUUNZHRXSA-N -1 3 558.646 4.511 1 0 KJAFHM CCCCc1nc2ccn([C@@H](C(N)=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026647573 561807807 /nfs/dbraw/zinc/80/78/07/561807807.db2.gz JWOOHGBDGJWRIR-MUUNZHRXSA-N -1 3 558.646 4.511 1 0 KJAFHM CCCCc1nc2ccn([C@H](C(N)=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026647578 561807826 /nfs/dbraw/zinc/80/78/26/561807826.db2.gz JWOOHGBDGJWRIR-NDEPHWFRSA-N -1 3 558.646 4.511 1 0 KJAFHM CCCCc1nc2ccn([C@H](C(N)=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026647578 561807824 /nfs/dbraw/zinc/80/78/24/561807824.db2.gz JWOOHGBDGJWRIR-NDEPHWFRSA-N -1 3 558.646 4.511 1 0 KJAFHM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC000026647752 561807797 /nfs/dbraw/zinc/80/77/97/561807797.db2.gz LRLOSFJDDYZMEF-RMDSEJHCSA-N -1 3 504.627 4.620 1 0 KJAFHM COc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1[O-] ZINC000026653411 561808709 /nfs/dbraw/zinc/80/87/09/561808709.db2.gz KHIIYRZBETWWKZ-KLJDGLGGSA-N -1 3 534.653 4.629 1 0 KJAFHM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])cc1 ZINC000026655279 561809182 /nfs/dbraw/zinc/80/91/82/561809182.db2.gz ASCSXYIHAHOACD-URORMMCBSA-N -1 3 504.627 4.620 1 0 KJAFHM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000026657967 561809780 /nfs/dbraw/zinc/80/97/80/561809780.db2.gz NWVKEDNUZKBKRO-URORMMCBSA-N -1 3 504.627 4.620 1 0 KJAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](C=C3CCSCC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026735954 561817470 /nfs/dbraw/zinc/81/74/70/561817470.db2.gz KQXZHGMAVQYCLA-JOCHJYFZSA-N -1 3 512.653 4.566 1 0 KJAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@H](C=C3CCSCC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026735959 561817501 /nfs/dbraw/zinc/81/75/01/561817501.db2.gz KQXZHGMAVQYCLA-QFIPXVFZSA-N -1 3 512.653 4.566 1 0 KJAFHM COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)c2ccccc12 ZINC000026822783 561821485 /nfs/dbraw/zinc/82/14/85/561821485.db2.gz GKVZJTQXVQMYBY-SQHAQQRYSA-N -1 3 506.624 4.533 1 0 KJAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)ccc1[O-] ZINC000026828211 561822351 /nfs/dbraw/zinc/82/23/51/561822351.db2.gz SBNLECBRYJGBMG-FIBWVYCGSA-N -1 3 532.662 4.950 1 0 KJAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)ccc1[O-] ZINC000026828217 561822391 /nfs/dbraw/zinc/82/23/91/561822391.db2.gz SBNLECBRYJGBMG-OFSOJUDTSA-N -1 3 532.662 4.950 1 0 KJAFHM CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[O-] ZINC000026847564 561826805 /nfs/dbraw/zinc/82/68/05/561826805.db2.gz JXYBGOIIBBZYGG-VMPREFPWSA-N -1 3 550.659 4.928 1 0 KJAFHM CCCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000026962425 561829671 /nfs/dbraw/zinc/82/96/71/561829671.db2.gz ONFVMNXKGCKHRE-ZJGIAAPESA-N -1 3 574.740 4.887 1 0 KJAFHM CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)Cc1ccccc1 ZINC000026968596 561830220 /nfs/dbraw/zinc/83/02/20/561830220.db2.gz SBPDQKNFUCSQDY-XUEBXJBISA-N -1 3 580.703 4.507 1 0 KJAFHM CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026974500 561830706 /nfs/dbraw/zinc/83/07/06/561830706.db2.gz UBMFQXBBGUCRBP-ZPJFYFFZSA-N -1 3 590.739 4.506 1 0 KJAFHM CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000026979936 561831278 /nfs/dbraw/zinc/83/12/78/561831278.db2.gz CZMQSNRSDRARJU-XUEBXJBISA-N -1 3 580.703 4.675 1 0 KJAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000026986995 561832099 /nfs/dbraw/zinc/83/20/99/561832099.db2.gz DFPCVVZATIUBJZ-USOMCTOXSA-N -1 3 524.658 4.737 1 0 KJAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc(OC)cc2OC)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000026987148 561832109 /nfs/dbraw/zinc/83/21/09/561832109.db2.gz IMZRKILMBXWZMB-ZJGIAAPESA-N -1 3 526.674 4.983 1 0 KJAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCc1nc(C)c(C)o1 ZINC000026989464 561832404 /nfs/dbraw/zinc/83/24/04/561832404.db2.gz BOGIUGRMOYWECN-AWVRMFGXSA-N -1 3 527.662 4.550 1 0 KJAFHM CCCCC1=NC2(CCN(C(=O)[C@@H](N)[C@@H](C)CC)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026995728 561833282 /nfs/dbraw/zinc/83/32/82/561833282.db2.gz PNKULEYXNOVYIS-IDISGSTGSA-N -1 3 532.685 4.717 1 0 KJAFHM CCCCC1=NC2(CCN(C(=O)[C@H](N)[C@@H](C)CC)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026995734 561833293 /nfs/dbraw/zinc/83/32/93/561833293.db2.gz PNKULEYXNOVYIS-KDYSTLNUSA-N -1 3 532.685 4.717 1 0 KJAFHM CCCCC1=NC2(CCN(C(=O)[C@@H](N)[C@H](C)CC)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026995740 561833285 /nfs/dbraw/zinc/83/32/85/561833285.db2.gz PNKULEYXNOVYIS-ZBLYBZFDSA-N -1 3 532.685 4.717 1 0 KJAFHM CCCCC1=NC2(CCN(C(=O)[C@H](N)[C@H](C)CC)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026995746 561833238 /nfs/dbraw/zinc/83/32/38/561833238.db2.gz PNKULEYXNOVYIS-JIPXPUAJSA-N -1 3 532.685 4.717 1 0 KJAFHM [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccccc3[O-])c2)c(I)c1)C(=O)[O-] ZINC000027074707 561833978 /nfs/dbraw/zinc/83/39/78/561833978.db2.gz PJUORHNMWALYFX-SFHVURJKSA-N -1 3 631.204 4.645 1 0 KJAFHM CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027075329 561834167 /nfs/dbraw/zinc/83/41/67/561834167.db2.gz ZJALVRUOITUUPZ-UHFFFAOYSA-N -1 3 560.655 4.662 1 0 KJAFHM CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027075329 561834165 /nfs/dbraw/zinc/83/41/65/561834165.db2.gz ZJALVRUOITUUPZ-UHFFFAOYSA-N -1 3 560.655 4.662 1 0 KJAFHM [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc([O-])c(F)c3)c2)c(I)c1)C(=O)[O-] ZINC000027078690 561834593 /nfs/dbraw/zinc/83/45/93/561834593.db2.gz QNERSANUGNUPLW-SFHVURJKSA-N -1 3 649.194 4.784 1 0 KJAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000027102644 561839181 /nfs/dbraw/zinc/83/91/81/561839181.db2.gz GCSXRBNJMWEMSV-SMCANUKXSA-N -1 3 591.686 4.742 1 0 KJAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000027104438 561839556 /nfs/dbraw/zinc/83/95/56/561839556.db2.gz UWTHZWYOVGNKQD-SMCANUKXSA-N -1 3 591.686 4.742 1 0 KJAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1 ZINC000027105541 561839999 /nfs/dbraw/zinc/83/99/99/561839999.db2.gz RAOCKXZPQJALPA-DHLKQENFSA-N -1 3 602.924 4.910 1 0 KJAFHM O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)OCc1ccccn1 ZINC000027106966 561840453 /nfs/dbraw/zinc/84/04/53/561840453.db2.gz QMFFUYFALTVNOP-SKXFTCKDSA-N -1 3 674.754 4.640 1 0 KJAFHM O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)OCc1ccccn1 ZINC000027107470 561840588 /nfs/dbraw/zinc/84/05/88/561840588.db2.gz QMFFUYFALTVNOP-KFIZHRIMSA-N -1 3 674.754 4.640 1 0 KJAFHM O=C1[N-]C(=O)C(CSCc2ccc(Br)cc2)(CSCc2ccc(Br)cc2)N1 ZINC000027181299 561841688 /nfs/dbraw/zinc/84/16/88/561841688.db2.gz QFZJFKJFEKSJPP-UHFFFAOYSA-N -1 3 530.307 4.956 1 0 KJAFHM O=C([O-])[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl ZINC000027304461 561849372 /nfs/dbraw/zinc/84/93/72/561849372.db2.gz MANPFXQOUPQAJD-BOAIRFLBSA-N -1 3 634.542 4.544 1 0 KJAFHM O=c1c2c([n-]c3ccccc31)[C@H](c1ccc3c(c1)CCO3)N(c1ncc(-c3ccc(OCCN4CCOCC4)cc3)cn1)C2 ZINC000027408637 561856045 /nfs/dbraw/zinc/85/60/45/561856045.db2.gz FLQFFIKNQRJCOA-XIFFEERXSA-N -1 3 587.680 4.741 1 0 KJAFHM O=c1c2c([n-]c3ccccc31)[C@@H](c1ccc3c(c1)CCO3)N(c1ncc(-c3ccc(OCCN4CCOCC4)cc3)cn1)C2 ZINC000027408641 561856003 /nfs/dbraw/zinc/85/60/03/561856003.db2.gz FLQFFIKNQRJCOA-MGBGTMOVSA-N -1 3 587.680 4.741 1 0 KJAFHM O=c1[n-]c(=O)n(/C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1I ZINC000027422516 561857812 /nfs/dbraw/zinc/85/78/12/561857812.db2.gz PHUCMVLESYNLLQ-YVLHZVERSA-N -1 3 536.369 4.621 1 0 KJAFHM CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(Cc3sc(N)nc3[O-])cc1)CC2 ZINC000027430302 561859244 /nfs/dbraw/zinc/85/92/44/561859244.db2.gz NPWAZFOGEUJYOS-CUBQBAPOSA-N -1 3 510.656 4.961 1 0 KJAFHM CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(Cc3sc(N)nc3[O-])cc1)CC2 ZINC000027430307 561859231 /nfs/dbraw/zinc/85/92/31/561859231.db2.gz NPWAZFOGEUJYOS-RBJSKKJNSA-N -1 3 510.656 4.961 1 0 KJAFHM CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(Cc3sc(N)nc3[O-])cc1)CC2 ZINC000027430311 561859249 /nfs/dbraw/zinc/85/92/49/561859249.db2.gz NPWAZFOGEUJYOS-YWEHKCAJSA-N -1 3 510.656 4.961 1 0 KJAFHM CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(Cc3sc(N)nc3[O-])cc1)CC2 ZINC000027430315 561859261 /nfs/dbraw/zinc/85/92/61/561859261.db2.gz NPWAZFOGEUJYOS-UFHPHHKVSA-N -1 3 510.656 4.961 1 0 KJAFHM CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([n-]c6ccccc6c5=O)[C@@H]4c4ccc5c(c4)CCO5)o3)cc2)CC1 ZINC000027520493 561863684 /nfs/dbraw/zinc/86/36/84/561863684.db2.gz ABOHIXOOXRYIFZ-XIFFEERXSA-N -1 3 600.675 4.856 1 0 KJAFHM CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([n-]c6ccccc6c5=O)[C@H]4c4ccc5c(c4)CCO5)o3)cc2)CC1 ZINC000027520495 561863670 /nfs/dbraw/zinc/86/36/70/561863670.db2.gz ABOHIXOOXRYIFZ-MGBGTMOVSA-N -1 3 600.675 4.856 1 0 KJAFHM CCCCc1nc(C)n(Cc2occc2C(=O)OC)c(=O)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027552257 561868346 /nfs/dbraw/zinc/86/83/46/561868346.db2.gz ZEQBPZZTYKGYLB-UHFFFAOYSA-N -1 3 538.608 4.760 1 0 KJAFHM CCCCc1nc(C)n(Cc2occc2C(=O)OC)c(=O)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027552257 561868345 /nfs/dbraw/zinc/86/83/45/561868345.db2.gz ZEQBPZZTYKGYLB-UHFFFAOYSA-N -1 3 538.608 4.760 1 0 KJAFHM COc1ncc(C(=O)[N-]c2c(Cl)c[n+]([O-])cc2Cl)c2cc(C3(OC)CCN(C(=O)OC(C)(C)C)CC3)oc21 ZINC000027556969 561869755 /nfs/dbraw/zinc/86/97/55/561869755.db2.gz LYJGBGQLQMRKKF-UHFFFAOYSA-N -1 3 567.426 4.902 1 0 KJAFHM CC(C)N(C(=O)COC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC[P@](=O)([O-])Oc1ccccc1)C(C)C ZINC000027561316 561870719 /nfs/dbraw/zinc/87/07/19/561870719.db2.gz MASBABGJFNLNNK-PMERELPUSA-N -1 3 623.687 4.771 1 0 KJAFHM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(-c4nnc(C)o4)cc3C)cc2)cc1N1CCN(C)CC1 ZINC000027564210 561871657 /nfs/dbraw/zinc/87/16/57/561871657.db2.gz JKUCDLNLWFSEAR-UHFFFAOYSA-N -1 3 533.654 4.582 1 0 KJAFHM CC(C)CC1=C([O-])N(COP(=O)(Oc2ccccc2)Oc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027627008 561873167 /nfs/dbraw/zinc/87/31/67/561873167.db2.gz GVMNKNPEYDRCBJ-DEOSSOPVSA-N -1 3 532.555 4.773 1 0 KJAFHM CC(C)CC1=C([O-])N(COP(=O)(Oc2ccccc2)Oc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027627011 561873199 /nfs/dbraw/zinc/87/31/99/561873199.db2.gz GVMNKNPEYDRCBJ-XMMPIXPASA-N -1 3 532.555 4.773 1 0 KJAFHM CCCCc1nnc([S@@](=O)Cc2ccccc2C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027708196 561879159 /nfs/dbraw/zinc/87/91/59/561879159.db2.gz OOXYKSCYOXSJPF-RRHRGVEJSA-N -1 3 555.664 4.611 1 0 KJAFHM CCCCc1nnc([S@@](=O)Cc2ccccc2C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027708196 561879158 /nfs/dbraw/zinc/87/91/58/561879158.db2.gz OOXYKSCYOXSJPF-RRHRGVEJSA-N -1 3 555.664 4.611 1 0 KJAFHM CCCCc1nnc([S@](=O)Cc2ccccc2C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027708201 561879176 /nfs/dbraw/zinc/87/91/76/561879176.db2.gz OOXYKSCYOXSJPF-FAIXQHPJSA-N -1 3 555.664 4.611 1 0 KJAFHM CCCCc1nnc([S@](=O)Cc2ccccc2C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027708201 561879174 /nfs/dbraw/zinc/87/91/74/561879174.db2.gz OOXYKSCYOXSJPF-FAIXQHPJSA-N -1 3 555.664 4.611 1 0 KJAFHM CCCCNC(=O)NCc1ccc(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1=O ZINC000027734973 561881724 /nfs/dbraw/zinc/88/17/24/561881724.db2.gz NXYLRJUEOJFSAR-UHFFFAOYSA-N -1 3 513.646 4.686 1 0 KJAFHM CCCCNC(=O)NCc1ccc(CCCC)n(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1=O ZINC000027734973 561881722 /nfs/dbraw/zinc/88/17/22/561881722.db2.gz NXYLRJUEOJFSAR-UHFFFAOYSA-N -1 3 513.646 4.686 1 0 KJAFHM CCCc1nc(CC)c(C(=O)O[C@@H](C)OC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027735186 561881777 /nfs/dbraw/zinc/88/17/77/561881777.db2.gz ZGOTUDSLCLNVGS-QGZVFWFLSA-N -1 3 518.574 4.579 1 0 KJAFHM CCCc1nc(CC)c(C(=O)O[C@@H](C)OC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027735186 561881776 /nfs/dbraw/zinc/88/17/76/561881776.db2.gz ZGOTUDSLCLNVGS-QGZVFWFLSA-N -1 3 518.574 4.579 1 0 KJAFHM CCCc1nc(CC)c(C(=O)O[C@H](C)OC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027735192 561881749 /nfs/dbraw/zinc/88/17/49/561881749.db2.gz ZGOTUDSLCLNVGS-KRWDZBQOSA-N -1 3 518.574 4.579 1 0 KJAFHM CCCc1nc(CC)c(C(=O)O[C@H](C)OC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027735192 561881748 /nfs/dbraw/zinc/88/17/48/561881748.db2.gz ZGOTUDSLCLNVGS-KRWDZBQOSA-N -1 3 518.574 4.579 1 0 KJAFHM CCCc1nc(CC)c(C(=O)OCOC(=O)C(C)C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027736989 561882035 /nfs/dbraw/zinc/88/20/35/561882035.db2.gz IDFCVRWDUJXLRG-UHFFFAOYSA-N -1 3 516.602 4.607 1 0 KJAFHM CCCc1nc(CC)c(C(=O)OCOC(=O)C(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027736989 561882034 /nfs/dbraw/zinc/88/20/34/561882034.db2.gz IDFCVRWDUJXLRG-UHFFFAOYSA-N -1 3 516.602 4.607 1 0 KJAFHM CCCCc1ccc(CNS(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027737596 561882180 /nfs/dbraw/zinc/88/21/80/561882180.db2.gz CIOKNOBIWDNROB-UHFFFAOYSA-N -1 3 568.703 4.873 1 0 KJAFHM CCCCc1ccc(CNS(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027737596 561882178 /nfs/dbraw/zinc/88/21/78/561882178.db2.gz CIOKNOBIWDNROB-UHFFFAOYSA-N -1 3 568.703 4.873 1 0 KJAFHM CCCCc1ccc(CNS(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027737604 561882120 /nfs/dbraw/zinc/88/21/20/561882120.db2.gz DHRFZIYLZZUOCX-UHFFFAOYSA-N -1 3 554.676 4.565 1 0 KJAFHM CCCCc1ccc(CNS(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027737604 561882118 /nfs/dbraw/zinc/88/21/18/561882118.db2.gz DHRFZIYLZZUOCX-UHFFFAOYSA-N -1 3 554.676 4.565 1 0 KJAFHM CCCCc1ccc(CN(C)S(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027738739 561882138 /nfs/dbraw/zinc/88/21/38/561882138.db2.gz YLJPTSDOHKZHTP-UHFFFAOYSA-N -1 3 568.703 4.907 1 0 KJAFHM CCCCc1ccc(CN(C)S(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027738739 561882137 /nfs/dbraw/zinc/88/21/37/561882137.db2.gz YLJPTSDOHKZHTP-UHFFFAOYSA-N -1 3 568.703 4.907 1 0 KJAFHM CCCc1nc(CC)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027738948 561882287 /nfs/dbraw/zinc/88/22/87/561882287.db2.gz QTJMKBIDKRPYTG-UHFFFAOYSA-N -1 3 528.569 4.505 1 0 KJAFHM CCCc1nc(CC)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027738948 561882284 /nfs/dbraw/zinc/88/22/84/561882284.db2.gz QTJMKBIDKRPYTG-UHFFFAOYSA-N -1 3 528.569 4.505 1 0 KJAFHM CCCCc1ccc(CNC(=O)Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027739092 561882263 /nfs/dbraw/zinc/88/22/63/561882263.db2.gz CQIVQSSPEIWGIA-UHFFFAOYSA-N -1 3 532.648 4.945 1 0 KJAFHM CCCCc1ccc(CNC(=O)Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027739092 561882262 /nfs/dbraw/zinc/88/22/62/561882262.db2.gz CQIVQSSPEIWGIA-UHFFFAOYSA-N -1 3 532.648 4.945 1 0 KJAFHM CCCCc1ccc(CNC(=O)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027754478 561883514 /nfs/dbraw/zinc/88/35/14/561883514.db2.gz FEOCKLWGGSEGBV-UHFFFAOYSA-N -1 3 513.646 4.638 1 0 KJAFHM CCCCc1ccc(CNC(=O)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027754478 561883512 /nfs/dbraw/zinc/88/35/12/561883512.db2.gz FEOCKLWGGSEGBV-UHFFFAOYSA-N -1 3 513.646 4.638 1 0 KJAFHM C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000027884117 561889341 /nfs/dbraw/zinc/88/93/41/561889341.db2.gz KEICGMSXAYQUFS-SFMDGOMNSA-N -1 3 557.691 4.913 1 0 KJAFHM C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000027893346 561889937 /nfs/dbraw/zinc/88/99/37/561889937.db2.gz IBAJNDBMJZHILE-BPRKCTTGSA-N -1 3 614.743 4.549 1 0 KJAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(O)c3)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1[O-] ZINC000027979355 561891410 /nfs/dbraw/zinc/89/14/10/561891410.db2.gz PIJSUFSQZFVNPL-WLZNGNGHSA-N -1 3 525.941 4.585 1 0 KJAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc5c(c3)OCO5)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1[O-] ZINC000027979361 561891475 /nfs/dbraw/zinc/89/14/75/561891475.db2.gz KDLIIVPTMGFPEA-VYRLLOQTSA-N -1 3 553.951 4.608 1 0 KJAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc5c(c3)OCCO5)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1[O-] ZINC000027983512 561891970 /nfs/dbraw/zinc/89/19/70/561891970.db2.gz IWJAVBUOXWJQHQ-KJPXCWHJSA-N -1 3 567.978 4.651 1 0 KJAFHM COC(=O)[C@H]([N-]C(=O)C(F)(F)C(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000028228509 561908645 /nfs/dbraw/zinc/90/86/45/561908645.db2.gz HTHYSGSRRIKEQH-MJSOWUPRSA-N -1 3 695.760 4.762 1 0 KJAFHM COC(=O)[C@H]([N-]C(=O)C(F)(F)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000028228513 561908615 /nfs/dbraw/zinc/90/86/15/561908615.db2.gz HTHYSGSRRIKEQH-RWSKJCERSA-N -1 3 695.760 4.762 1 0 KJAFHM O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(CC[P@](=O)([O-])c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236290 561909774 /nfs/dbraw/zinc/90/97/74/561909774.db2.gz WDNJDEHYMQIMMS-RFYMFKDESA-N -1 3 542.632 4.792 1 0 KJAFHM O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(CC[P@](=O)([O-])c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236290 561909773 /nfs/dbraw/zinc/90/97/73/561909773.db2.gz WDNJDEHYMQIMMS-RFYMFKDESA-N -1 3 542.632 4.792 1 0 KJAFHM O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000028348020 561915136 /nfs/dbraw/zinc/91/51/36/561915136.db2.gz BNKNOCFPPRFXQZ-OUDXUNEISA-N -1 3 530.115 4.602 1 0 KJAFHM O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000028348026 561915152 /nfs/dbraw/zinc/91/51/52/561915152.db2.gz BNKNOCFPPRFXQZ-UNVFRBQDSA-N -1 3 530.115 4.602 1 0 KJAFHM O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000028358606 561916475 /nfs/dbraw/zinc/91/64/75/561916475.db2.gz PFTCBIBMHGBWSG-DKGMKSHISA-N -1 3 585.195 4.634 1 0 KJAFHM O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000028358614 561916480 /nfs/dbraw/zinc/91/64/80/561916480.db2.gz PFTCBIBMHGBWSG-KERYWQKISA-N -1 3 585.195 4.634 1 0 KJAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(C)/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028364613 561917319 /nfs/dbraw/zinc/91/73/19/561917319.db2.gz QDZUHUOQKXBJJV-DUYOMTSISA-N -1 3 513.723 4.543 1 0 KJAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)c1ccc(OC)cc1)C(C)(C)c1ccccc1 ZINC000028365298 561917484 /nfs/dbraw/zinc/91/74/84/561917484.db2.gz DEHTXISWSKPEEP-VCXUBWRJSA-N -1 3 565.755 4.537 1 0 KJAFHM O=C(CN(CCCNc1ccnc2cc(Cl)ccc21)C(=O)c1ccc(O)cc1[O-])NC1CCCCC1 ZINC000028368379 561917910 /nfs/dbraw/zinc/91/79/10/561917910.db2.gz POLJHMWIAMOHOG-UHFFFAOYSA-N -1 3 511.022 4.693 1 0 KJAFHM CN1CCN(CCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028389235 561921910 /nfs/dbraw/zinc/92/19/10/561921910.db2.gz MMCCUBIFCATHKP-UHFFFAOYSA-N -1 3 540.007 4.872 1 0 KJAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000028397138 561923251 /nfs/dbraw/zinc/92/32/51/561923251.db2.gz HMKGRLPMFXNGLP-ZYRIPLEJSA-N -1 3 541.655 4.616 1 0 KJAFHM CN[C@H](C(=O)N[C@@H](CC(C)(C)c1ccc(OC)cc1)C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)c1ccccc1 ZINC000028455681 561923560 /nfs/dbraw/zinc/92/35/60/561923560.db2.gz ZMKHEXSNQAYMQN-DHEYRDCKSA-N -1 3 579.782 4.927 1 0 KJAFHM Cc1cc(COc2ccc([C@]3(N4CCN(CCCc5ccccc5)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028475843 561927982 /nfs/dbraw/zinc/92/79/82/561927982.db2.gz WOGNSQDLIXXYFU-UHFFFAOYSA-N -1 3 577.685 4.774 1 0 KJAFHM Cc1cc(COc2ccc([C@@]3(N4CCN(CCCc5ccccc5)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028475843 561927979 /nfs/dbraw/zinc/92/79/79/561927979.db2.gz WOGNSQDLIXXYFU-UHFFFAOYSA-N -1 3 577.685 4.774 1 0 KJAFHM O=S(=O)([N-]C1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F ZINC000028523407 561930118 /nfs/dbraw/zinc/93/01/18/561930118.db2.gz JJQLRTKUCLCIPR-UHFFFAOYSA-N -1 3 545.381 4.993 1 0 KJAFHM O=C([O-])[C@@H](CN1CCC(OC2c3ccccc3CCc3ccccc32)CC1)NC(=O)OCc1ccccc1 ZINC000028526010 561931850 /nfs/dbraw/zinc/93/18/50/561931850.db2.gz KJLOHSGXUVVIEV-MUUNZHRXSA-N -1 3 514.622 4.735 1 0 KJAFHM C[C@@H]1CN([C@@H](c2cccc(F)c2)c2ccc3c(c2)CN(C(=O)CC(=O)[O-])CC3)[C@@H](C)CN1Cc1ccccc1 ZINC000028568814 561937486 /nfs/dbraw/zinc/93/74/86/561937486.db2.gz WTGKYZYWRDFUSD-MODXFSQWSA-N -1 3 529.656 4.869 1 0 KJAFHM COc1cccc([C@@H](c2ccc3c(c2)CN(C(=O)CC(=O)[O-])CC3)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028570713 561939052 /nfs/dbraw/zinc/93/90/52/561939052.db2.gz MHANKFGOUIJXMB-CBUPUIKESA-N -1 3 541.692 4.739 1 0 KJAFHM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000028655848 561946817 /nfs/dbraw/zinc/94/68/17/561946817.db2.gz HPXBSMGSDZHMIW-UHFFFAOYSA-N -1 3 542.644 4.647 1 0 KJAFHM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000028655848 561946816 /nfs/dbraw/zinc/94/68/16/561946816.db2.gz HPXBSMGSDZHMIW-UHFFFAOYSA-N -1 3 542.644 4.647 1 0 KJAFHM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(Cc3nn[n-]n3)c2)C1=O ZINC000028655854 561946832 /nfs/dbraw/zinc/94/68/32/561946832.db2.gz RTINXANTUWQPRL-UHFFFAOYSA-N -1 3 556.671 4.571 1 0 KJAFHM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)C1=O ZINC000028655854 561946830 /nfs/dbraw/zinc/94/68/30/561946830.db2.gz RTINXANTUWQPRL-UHFFFAOYSA-N -1 3 556.671 4.571 1 0 KJAFHM Cc1cc(C(=O)NC2CCCC2)cc2nc(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)[n-]c21 ZINC000028703687 561947888 /nfs/dbraw/zinc/94/78/88/561947888.db2.gz VOEZJKBTZPTQLU-JOCHJYFZSA-N -1 3 506.006 4.698 1 0 KJAFHM Cc1cc(C(=O)NC2CCCC2)cc2[n-]c(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)nc21 ZINC000028703687 561947886 /nfs/dbraw/zinc/94/78/86/561947886.db2.gz VOEZJKBTZPTQLU-JOCHJYFZSA-N -1 3 506.006 4.698 1 0 KJAFHM Cc1cc(C(=O)NC2CCCC2)cc2nc(-c3c(=O)[nH]ccc3NC[C@H](O)c3cccc(Cl)c3)[n-]c21 ZINC000028703689 561947913 /nfs/dbraw/zinc/94/79/13/561947913.db2.gz VOEZJKBTZPTQLU-QFIPXVFZSA-N -1 3 506.006 4.698 1 0 KJAFHM Cc1cc(C(=O)NC2CCCC2)cc2[n-]c(-c3c(=O)[nH]ccc3NC[C@H](O)c3cccc(Cl)c3)nc21 ZINC000028703689 561947912 /nfs/dbraw/zinc/94/79/12/561947912.db2.gz VOEZJKBTZPTQLU-QFIPXVFZSA-N -1 3 506.006 4.698 1 0 KJAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(NC(=O)c3ccc(NCCN(C)C)nc3)c2n1C ZINC000028710604 561951500 /nfs/dbraw/zinc/95/15/00/561951500.db2.gz YSEWILMTTPWCIO-UHFFFAOYSA-N -1 3 635.791 4.729 1 0 KJAFHM CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[n-]n5)cc4)c3c2)C(C)(C)CC1=O ZINC000028754783 561955296 /nfs/dbraw/zinc/95/52/96/561955296.db2.gz CSAOSHQXKOMPML-UHFFFAOYSA-N -1 3 601.715 4.860 1 0 KJAFHM CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nnn[n-]5)cc4)c3c2)C(C)(C)CC1=O ZINC000028754783 561955295 /nfs/dbraw/zinc/95/52/95/561955295.db2.gz CSAOSHQXKOMPML-UHFFFAOYSA-N -1 3 601.715 4.860 1 0 KJAFHM C[C@@H]1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1 ZINC000028755415 561955486 /nfs/dbraw/zinc/95/54/86/561955486.db2.gz PZMJWHUFTIZZGX-QGZVFWFLSA-N -1 3 502.582 4.669 1 0 KJAFHM C[C@@H]1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2c1 ZINC000028755415 561955485 /nfs/dbraw/zinc/95/54/85/561955485.db2.gz PZMJWHUFTIZZGX-QGZVFWFLSA-N -1 3 502.582 4.669 1 0 KJAFHM C[C@H]1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1 ZINC000028755417 561955481 /nfs/dbraw/zinc/95/54/81/561955481.db2.gz PZMJWHUFTIZZGX-KRWDZBQOSA-N -1 3 502.582 4.669 1 0 KJAFHM C[C@H]1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2c1 ZINC000028755417 561955480 /nfs/dbraw/zinc/95/54/80/561955480.db2.gz PZMJWHUFTIZZGX-KRWDZBQOSA-N -1 3 502.582 4.669 1 0 KJAFHM CCCCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)C[C@@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028755586 561955669 /nfs/dbraw/zinc/95/56/69/561955669.db2.gz WZWAEQALYFHGBP-QFIPXVFZSA-N -1 3 603.731 4.935 1 0 KJAFHM CCCCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)C[C@@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028755586 561955667 /nfs/dbraw/zinc/95/56/67/561955667.db2.gz WZWAEQALYFHGBP-QFIPXVFZSA-N -1 3 603.731 4.935 1 0 KJAFHM CCCCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)C[C@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028755588 561955696 /nfs/dbraw/zinc/95/56/96/561955696.db2.gz WZWAEQALYFHGBP-JOCHJYFZSA-N -1 3 603.731 4.935 1 0 KJAFHM CCCCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)C[C@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028755588 561955695 /nfs/dbraw/zinc/95/56/95/561955695.db2.gz WZWAEQALYFHGBP-JOCHJYFZSA-N -1 3 603.731 4.935 1 0 KJAFHM Cc1cc(=O)[nH]nc1-c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1 ZINC000028756264 561956212 /nfs/dbraw/zinc/95/62/12/561956212.db2.gz KIDSBZQLILXVNO-UHFFFAOYSA-N -1 3 500.566 4.868 1 0 KJAFHM Cc1cc(=O)[nH]nc1-c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2c1 ZINC000028756264 561956211 /nfs/dbraw/zinc/95/62/11/561956211.db2.gz KIDSBZQLILXVNO-UHFFFAOYSA-N -1 3 500.566 4.868 1 0 KJAFHM COC(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[n-]n5)cc4)c3c2)[C@@H](C)CC1=O ZINC000028756877 561956640 /nfs/dbraw/zinc/95/66/40/561956640.db2.gz UTTGGRMHROJJKK-IBGZPJMESA-N -1 3 574.645 4.555 1 0 KJAFHM COC(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nnn[n-]5)cc4)c3c2)[C@@H](C)CC1=O ZINC000028756877 561956638 /nfs/dbraw/zinc/95/66/38/561956638.db2.gz UTTGGRMHROJJKK-IBGZPJMESA-N -1 3 574.645 4.555 1 0 KJAFHM COC(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[n-]n5)cc4)c3c2)[C@H](C)CC1=O ZINC000028756879 561956626 /nfs/dbraw/zinc/95/66/26/561956626.db2.gz UTTGGRMHROJJKK-LJQANCHMSA-N -1 3 574.645 4.555 1 0 KJAFHM COC(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nnn[n-]5)cc4)c3c2)[C@H](C)CC1=O ZINC000028756879 561956624 /nfs/dbraw/zinc/95/66/24/561956624.db2.gz UTTGGRMHROJJKK-LJQANCHMSA-N -1 3 574.645 4.555 1 0 KJAFHM CCCCc1nc2ccc(C3=NNC(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028756978 561956635 /nfs/dbraw/zinc/95/66/35/561956635.db2.gz LUKCOLKPGAOONG-UHFFFAOYSA-N -1 3 504.598 4.888 1 0 KJAFHM CCCCc1nc2ccc(C3=NNC(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028756978 561956633 /nfs/dbraw/zinc/95/66/33/561956633.db2.gz LUKCOLKPGAOONG-UHFFFAOYSA-N -1 3 504.598 4.888 1 0 KJAFHM CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2C(=O)[O-])CC1 ZINC000028895542 561978933 /nfs/dbraw/zinc/97/89/33/561978933.db2.gz IKYQDOYMJKGXGP-NDEPHWFRSA-N -1 3 584.138 4.510 1 0 KJAFHM Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(C)C)CC[C@@H]3c3n[n-]c(=S)[nH]3)cc2)c2ccccc2n1 ZINC000028903268 561980200 /nfs/dbraw/zinc/98/02/00/561980200.db2.gz NBEQYTSXQZAREJ-UKILVPOCSA-N -1 3 516.671 4.525 1 0 KJAFHM CC(C)Oc1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979674 561988224 /nfs/dbraw/zinc/98/82/24/561988224.db2.gz YPWKZNGPZDIFTD-CMQXMCPJSA-N -1 3 518.060 4.946 1 0 KJAFHM CC(C)Oc1ccccc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979679 561988271 /nfs/dbraw/zinc/98/82/71/561988271.db2.gz YPWKZNGPZDIFTD-PKHIPVCBSA-N -1 3 518.060 4.946 1 0 KJAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)c(F)c1 ZINC000029125843 561998093 /nfs/dbraw/zinc/99/80/93/561998093.db2.gz ZZVWQMSFFZRGAS-OAQYLSRUSA-N -1 3 571.479 4.677 1 0 KJAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)c(F)c1 ZINC000029125844 561998101 /nfs/dbraw/zinc/99/81/01/561998101.db2.gz ZZVWQMSFFZRGAS-NRFANRHFSA-N -1 3 571.479 4.677 1 0 KJAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2=O)c(F)c1 ZINC000029125847 561998089 /nfs/dbraw/zinc/99/80/89/561998089.db2.gz MIQFESFMXRUIHU-HXUWFJFHSA-N -1 3 571.479 4.677 1 0 KJAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2=O)c(F)c1 ZINC000029125848 561998086 /nfs/dbraw/zinc/99/80/86/561998086.db2.gz MIQFESFMXRUIHU-FQEVSTJZSA-N -1 3 571.479 4.677 1 0 KJAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2=O)c(F)c1 ZINC000029125895 561998211 /nfs/dbraw/zinc/99/82/11/561998211.db2.gz YARYRLPMIVIQTR-OAQYLSRUSA-N -1 3 571.479 4.677 1 0 KJAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2=O)c(F)c1 ZINC000029125896 561998165 /nfs/dbraw/zinc/99/81/65/561998165.db2.gz YARYRLPMIVIQTR-NRFANRHFSA-N -1 3 571.479 4.677 1 0 KJAFHM Cn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O ZINC000029126852 561999010 /nfs/dbraw/zinc/99/90/10/561999010.db2.gz ZPHXRUNWRGJFDV-UHFFFAOYSA-N -1 3 518.013 4.896 1 0 KJAFHM O=C1[N-]C(=O)c2c1c1c(cc2-c2ccccc2Cl)[nH]c2cc(CCCCN3CCOCC3)c(O)cc21 ZINC000029126938 561999157 /nfs/dbraw/zinc/99/91/57/561999157.db2.gz XGLYUVWSAYIXMW-UHFFFAOYSA-N -1 3 503.986 4.886 1 0 KJAFHM CN1CCN(Cc2ccc(-c3ccc(CCC(=O)c4ncc(-c5cccc(C(=O)[O-])n5)o4)cc3)cc2)CC1 ZINC000029136082 562004678 /nfs/dbraw/zinc/00/46/78/562004678.db2.gz JMNFMTDESAZLRL-UHFFFAOYSA-N -1 3 510.594 4.665 1 0 KJAFHM CCc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)N=C2c1ccccc1F ZINC000029227379 562008656 /nfs/dbraw/zinc/00/86/56/562008656.db2.gz FIVXECIRGRXOPV-XUTHNDMESA-N -1 3 649.731 4.549 1 0 KJAFHM CCc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)N=C2c1ccccc1F ZINC000029227379 562008655 /nfs/dbraw/zinc/00/86/55/562008655.db2.gz FIVXECIRGRXOPV-XUTHNDMESA-N -1 3 649.731 4.549 1 0 KJAFHM CCc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)N=C2c1ccccc1F ZINC000029227385 562008664 /nfs/dbraw/zinc/00/86/64/562008664.db2.gz FIVXECIRGRXOPV-RLRDMVSYSA-N -1 3 649.731 4.549 1 0 KJAFHM CCc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)N=C2c1ccccc1F ZINC000029227385 562008663 /nfs/dbraw/zinc/00/86/63/562008663.db2.gz FIVXECIRGRXOPV-RLRDMVSYSA-N -1 3 649.731 4.549 1 0 KJAFHM O=C(CN1c2c(Cl)cccc2C(c2ccccc2F)=N[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O)N1CC2CCC(CC2)C1 ZINC000029235664 562009651 /nfs/dbraw/zinc/00/96/51/562009651.db2.gz PZXHJJGRNCAFKD-LDBRDZDUSA-N -1 3 656.122 4.640 1 0 KJAFHM O=C(CN1c2c(Cl)cccc2C(c2ccccc2F)=N[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O)N1CC2CCC(CC2)C1 ZINC000029235664 562009649 /nfs/dbraw/zinc/00/96/49/562009649.db2.gz PZXHJJGRNCAFKD-LDBRDZDUSA-N -1 3 656.122 4.640 1 0 KJAFHM O=C(CN1c2c(Cl)cccc2C(c2ccccc2F)=N[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O)N1CC2CCC(CC2)C1 ZINC000029235671 562009626 /nfs/dbraw/zinc/00/96/26/562009626.db2.gz PZXHJJGRNCAFKD-ANADYHLQSA-N -1 3 656.122 4.640 1 0 KJAFHM O=C(CN1c2c(Cl)cccc2C(c2ccccc2F)=N[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O)N1CC2CCC(CC2)C1 ZINC000029235671 562009624 /nfs/dbraw/zinc/00/96/24/562009624.db2.gz PZXHJJGRNCAFKD-ANADYHLQSA-N -1 3 656.122 4.640 1 0 KJAFHM CCCCc1nc2ccc([C@]3(C(=O)N(C)C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029408359 562021285 /nfs/dbraw/zinc/02/12/85/562021285.db2.gz KXPDQRRVSQYZSI-IJAHGLKVSA-N -1 3 618.742 4.718 1 0 KJAFHM CCCCc1nc2ccc([C@]3(C(=O)N(C)C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029408359 562021284 /nfs/dbraw/zinc/02/12/84/562021284.db2.gz KXPDQRRVSQYZSI-IJAHGLKVSA-N -1 3 618.742 4.718 1 0 KJAFHM CC(C)(C)C(=O)OCc1cc(C(C)(C)C)ccc1CNC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000029412655 562022043 /nfs/dbraw/zinc/02/20/43/562022043.db2.gz HDOLRQHSHMAOBX-UHFFFAOYSA-N -1 3 537.723 4.748 1 0 KJAFHM CCCCc1nc2ccc([C@]3(CO)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029414105 562022562 /nfs/dbraw/zinc/02/25/62/562022562.db2.gz WJQJJFMGOQVDGK-INJOXJOKSA-N -1 3 577.689 4.622 1 0 KJAFHM CCCCc1nc2ccc([C@]3(CO)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029414105 562022561 /nfs/dbraw/zinc/02/25/61/562022561.db2.gz WJQJJFMGOQVDGK-INJOXJOKSA-N -1 3 577.689 4.622 1 0 KJAFHM CCCCc1nc2ccc([C@]3(C(=O)OC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029414109 562022571 /nfs/dbraw/zinc/02/25/71/562022571.db2.gz NFNZIFBQSCAAPJ-GZGVDWRWSA-N -1 3 605.699 4.803 1 0 KJAFHM CCCCc1nc2ccc([C@]3(C(=O)OC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029414109 562022570 /nfs/dbraw/zinc/02/25/70/562022570.db2.gz NFNZIFBQSCAAPJ-GZGVDWRWSA-N -1 3 605.699 4.803 1 0 KJAFHM CCCCc1nc2ccc([C@@H]3[C@@H]4C(=O)CC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029480301 562027089 /nfs/dbraw/zinc/02/70/89/562027089.db2.gz TYECQFDFMUOJRO-FAOMPSFFSA-N -1 3 575.673 4.900 1 0 KJAFHM CCCCc1nc2ccc([C@@H]3[C@@H]4C(=O)CC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029480301 562027088 /nfs/dbraw/zinc/02/70/88/562027088.db2.gz TYECQFDFMUOJRO-FAOMPSFFSA-N -1 3 575.673 4.900 1 0 KJAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)CC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029483370 562027763 /nfs/dbraw/zinc/02/77/63/562027763.db2.gz TYECQFDFMUOJRO-NBZVVWIMSA-N -1 3 575.673 4.900 1 0 KJAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)CC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029483370 562027761 /nfs/dbraw/zinc/02/77/61/562027761.db2.gz TYECQFDFMUOJRO-NBZVVWIMSA-N -1 3 575.673 4.900 1 0 KJAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)C[C@@H]2C1CCCCC1 ZINC000029558467 562032567 /nfs/dbraw/zinc/03/25/67/562032567.db2.gz DNKPXDLQYBBMPC-JWQCQUIFSA-N -1 3 572.714 4.681 1 0 KJAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)C[C@@H]2C1CCCCC1 ZINC000029558467 562032565 /nfs/dbraw/zinc/03/25/65/562032565.db2.gz DNKPXDLQYBBMPC-JWQCQUIFSA-N -1 3 572.714 4.681 1 0 KJAFHM COc1ccc(NC(=O)c2cc(Cl)cc([O-])c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1 ZINC000034314487 562038734 /nfs/dbraw/zinc/03/87/34/562038734.db2.gz OQTOLUNCQBFIQW-UHFFFAOYSA-N -1 3 509.006 4.701 1 0 KJAFHM COc1ccc(-n2nc3c([N-]C(=O)C(c4ccccc4)c4ccccc4)nc4ccccc4n3c2=O)cc1 ZINC000034800783 562041002 /nfs/dbraw/zinc/04/10/02/562041002.db2.gz BVZYBSKEJKEJOJ-UHFFFAOYSA-N -1 3 501.546 4.813 1 0 KJAFHM O=C1[N-]c2ccc(-c3cncc(OC[C@H](Cc4c[nH]c5ccccc45)Nc4ccc5c(c4)C(=O)C(=O)N5)c3)cc2C1=O ZINC000034803860 562042677 /nfs/dbraw/zinc/04/26/77/562042677.db2.gz BJBYRXGOEDKOAM-NRFANRHFSA-N -1 3 557.566 4.602 1 0 KJAFHM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c([O-])c2c1 ZINC000034860624 562043796 /nfs/dbraw/zinc/04/37/96/562043796.db2.gz SLMDRLHAAXCTAB-UHFFFAOYSA-N -1 3 500.020 4.627 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000034946462 562044026 /nfs/dbraw/zinc/04/40/26/562044026.db2.gz DRAFXHUPVAQHOY-HNNXBMFYSA-N -1 3 501.546 4.626 1 0 KJAFHM O=C([C@@H]([N-]S(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccc2ccccc2c1)N1CCC(CCF)CC1 ZINC000036093438 562047167 /nfs/dbraw/zinc/04/71/67/562047167.db2.gz MCKIKXFHLVUSJW-NYDCQLBNSA-N -1 3 604.748 4.868 1 0 KJAFHM CCCCc1nc2ccc([C@@H](C)NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222120 562051657 /nfs/dbraw/zinc/05/16/57/562051657.db2.gz ZVNBXNXLGGJRQZ-LJQANCHMSA-N -1 3 521.625 4.832 1 0 KJAFHM CCCCc1nc2ccc([C@@H](C)NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222120 562051656 /nfs/dbraw/zinc/05/16/56/562051656.db2.gz ZVNBXNXLGGJRQZ-LJQANCHMSA-N -1 3 521.625 4.832 1 0 KJAFHM CCCCc1nc2ccc([C@H](C)NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222122 562051639 /nfs/dbraw/zinc/05/16/39/562051639.db2.gz ZVNBXNXLGGJRQZ-IBGZPJMESA-N -1 3 521.625 4.832 1 0 KJAFHM CCCCc1nc2ccc([C@H](C)NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222122 562051636 /nfs/dbraw/zinc/05/16/36/562051636.db2.gz ZVNBXNXLGGJRQZ-IBGZPJMESA-N -1 3 521.625 4.832 1 0 KJAFHM CN(C)Cc1n[n-]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3OC(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000036323604 562055210 /nfs/dbraw/zinc/05/52/10/562055210.db2.gz GXDHHASFXFRRTG-CNVLFFCLSA-N -1 3 549.569 4.768 1 0 KJAFHM CN(C)Cc1n[n-]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3C(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000036323630 562055256 /nfs/dbraw/zinc/05/52/56/562055256.db2.gz RHLFRQYCXXEYMH-CNVLFFCLSA-N -1 3 533.570 4.888 1 0 KJAFHM Cc1ccc(S(=O)(=O)N2CCN(c3nc(N(C)c4cc(Cl)ccc4[O-])nc4ccccc43)CC2)cc1 ZINC000036382626 562059876 /nfs/dbraw/zinc/05/98/76/562059876.db2.gz XCDFGTNCOQTGML-UHFFFAOYSA-N -1 3 524.046 4.576 1 0 KJAFHM Cc1sc(C(=O)CCc2cc(C)c(OC[C@H](O)CN3CC(C(=O)[O-])C3)c(C)c2)c2c1CC(C)(C)CC2 ZINC000036478126 562060928 /nfs/dbraw/zinc/06/09/28/562060928.db2.gz YRZPYAGPAYPWKT-JOCHJYFZSA-N -1 3 513.700 4.760 1 0 KJAFHM Cc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CN3CC(C(=O)[O-])C3)c(C)c2)c2c1CC(C)(C)CC2 ZINC000036478127 562060998 /nfs/dbraw/zinc/06/09/98/562060998.db2.gz YRZPYAGPAYPWKT-QFIPXVFZSA-N -1 3 513.700 4.760 1 0 KJAFHM Cc1sc(C(=O)CCc2cc(C)c(OC[C@H](O)CN3CC(C(=O)[O-])C3)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000036479218 562060941 /nfs/dbraw/zinc/06/09/41/562060941.db2.gz KGKIVXCNBXLMOF-QFZWGZQFSA-N -1 3 511.684 4.541 1 0 KJAFHM Cc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CN3CC(C(=O)[O-])C3)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000036479219 562060968 /nfs/dbraw/zinc/06/09/68/562060968.db2.gz KGKIVXCNBXLMOF-NIRIFSCTSA-N -1 3 511.684 4.541 1 0 KJAFHM CN(CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000038140988 562063171 /nfs/dbraw/zinc/06/31/71/562063171.db2.gz CEJNNUYHMGALHW-ISCCLHIJSA-N -1 3 544.142 4.944 1 0 KJAFHM COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C2=C([O-])c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000038159384 562070421 /nfs/dbraw/zinc/07/04/21/562070421.db2.gz STFHCRUNLPKGNS-HNYWZHMISA-N -1 3 614.688 4.959 1 0 KJAFHM COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)C2=C([O-])c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000038159385 562070452 /nfs/dbraw/zinc/07/04/52/562070452.db2.gz STFHCRUNLPKGNS-OMEOZLQRSA-N -1 3 614.688 4.959 1 0 KJAFHM CN1CCCN(c2ccc(C(=O)Nc3c([O-])cc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000038385033 562071695 /nfs/dbraw/zinc/07/16/95/562071695.db2.gz NPXOVTDQSPOCHS-UHFFFAOYSA-N -1 3 514.413 4.741 1 0 KJAFHM O=c1cccc(-c2cccc3c2S(=O)(=O)N=C3c2nc(Cc3ccc(F)cc3)c3ccccc3c2[O-])[nH]1 ZINC000040379947 562073457 /nfs/dbraw/zinc/07/34/57/562073457.db2.gz RZQLYLWEZQKTSV-UHFFFAOYSA-N -1 3 511.534 4.565 1 0 KJAFHM O=C(CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1)Nc1ccccc1 ZINC000040402136 562074720 /nfs/dbraw/zinc/07/47/20/562074720.db2.gz AONMDRYJJICQDP-FQEVSTJZSA-N -1 3 506.411 4.698 1 0 KJAFHM O=C(CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1)Nc1ccccc1 ZINC000040402139 562074723 /nfs/dbraw/zinc/07/47/23/562074723.db2.gz AONMDRYJJICQDP-HXUWFJFHSA-N -1 3 506.411 4.698 1 0 KJAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)ccc3n(CCN3CCOCC3)c1cc2-c1c(Cl)cccc1Cl ZINC000040423669 562076317 /nfs/dbraw/zinc/07/63/17/562076317.db2.gz CHWPHNBDPFZHBI-UHFFFAOYSA-N -1 3 510.377 4.690 1 0 KJAFHM O=c1[n-]c(=O)c2c([nH]1)Nc1c(c(-c3ccccc3)nn1-c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000040429558 562076775 /nfs/dbraw/zinc/07/67/75/562076775.db2.gz PZNCTBLKMALIJE-LJQANCHMSA-N -1 3 512.367 4.916 1 0 KJAFHM O=c1[n-]c(=O)c2c([nH]1)Nc1c(c(-c3ccccc3)nn1-c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000040429560 562076771 /nfs/dbraw/zinc/07/67/71/562076771.db2.gz PZNCTBLKMALIJE-IBGZPJMESA-N -1 3 512.367 4.916 1 0 KJAFHM CC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000040465656 562077169 /nfs/dbraw/zinc/07/71/69/562077169.db2.gz GGXLVGPUODIYTF-RUZDIDTESA-N -1 3 508.626 4.934 1 0 KJAFHM CC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000040465656 562077168 /nfs/dbraw/zinc/07/71/68/562077168.db2.gz GGXLVGPUODIYTF-RUZDIDTESA-N -1 3 508.626 4.934 1 0 KJAFHM O=c1ccc(-c2cccc3c2S(=O)(=O)N=C3c2nc(Cc3ccc(F)cc3)c3ccccc3c2[O-])c[nH]1 ZINC000040875270 562082036 /nfs/dbraw/zinc/08/20/36/562082036.db2.gz FQDXWHYDYDNVKD-UHFFFAOYSA-N -1 3 511.534 4.565 1 0 KJAFHM CCCCCCNC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCCCC ZINC000040913811 562083626 /nfs/dbraw/zinc/08/36/26/562083626.db2.gz RYZXTLZAIMGNES-FQEVSTJZSA-N -1 3 522.539 4.814 1 0 KJAFHM CCCCCCNC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCCCC ZINC000040913813 562083658 /nfs/dbraw/zinc/08/36/58/562083658.db2.gz RYZXTLZAIMGNES-HXUWFJFHSA-N -1 3 522.539 4.814 1 0 KJAFHM S=c1[n-]nc(CO[C@@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000040915198 562083917 /nfs/dbraw/zinc/08/39/17/562083917.db2.gz LEBLAZFVJYLAIE-QFIPXVFZSA-N -1 3 504.019 4.745 1 0 KJAFHM S=c1[n-]nc(CO[C@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000040915200 562083923 /nfs/dbraw/zinc/08/39/23/562083923.db2.gz LEBLAZFVJYLAIE-JOCHJYFZSA-N -1 3 504.019 4.745 1 0 KJAFHM COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(-c4nnn[n-]4)s3)c2cc1OC ZINC000040936431 562085247 /nfs/dbraw/zinc/08/52/47/562085247.db2.gz UFVFOXCVVIBWKI-UHFFFAOYSA-N -1 3 502.478 4.882 1 0 KJAFHM C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@H](OC(=O)c4ccc([O-])cc4)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000042804754 562088953 /nfs/dbraw/zinc/08/89/53/562088953.db2.gz BTSDTWZLDJUDMR-VICZHGOXSA-N -1 3 554.636 4.588 1 0 KJAFHM CO[C@H]1C[C@H](C)Cc2cc(cc(Cl)c2[O-])NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O ZINC000042851993 581097702 /nfs/dbraw/zinc/09/77/02/581097702.db2.gz BNJLLGCOAADABB-WCTXHBHRSA-N -1 3 553.096 4.730 1 0 KJAFHM O=C(C=C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 ZINC000043074620 562645642 /nfs/dbraw/zinc/64/56/42/562645642.db2.gz ADGYFBWBQIOUQC-RUZDIDTESA-N -1 3 522.020 4.891 1 0 KJAFHM Cc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)c([O-])c1 ZINC000043119220 562646021 /nfs/dbraw/zinc/64/60/21/562646021.db2.gz YRRCANFVAJKRKS-AREMUKBSSA-N -1 3 501.602 4.546 1 0 KJAFHM O=C([O-])C[C@@H](NC(=O)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043120053 562646070 /nfs/dbraw/zinc/64/60/70/562646070.db2.gz DHUWTHTVTADNHR-XMMPIXPASA-N -1 3 514.548 4.976 1 0 KJAFHM O=C([O-])C[C@H](NC(=O)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043120054 562646061 /nfs/dbraw/zinc/64/60/61/562646061.db2.gz DHUWTHTVTADNHR-DEOSSOPVSA-N -1 3 514.548 4.976 1 0 KJAFHM COCCCNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc32)c1Cl ZINC000043524465 562649053 /nfs/dbraw/zinc/64/90/53/562649053.db2.gz HRKDSQVJCSBPBG-UHFFFAOYSA-N -1 3 554.496 4.639 1 0 KJAFHM CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3ccc([O-])cc3)s1)n2CCC(N)=O ZINC000043663865 562650696 /nfs/dbraw/zinc/65/06/96/562650696.db2.gz XXNTWFWDYGENJC-UKTHLTGXSA-N -1 3 565.655 5.378 1 0 KJAFHM CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(C(=O)N[C@H](C(=O)NCc2ccccc2CC(=O)[O-])[C@H](C)CC)c1 ZINC000043967568 562651318 /nfs/dbraw/zinc/65/13/18/562651318.db2.gz SPPINDVOIFWTKM-UBUDTRSQSA-N -1 3 616.759 4.527 1 0 KJAFHM Cc1c(-c2cccc(OCCC(=O)[O-])c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000044307722 562654059 /nfs/dbraw/zinc/65/40/59/562654059.db2.gz GXTUXLBDSIZUPL-QHCPKHFHSA-N -1 3 603.544 4.884 1 0 KJAFHM CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(C(=O)N[C@@H](CC(C)C)C(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC000044351394 562654639 /nfs/dbraw/zinc/65/46/39/562654639.db2.gz CCNODNAVGZNWLA-CONSDPRKSA-N -1 3 616.759 4.527 1 0 KJAFHM CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCC(F)(F)CC4)cc3)ncc2c1=O ZINC000044358389 562655329 /nfs/dbraw/zinc/65/53/29/562655329.db2.gz UFMVGZKURDIVSO-UHFFFAOYSA-N -1 3 574.632 4.578 1 0 KJAFHM CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000044405350 562656674 /nfs/dbraw/zinc/65/66/74/562656674.db2.gz ARJVZLAQUOSIFR-RRPNLBNLSA-N -1 3 567.733 4.585 1 0 KJAFHM CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(C(=O)N[C@@H](CC(C)C)C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC000044405753 562656755 /nfs/dbraw/zinc/65/67/55/562656755.db2.gz BBNDCQRGQPKCMU-KYJUHHDHSA-N -1 3 602.732 4.598 1 0 KJAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)c(OCCCn4cccc4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000044430661 562657585 /nfs/dbraw/zinc/65/75/85/562657585.db2.gz WPMKFUJDZWDNDB-UHFFFAOYSA-N -1 3 529.980 4.967 1 0 KJAFHM CCCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)cc2)CC1 ZINC000045169026 562658195 /nfs/dbraw/zinc/65/81/95/562658195.db2.gz RUFSSMULOSNHIF-UHFFFAOYSA-N -1 3 513.063 4.925 1 0 KJAFHM CCCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000045169180 562658235 /nfs/dbraw/zinc/65/82/35/562658235.db2.gz MUKDVROGPAKOFH-UHFFFAOYSA-N -1 3 513.063 4.925 1 0 KJAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NCCN1CCCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045188660 562658360 /nfs/dbraw/zinc/65/83/60/562658360.db2.gz BNESBUHMZRELFV-VWLOTQADSA-N -1 3 526.464 4.919 1 0 KJAFHM COc1ccc(-c2cc(C(=O)N[C@@H](CC3CCCCC3)C(=O)NCCN3CCCCC3)ccc2[O-])cc1 ZINC000045201302 562659054 /nfs/dbraw/zinc/65/90/54/562659054.db2.gz MRWFYQWAKADTGX-MHZLTWQESA-N -1 3 507.675 4.739 1 0 KJAFHM CC(=O)Nc1cccc(C(=O)Nc2nc3cc(-c4cc(=O)[n-]c(Nc5ccccc5Cl)n4)ccc3[nH]2)c1 ZINC000045202231 562659117 /nfs/dbraw/zinc/65/91/17/562659117.db2.gz HWWDMATVTWRNRO-UHFFFAOYSA-N -1 3 513.945 4.921 1 0 KJAFHM CCC(CC)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccnn1S(=O)(=O)c1ccc(C)cc1 ZINC000045300558 562660441 /nfs/dbraw/zinc/66/04/41/562660441.db2.gz YZPHDBGOVWZRFN-FQEVSTJZSA-N -1 3 502.083 4.599 1 0 KJAFHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccnn1S(=O)(=O)c1ccc(C)cc1 ZINC000045300560 562660434 /nfs/dbraw/zinc/66/04/34/562660434.db2.gz YZPHDBGOVWZRFN-HXUWFJFHSA-N -1 3 502.083 4.599 1 0 KJAFHM COc1ccnc(NCC2CCN(c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)CC2)c1 ZINC000045336444 562661379 /nfs/dbraw/zinc/66/13/79/562661379.db2.gz OPEFUTCWWOFWSN-MHZLTWQESA-N -1 3 530.669 4.770 1 0 KJAFHM COc1ccnc(NCC2CCN(c3ccc(C[C@@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)CC2)c1 ZINC000045336446 562661407 /nfs/dbraw/zinc/66/14/07/562661407.db2.gz OPEFUTCWWOFWSN-HHHXNRCGSA-N -1 3 530.669 4.770 1 0 KJAFHM O=S(=O)(c1ccc(Cl)cc1)N(CCc1cc2ccccc2cn1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000049045530 562663648 /nfs/dbraw/zinc/66/36/48/562663648.db2.gz KPDBGOIVTOJGHM-UHFFFAOYSA-N -1 3 505.003 4.502 1 0 KJAFHM O=S(=O)(c1ccc(Cl)cc1)N(CCc1cc2ccccc2cn1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000049045530 562663647 /nfs/dbraw/zinc/66/36/47/562663647.db2.gz KPDBGOIVTOJGHM-UHFFFAOYSA-N -1 3 505.003 4.502 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)cc1N1CCN(CC2CC2)CC1 ZINC000049605214 562665539 /nfs/dbraw/zinc/66/55/39/562665539.db2.gz OQCBSYIOBZKWMY-UHFFFAOYSA-N -1 3 602.679 4.977 1 0 KJAFHM Cn1c2ccc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)cc2nc1[N-]c1nnc(C2CC2)s1 ZINC000049605408 562665856 /nfs/dbraw/zinc/66/58/56/562665856.db2.gz NRRQUJCIWDPFNO-UHFFFAOYSA-N -1 3 547.670 4.868 1 0 KJAFHM CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)SCCOCCOCC)N([O-])C=O ZINC000049605444 562665908 /nfs/dbraw/zinc/66/59/08/562665908.db2.gz XODFMTBSYAEWKX-TZRRMPRUSA-N -1 3 600.848 4.734 1 0 KJAFHM O=C(NCCN1CCOCC1)c1csc([C@H]2CCCN(C(=O)c3ccc([O-])c(-c4cc(Cl)cc(Cl)c4)c3)C2)n1 ZINC000049605445 562665931 /nfs/dbraw/zinc/66/59/31/562665931.db2.gz LTJBNAXLYVVEID-IBGZPJMESA-N -1 3 589.545 4.904 1 0 KJAFHM O=C(NCCN1CCOCC1)c1csc([C@@H]2CCCN(C(=O)c3ccc([O-])c(-c4cc(Cl)cc(Cl)c4)c3)C2)n1 ZINC000049605446 562665933 /nfs/dbraw/zinc/66/59/33/562665933.db2.gz LTJBNAXLYVVEID-LJQANCHMSA-N -1 3 589.545 4.904 1 0 KJAFHM Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nc2ccccc2[n-]1 ZINC000049605626 562666161 /nfs/dbraw/zinc/66/61/61/562666161.db2.gz NJHBOQUHSQOEQQ-RCTKZWLUSA-N -1 3 654.771 4.800 1 0 KJAFHM Nc1c2cc(C(=O)Nc3cc(I)c([O-])c(I)c3)ccc2nc2c1CCCC2 ZINC000049605800 562666387 /nfs/dbraw/zinc/66/63/87/562666387.db2.gz VCRVVXCZBHTXQG-UHFFFAOYSA-N -1 3 585.183 4.863 1 0 KJAFHM CCCN1CCN(c2cc(S(=O)(=O)[N-]c3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)cc3)ccc2OC)CC1 ZINC000049626631 562667273 /nfs/dbraw/zinc/66/72/73/562667273.db2.gz JSLDGHOJKADTEH-UHFFFAOYSA-N -1 3 590.668 4.977 1 0 KJAFHM COc1ccc([C@@H](CCC[N-]S(=O)(=O)c2cn(C)c(C)n2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049670070 562668229 /nfs/dbraw/zinc/66/82/29/562668229.db2.gz ZCRXAIKJRXENCZ-FYBSXPHGSA-N -1 3 700.862 4.725 1 0 KJAFHM COc1ccc([C@@H](CCC[N-]S(=O)(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049670136 562668252 /nfs/dbraw/zinc/66/82/52/562668252.db2.gz ROMKSVQSGOXCBT-FUFSCUOVSA-N -1 3 687.819 4.979 1 0 KJAFHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049680154 562669096 /nfs/dbraw/zinc/66/90/96/562669096.db2.gz XXTPMBVPKVOGOB-FIPFOOKPSA-N -1 3 660.818 4.964 1 0 KJAFHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049680157 562669105 /nfs/dbraw/zinc/66/91/05/562669105.db2.gz XXTPMBVPKVOGOB-NEKDWFFYSA-N -1 3 660.818 4.964 1 0 KJAFHM CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N[C@H](c2cccc(F)c2)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000049695565 562670813 /nfs/dbraw/zinc/67/08/13/562670813.db2.gz TZDORXWTPVDOCX-OUMDNPPYSA-N -1 3 533.980 4.602 1 0 KJAFHM CCOC(=O)NCCSC(C)(C)[C@H](NC(=O)[C@H](Cc1cc2ccccc2s1)[C@H](CC)N([O-])C=O)C(=O)Nc1nccs1 ZINC000049710505 562671672 /nfs/dbraw/zinc/67/16/72/562671672.db2.gz VIPCPQUCMUHIBQ-FUPPJEDESA-N -1 3 635.834 4.524 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2cccc(Cl)c2)s1 ZINC000049739946 562673457 /nfs/dbraw/zinc/67/34/57/562673457.db2.gz ASARHVCSPUZKHN-RFBIWTDZSA-N -1 3 502.003 4.797 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2cccc(Cl)c2)s1 ZINC000049739946 562673456 /nfs/dbraw/zinc/67/34/56/562673456.db2.gz ASARHVCSPUZKHN-RFBIWTDZSA-N -1 3 502.003 4.797 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccccc2Br)s1 ZINC000049739955 562673481 /nfs/dbraw/zinc/67/34/81/562673481.db2.gz ZMACNGBZJCMAKN-RFBIWTDZSA-N -1 3 546.454 4.906 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2ccccc2Br)s1 ZINC000049739955 562673480 /nfs/dbraw/zinc/67/34/80/562673480.db2.gz ZMACNGBZJCMAKN-RFBIWTDZSA-N -1 3 546.454 4.906 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccc(Cl)cc2)s1 ZINC000049739961 562673491 /nfs/dbraw/zinc/67/34/91/562673491.db2.gz UTRXWAYKTZBXNE-RFBIWTDZSA-N -1 3 502.003 4.797 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2ccc(Cl)cc2)s1 ZINC000049739961 562673490 /nfs/dbraw/zinc/67/34/90/562673490.db2.gz UTRXWAYKTZBXNE-RFBIWTDZSA-N -1 3 502.003 4.797 1 0 KJAFHM O=C(c1ccccc1Cl)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746165 562674287 /nfs/dbraw/zinc/67/42/87/562674287.db2.gz ZMBNIOOXNAOASY-UHFFFAOYSA-N -1 3 587.041 4.775 1 0 KJAFHM O=C(c1cccc(Cl)c1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746167 562674276 /nfs/dbraw/zinc/67/42/76/562674276.db2.gz NXZLEGQRQRCEMR-UHFFFAOYSA-N -1 3 587.041 4.775 1 0 KJAFHM O=C(c1ccc(Cl)cc1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746309 562674392 /nfs/dbraw/zinc/67/43/92/562674392.db2.gz OJSUGALSWDZDPW-UHFFFAOYSA-N -1 3 587.041 4.775 1 0 KJAFHM CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC([N-]S(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)CC1 ZINC000049746467 562674415 /nfs/dbraw/zinc/67/44/15/562674415.db2.gz RGUYWJIIGGMBKL-UHFFFAOYSA-N -1 3 673.776 4.845 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2cccc(Br)c2)s1 ZINC000049748891 562674748 /nfs/dbraw/zinc/67/47/48/562674748.db2.gz CUVQQYZUXYIAFH-RFBIWTDZSA-N -1 3 546.454 4.906 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2cccc(Br)c2)s1 ZINC000049748891 562674747 /nfs/dbraw/zinc/67/47/47/562674747.db2.gz CUVQQYZUXYIAFH-RFBIWTDZSA-N -1 3 546.454 4.906 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccc(Br)cc2)s1 ZINC000049748911 562674740 /nfs/dbraw/zinc/67/47/40/562674740.db2.gz CUDGKYCBKWDODT-RFBIWTDZSA-N -1 3 546.454 4.906 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2ccc(Br)cc2)s1 ZINC000049748911 562674739 /nfs/dbraw/zinc/67/47/39/562674739.db2.gz CUDGKYCBKWDODT-RFBIWTDZSA-N -1 3 546.454 4.906 1 0 KJAFHM O=C(c1ccc(C(F)(F)F)nc1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049756060 562674809 /nfs/dbraw/zinc/67/48/09/562674809.db2.gz JXGZVPQNJLPIJI-UHFFFAOYSA-N -1 3 621.581 4.535 1 0 KJAFHM CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1cccc([O-])c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049778151 562681008 /nfs/dbraw/zinc/68/10/08/562681008.db2.gz KQVVXUOZIWLORH-IKYOIFQTSA-N -1 3 686.875 4.899 1 0 KJAFHM CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccc1[O-])C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049780044 562681274 /nfs/dbraw/zinc/68/12/74/562681274.db2.gz YGJUYOVHWPLBES-NWWLCHBLSA-N -1 3 686.875 4.899 1 0 KJAFHM O=C([O-])c1cc(Cl)cc(-n2c(=O)c3ccc(NC4CCN(Cc5ccccc5)CC4)c4c3n(c2=O)CCC4)c1 ZINC000049780819 562682325 /nfs/dbraw/zinc/68/23/25/562682325.db2.gz UMTBAPUNCNIACD-UHFFFAOYSA-N -1 3 545.039 4.527 1 0 KJAFHM CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc([O-])cc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049817359 562686848 /nfs/dbraw/zinc/68/68/48/562686848.db2.gz YAOSIGBNGZRGFR-IKYOIFQTSA-N -1 3 686.875 4.899 1 0 KJAFHM O=C(Nc1ccccc1)N1CCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049841276 562688201 /nfs/dbraw/zinc/68/82/01/562688201.db2.gz XVNXQYZVQVAWDS-SANMLTNESA-N -1 3 664.728 4.504 1 0 KJAFHM CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c([O-])c4)c(-c4ccncc4)nn32)cc1 ZINC000049872020 562689697 /nfs/dbraw/zinc/68/96/97/562689697.db2.gz JEJHYHQYTOXLOT-ZEQRLZLVSA-N -1 3 520.568 4.779 1 0 KJAFHM CO[C@]1(c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@]1([O-])OC ZINC000049872101 562689727 /nfs/dbraw/zinc/68/97/27/562689727.db2.gz PYOXCOQTXHZYRS-CLJLJLNGSA-N -1 3 521.367 4.711 1 0 KJAFHM CO[C@]1([O-])C(=O)c2ccccc2O[C@@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000049872102 562689743 /nfs/dbraw/zinc/68/97/43/562689743.db2.gz PYOXCOQTXHZYRS-FTJBHMTQSA-N -1 3 521.367 4.711 1 0 KJAFHM O=C(CCCn1c2ccc(O)cc2c2c1cc(-c1c(Cl)cccc1Cl)c1c2C(=O)[N-]C1=O)N1CCOCC1 ZINC000049872209 562689826 /nfs/dbraw/zinc/68/98/26/562689826.db2.gz XLSPNAOIFCAQFU-UHFFFAOYSA-N -1 3 552.414 4.997 1 0 KJAFHM O=C(CCn1c2ccc(O)cc2c2c1cc(-c1c(Cl)cccc1Cl)c1c2C(=O)[N-]C1=O)N1CCOCC1 ZINC000049872512 562690077 /nfs/dbraw/zinc/69/00/77/562690077.db2.gz UVJHXOMIDQIKET-UHFFFAOYSA-N -1 3 538.387 4.606 1 0 KJAFHM CS(=O)(=O)CC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)[N-]c1nc2ccccc2o1 ZINC000049881686 562691029 /nfs/dbraw/zinc/69/10/29/562691029.db2.gz ARYCNRSFOFAKOU-UKILVPOCSA-N -1 3 556.704 4.700 1 0 KJAFHM CS(=O)(=O)CC[C@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)[N-]c1nc2ccccc2o1 ZINC000049881687 562691071 /nfs/dbraw/zinc/69/10/71/562691071.db2.gz ARYCNRSFOFAKOU-ILBGXUMGSA-N -1 3 556.704 4.700 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccccc2I)s1 ZINC000049882040 562691292 /nfs/dbraw/zinc/69/12/92/562691292.db2.gz NRFHFNFWNAWTFM-RFBIWTDZSA-N -1 3 593.454 4.748 1 0 KJAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2ccccc2I)s1 ZINC000049882040 562691291 /nfs/dbraw/zinc/69/12/91/562691291.db2.gz NRFHFNFWNAWTFM-RFBIWTDZSA-N -1 3 593.454 4.748 1 0 KJAFHM N[C@@H](Cn1c(=O)c(-c2ccc(CSCC(=O)[O-])cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049889048 562691729 /nfs/dbraw/zinc/69/17/29/562691729.db2.gz NRLWTIIVKXPCSZ-VWLOTQADSA-N -1 3 587.595 4.901 1 0 KJAFHM CN[C@@H](Cn1c(=O)c(-c2cccc(OCCOCC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049898238 562692332 /nfs/dbraw/zinc/69/23/32/562692332.db2.gz ARERDXBHAZDIGD-VWLOTQADSA-N -1 3 647.597 4.771 1 0 KJAFHM O=C(Cc1ccc(NC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)cc1)NCCN1CCOCC1 ZINC000049917555 562693552 /nfs/dbraw/zinc/69/35/52/562693552.db2.gz KJKNGZXUBZELNZ-UHFFFAOYSA-N -1 3 528.436 4.609 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3C(F)(F)F)cc2)cc1N1CCN(CC2CC2)CC1 ZINC000049917788 562693910 /nfs/dbraw/zinc/69/39/10/562693910.db2.gz XYWMQADXWXISEA-UHFFFAOYSA-N -1 3 602.679 4.977 1 0 KJAFHM CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)Nc1nccs1)[C@@H](C)OCc1ccccc1)N([O-])C=O ZINC000049917953 562694207 /nfs/dbraw/zinc/69/42/07/562694207.db2.gz AGXGKPUSPMCCBO-GATIMQMVSA-N -1 3 544.718 4.775 1 0 KJAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049917974 562694248 /nfs/dbraw/zinc/69/42/48/562694248.db2.gz AVVSYPWXQXQOMR-VWLOTQADSA-N -1 3 548.511 4.883 1 0 KJAFHM COc1cc(C(=O)N[C@@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)C(c2ccccc2)c2ccccc2)ccc1[O-] ZINC000049938165 562695111 /nfs/dbraw/zinc/69/51/11/562695111.db2.gz WQQGWSHSBOBISV-NBWQQBAWSA-N -1 3 716.901 4.908 1 0 KJAFHM CC(=O)Oc1ccccc1CCC(=O)OCOP(=O)(OCOC(=O)CCc1ccccc1OC(C)=O)Oc1ccc([O-])c(C=O)c1 ZINC000049938382 562695236 /nfs/dbraw/zinc/69/52/36/562695236.db2.gz YOPJQORMMAUUDQ-UHFFFAOYSA-N -1 3 658.549 4.842 1 0 KJAFHM COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(=O)[O-])n1 ZINC000053190786 562696412 /nfs/dbraw/zinc/69/64/12/562696412.db2.gz CMBHUJIHAZQWHO-UHFFFAOYSA-N -1 3 519.581 4.821 1 0 KJAFHM O=C1Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=Cc1[nH]c2c(c1CCCN1CCCC1)C(=O)CCC2 ZINC000058582112 562699922 /nfs/dbraw/zinc/69/99/22/562699922.db2.gz GFDMYTNCMHUIAT-CLCOLTQESA-N -1 3 544.677 4.856 1 0 KJAFHM CC(C)CC1=C([O-])N(COC(=O)[C@@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058583440 562700060 /nfs/dbraw/zinc/70/00/60/562700060.db2.gz IAXZWYPEHHZCGO-CUNXSJBXSA-N -1 3 548.661 4.526 1 0 KJAFHM C[C@H](c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12)N1CCCCC1 ZINC000058591163 562700407 /nfs/dbraw/zinc/70/04/07/562700407.db2.gz WDFMMTOESOEIEK-LJQANCHMSA-N -1 3 549.672 4.637 1 0 KJAFHM CN(C)Cc1n[n-]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3C(F)(F)F)CO2)[C@H]1c1ccc(F)cc1 ZINC000058668942 562701515 /nfs/dbraw/zinc/70/15/15/562701515.db2.gz RHLFRQYCXXEYMH-YZYNAAERSA-N -1 3 533.570 4.888 1 0 KJAFHM CN(C)Cc1n[n-]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3OC(F)(F)F)CO2)[C@H]1c1ccc(F)cc1 ZINC000058672556 562701482 /nfs/dbraw/zinc/70/14/82/562701482.db2.gz GXDHHASFXFRRTG-YZYNAAERSA-N -1 3 549.569 4.768 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326412 562702643 /nfs/dbraw/zinc/70/26/43/562702643.db2.gz KVMHXXVFVMJANC-INIZCTEOSA-N -1 3 515.573 4.872 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326413 562702687 /nfs/dbraw/zinc/70/26/87/562702687.db2.gz KVMHXXVFVMJANC-MRXNPFEDSA-N -1 3 515.573 4.872 1 0 KJAFHM CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326580 562702674 /nfs/dbraw/zinc/70/26/74/562702674.db2.gz TTZNKOBNEQGAFA-HNNXBMFYSA-N -1 3 518.577 4.657 1 0 KJAFHM CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326581 562702676 /nfs/dbraw/zinc/70/26/76/562702676.db2.gz TTZNKOBNEQGAFA-OAHLLOKOSA-N -1 3 518.577 4.657 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccs1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326635 562702645 /nfs/dbraw/zinc/70/26/45/562702645.db2.gz WBZIIAKBHYXQRL-LBPRGKRZSA-N -1 3 501.527 4.759 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccs1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326636 562702689 /nfs/dbraw/zinc/70/26/89/562702689.db2.gz WBZIIAKBHYXQRL-GFCCVEGCSA-N -1 3 501.527 4.759 1 0 KJAFHM CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326637 562702680 /nfs/dbraw/zinc/70/26/80/562702680.db2.gz AWDQHTZYTOLTKR-HNNXBMFYSA-N -1 3 519.561 4.990 1 0 KJAFHM CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326638 562702648 /nfs/dbraw/zinc/70/26/48/562702648.db2.gz AWDQHTZYTOLTKR-OAHLLOKOSA-N -1 3 519.561 4.990 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326829 562702721 /nfs/dbraw/zinc/70/27/21/562702721.db2.gz DBVDMBHCMBBPSR-ZDUSSCGKSA-N -1 3 513.488 4.837 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326830 562702735 /nfs/dbraw/zinc/70/27/35/562702735.db2.gz DBVDMBHCMBBPSR-CYBMUJFWSA-N -1 3 513.488 4.837 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1Nc1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326896 562702698 /nfs/dbraw/zinc/70/26/98/562702698.db2.gz XGFDOCFYICOACA-ZDUSSCGKSA-N -1 3 528.503 4.914 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1Nc1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326897 562702711 /nfs/dbraw/zinc/70/27/11/562702711.db2.gz XGFDOCFYICOACA-CYBMUJFWSA-N -1 3 528.503 4.914 1 0 KJAFHM CCCCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326902 562702701 /nfs/dbraw/zinc/70/27/01/562702701.db2.gz PCKUXFIDOVMBJW-ZDUSSCGKSA-N -1 3 507.575 4.923 1 0 KJAFHM CCCCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326903 562702727 /nfs/dbraw/zinc/70/27/27/562702727.db2.gz PCKUXFIDOVMBJW-CYBMUJFWSA-N -1 3 507.575 4.923 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327135 562702738 /nfs/dbraw/zinc/70/27/38/562702738.db2.gz ULLXAOWCKYRTPG-ZDUSSCGKSA-N -1 3 513.488 4.837 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327136 562702715 /nfs/dbraw/zinc/70/27/15/562702715.db2.gz ULLXAOWCKYRTPG-CYBMUJFWSA-N -1 3 513.488 4.837 1 0 KJAFHM CCCCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000060327141 562702713 /nfs/dbraw/zinc/70/27/13/562702713.db2.gz ZYYDQFHTSSUHSN-KRWDZBQOSA-N -1 3 574.641 4.816 1 0 KJAFHM CCCCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000060327142 562702733 /nfs/dbraw/zinc/70/27/33/562702733.db2.gz ZYYDQFHTSSUHSN-QGZVFWFLSA-N -1 3 574.641 4.816 1 0 KJAFHM Cc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000060327391 562702761 /nfs/dbraw/zinc/70/27/61/562702761.db2.gz RWAXMXQEVDKGGY-INIZCTEOSA-N -1 3 539.551 4.918 1 0 KJAFHM Cc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000060327392 562702744 /nfs/dbraw/zinc/70/27/44/562702744.db2.gz RWAXMXQEVDKGGY-MRXNPFEDSA-N -1 3 539.551 4.918 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1Cc2ccccc2C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327652 562702768 /nfs/dbraw/zinc/70/27/68/562702768.db2.gz NUNNGWMPVHUYSF-HNNXBMFYSA-N -1 3 536.551 4.551 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1Cc2ccccc2C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327653 562702787 /nfs/dbraw/zinc/70/27/87/562702787.db2.gz NUNNGWMPVHUYSF-OAHLLOKOSA-N -1 3 536.551 4.551 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327654 562702779 /nfs/dbraw/zinc/70/27/79/562702779.db2.gz RIAOSFQDWAYFMG-INIZCTEOSA-N -1 3 523.552 4.816 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327655 562702751 /nfs/dbraw/zinc/70/27/51/562702751.db2.gz RIAOSFQDWAYFMG-MRXNPFEDSA-N -1 3 523.552 4.816 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCN(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327903 562702791 /nfs/dbraw/zinc/70/27/91/562702791.db2.gz SJWBUOFVKKLWHP-IBGZPJMESA-N -1 3 578.632 4.963 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCN(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327904 562702753 /nfs/dbraw/zinc/70/27/53/562702753.db2.gz SJWBUOFVKKLWHP-LJQANCHMSA-N -1 3 578.632 4.963 1 0 KJAFHM Cc1cccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)c1 ZINC000060327905 562702781 /nfs/dbraw/zinc/70/27/81/562702781.db2.gz GGWPUOWLBCAARF-IBGZPJMESA-N -1 3 593.647 4.666 1 0 KJAFHM Cc1cccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)c1 ZINC000060327906 562702785 /nfs/dbraw/zinc/70/27/85/562702785.db2.gz GGWPUOWLBCAARF-LJQANCHMSA-N -1 3 593.647 4.666 1 0 KJAFHM COc1cc(OC)cc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000060329342 562702859 /nfs/dbraw/zinc/70/28/59/562702859.db2.gz FXQXTJOLQTVXEB-AWEZNQCLSA-N -1 3 555.550 4.715 1 0 KJAFHM COc1cc(OC)cc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000060329343 562702884 /nfs/dbraw/zinc/70/28/84/562702884.db2.gz FXQXTJOLQTVXEB-CQSZACIVSA-N -1 3 555.550 4.715 1 0 KJAFHM C[C@@H](c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12)N1CCCCC1 ZINC000064373401 562704865 /nfs/dbraw/zinc/70/48/65/562704865.db2.gz WDFMMTOESOEIEK-IBGZPJMESA-N -1 3 549.672 4.637 1 0 KJAFHM CC(C)CC1=C([O-])N(COC(=O)[C@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000064373488 562704843 /nfs/dbraw/zinc/70/48/43/562704843.db2.gz IAXZWYPEHHZCGO-AMGIVPHBSA-N -1 3 548.661 4.526 1 0 KJAFHM COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1[O-] ZINC000064448293 562705489 /nfs/dbraw/zinc/70/54/89/562705489.db2.gz LXLICRUJQIYFAQ-FQEVSTJZSA-N -1 3 567.464 4.729 1 0 KJAFHM COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1[O-] ZINC000064448295 562705501 /nfs/dbraw/zinc/70/55/01/562705501.db2.gz LXLICRUJQIYFAQ-HXUWFJFHSA-N -1 3 567.464 4.729 1 0 KJAFHM COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Br)c1[O-] ZINC000064454422 562705734 /nfs/dbraw/zinc/70/57/34/562705734.db2.gz VCOUAMQURFFPAZ-FQEVSTJZSA-N -1 3 520.464 4.887 1 0 KJAFHM COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Br)c1[O-] ZINC000064454424 562705783 /nfs/dbraw/zinc/70/57/83/562705783.db2.gz VCOUAMQURFFPAZ-HXUWFJFHSA-N -1 3 520.464 4.887 1 0 KJAFHM CC(C)(Cc1cccc(CC(=O)NCc2ccc(-c3ccc(O)cc3)cc2)c1)[NH2+]C[C@H](O)c1ccc([O-])c([N-]S(C)(=O)=O)c1 ZINC000064490691 562705899 /nfs/dbraw/zinc/70/58/99/562705899.db2.gz YJWDSNSUCGERRI-YTTGMZPUSA-N -1 3 617.768 4.640 1 0 KJAFHM COc1ccc(Nc2nc(-c3cccc([N-]S(=O)(=O)c4ccc(OC)cc4)c3)cn3ccnc23)cc1 ZINC000064539242 562707490 /nfs/dbraw/zinc/70/74/90/562707490.db2.gz UZIXWZAHJXLPPY-UHFFFAOYSA-N -1 3 501.568 4.958 1 0 KJAFHM CC(C)(Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)[NH2+]C[C@H](O)c1ccc([O-])c([N-]S(C)(=O)=O)c1 ZINC000064574063 562708757 /nfs/dbraw/zinc/70/87/57/562708757.db2.gz ZZKXSAXWQIMXAR-SANMLTNESA-N -1 3 594.561 4.574 1 0 KJAFHM CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[n-]n3)cc1)C(=O)N1C3CCC(CC3)N1C2 ZINC000066074799 562709884 /nfs/dbraw/zinc/70/98/84/562709884.db2.gz GNRPOJRPMDCDDL-UHFFFAOYSA-N -1 3 508.630 4.619 1 0 KJAFHM CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[n-]3)cc1)C(=O)N1C3CCC(CC3)N1C2 ZINC000066074799 562709883 /nfs/dbraw/zinc/70/98/83/562709883.db2.gz GNRPOJRPMDCDDL-UHFFFAOYSA-N -1 3 508.630 4.619 1 0 KJAFHM C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2C(F)(F)F)CC1)N([O-])C=O)c1ncc(F)cn1 ZINC000066079903 562710698 /nfs/dbraw/zinc/71/06/98/562710698.db2.gz JGAIDLBSMBNOAG-XDHUDOTRSA-N -1 3 578.604 4.548 1 0 KJAFHM Cc1cc(C(F)(F)F)ccc1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N([O-])C=O)CC1 ZINC000066098546 562710952 /nfs/dbraw/zinc/71/09/52/562710952.db2.gz AYZCFZMCYDMFMY-DFBJGRDBSA-N -1 3 574.641 4.717 1 0 KJAFHM C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(Cl)cc2Cl)CC1)N([O-])C=O)c1ncc(F)cn1 ZINC000066098591 562710965 /nfs/dbraw/zinc/71/09/65/562710965.db2.gz QGHSUDAHRCBUBZ-XDHUDOTRSA-N -1 3 561.507 4.697 1 0 KJAFHM CN(CCN1CCN(C)CC1)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099470 562711097 /nfs/dbraw/zinc/71/10/97/562711097.db2.gz OMPKIPICCUZCSJ-RUZDIDTESA-N -1 3 530.713 4.994 1 0 KJAFHM CN(CCN1CCN(C)CC1)[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099473 562711080 /nfs/dbraw/zinc/71/10/80/562711080.db2.gz OMPKIPICCUZCSJ-VWLOTQADSA-N -1 3 530.713 4.994 1 0 KJAFHM CC(=O)O[C@@H]1C=C[C@H](OCCCCCOc2cc([O-])c3c(c2)occ(-c2ccc(O)cc2)c3=O)O[C@H]1C ZINC000066251649 562714545 /nfs/dbraw/zinc/71/45/45/562714545.db2.gz RRLHMJHRFMHVNM-BQVXCWBNSA-N -1 3 510.539 4.670 1 0 KJAFHM CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H](N)CC(C)C ZINC000072116849 562723272 /nfs/dbraw/zinc/72/32/72/562723272.db2.gz QBDBQEXTVSAIDK-AHWVRZQESA-N -1 3 519.642 4.612 1 0 KJAFHM CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1OCC(C)C ZINC000072116850 562723260 /nfs/dbraw/zinc/72/32/60/562723260.db2.gz BQJOUBDALVDAJH-BYGVMDBSSA-N -1 3 519.642 4.612 1 0 KJAFHM CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000072116898 562723307 /nfs/dbraw/zinc/72/33/07/562723307.db2.gz QWJOHDYEBCTBII-YTMVLYRLSA-N -1 3 569.658 4.514 1 0 KJAFHM COc1ccc(C[C@H](N)C(=O)Nc2ccc(C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])cc2OCC(C)C)cc1 ZINC000072116988 562723298 /nfs/dbraw/zinc/72/32/98/562723298.db2.gz LTVYEXGZSDEBGV-JDXGNMNLSA-N -1 3 583.685 4.817 1 0 KJAFHM COc1ccc(C[C@H](N)C(=O)Nc2ccc(C(=O)N[C@@H](CCc3ccccc3)C(=O)[O-])cc2OCc2ccccc2)cc1 ZINC000072117017 562723355 /nfs/dbraw/zinc/72/33/55/562723355.db2.gz CDNLQZFVXXPENU-JDXGNMNLSA-N -1 3 581.669 4.599 1 0 KJAFHM CSCC[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118111 562723406 /nfs/dbraw/zinc/72/34/06/562723406.db2.gz SWGKMNAVUISAJO-ZCYQVOJMSA-N -1 3 570.111 4.754 1 0 KJAFHM CC(C)[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118197 562723433 /nfs/dbraw/zinc/72/34/33/562723433.db2.gz MHSGFKIRLIMPAX-AHWVRZQESA-N -1 3 538.044 4.657 1 0 KJAFHM N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1 ZINC000072118327 562723483 /nfs/dbraw/zinc/72/34/83/562723483.db2.gz DJRRIQSVNSFPJI-JDXGNMNLSA-N -1 3 565.670 4.980 1 0 KJAFHM N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072120028 562723958 /nfs/dbraw/zinc/72/39/58/562723958.db2.gz JJWVRYILQJZGST-YTMVLYRLSA-N -1 3 602.087 4.949 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000072135770 562727561 /nfs/dbraw/zinc/72/75/61/562727561.db2.gz NKHCTIRKNVNUBN-BUEREQSYSA-N -1 3 605.679 4.858 1 0 KJAFHM O=C(Nc1cc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(OCCN2CCCC2)cc1 ZINC000072175267 562731300 /nfs/dbraw/zinc/73/13/00/562731300.db2.gz FQXJVZZKZWSHEQ-UHFFFAOYSA-N -1 3 531.638 4.604 1 0 KJAFHM CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc([N-]S(=O)(=O)c5cccc(Cl)c5)c4)[nH]n3)cc2)CC1 ZINC000072177628 562731837 /nfs/dbraw/zinc/73/18/37/562731837.db2.gz ZOTXBRHWIDKKFO-UHFFFAOYSA-N -1 3 551.072 4.535 1 0 KJAFHM CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc([N-]S(=O)(=O)c5ccc(Cl)cc5)c4)[nH]n3)cc2)CC1 ZINC000072177629 562731855 /nfs/dbraw/zinc/73/18/55/562731855.db2.gz KYVGWYPQEYQEBJ-UHFFFAOYSA-N -1 3 551.072 4.535 1 0 KJAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1N(C(C)=O)c1ccccc1 ZINC000072179137 562732229 /nfs/dbraw/zinc/73/22/29/562732229.db2.gz OLKCLGIIQNHVQW-UHFFFAOYSA-N -1 3 507.554 4.640 1 0 KJAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1N(C(C)=O)c1ccccc1 ZINC000072179137 562732228 /nfs/dbraw/zinc/73/22/28/562732228.db2.gz OLKCLGIIQNHVQW-UHFFFAOYSA-N -1 3 507.554 4.640 1 0 KJAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1N(C(C)=O)c1cccc(C)c1 ZINC000072179277 562732281 /nfs/dbraw/zinc/73/22/81/562732281.db2.gz YGQCVEGMIVCPAY-UHFFFAOYSA-N -1 3 521.581 4.948 1 0 KJAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1N(C(C)=O)c1cccc(C)c1 ZINC000072179277 562732280 /nfs/dbraw/zinc/73/22/80/562732280.db2.gz YGQCVEGMIVCPAY-UHFFFAOYSA-N -1 3 521.581 4.948 1 0 KJAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1N(C(C)=O)c1ccc(C)cc1 ZINC000072179283 562732315 /nfs/dbraw/zinc/73/23/15/562732315.db2.gz NJSJRDFIVWEJKR-UHFFFAOYSA-N -1 3 521.581 4.948 1 0 KJAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1N(C(C)=O)c1ccc(C)cc1 ZINC000072179283 562732314 /nfs/dbraw/zinc/73/23/14/562732314.db2.gz NJSJRDFIVWEJKR-UHFFFAOYSA-N -1 3 521.581 4.948 1 0 KJAFHM CCOC(=O)c1cn(-c2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1N(C(C)=O)c1cccc(C)c1 ZINC000072180368 562732476 /nfs/dbraw/zinc/73/24/76/562732476.db2.gz WUZSGWDEHMTHGO-UHFFFAOYSA-N -1 3 507.554 4.889 1 0 KJAFHM CCOC(=O)c1cn(-c2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1N(C(C)=O)c1cccc(C)c1 ZINC000072180368 562732475 /nfs/dbraw/zinc/73/24/75/562732475.db2.gz WUZSGWDEHMTHGO-UHFFFAOYSA-N -1 3 507.554 4.889 1 0 KJAFHM CC(C)N1CCN(c2cnc3ccc(-c4cnc(Cl)c([N-]S(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1 ZINC000072317573 562733193 /nfs/dbraw/zinc/73/31/93/562733193.db2.gz MVPHPMFJESRQLE-UHFFFAOYSA-N -1 3 541.052 4.816 1 0 KJAFHM COc1cc(NC(=O)c2cn(Cc3c(Cl)cccc3Cl)c3ccc(=O)[n-]c3c2=O)cc(OC)c1OC ZINC000073140924 562733645 /nfs/dbraw/zinc/73/36/45/562733645.db2.gz JELWUFXWZSYANR-UHFFFAOYSA-N -1 3 530.364 4.735 1 0 KJAFHM O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2c(Cl)cccc2Cl)c2ccc(=O)[n-]c2c1=O ZINC000073161734 562734149 /nfs/dbraw/zinc/73/41/49/562734149.db2.gz VOJWVORRJJLZOX-UHFFFAOYSA-N -1 3 525.392 4.546 1 0 KJAFHM O=C(Nc1cccc(Nc2cc3c(=O)[n-][nH]c(=O)c3cc2Cl)c1)c1cccc(I)c1 ZINC000073164155 562734283 /nfs/dbraw/zinc/73/42/83/562734283.db2.gz IESVGVCLYIUCSJ-UHFFFAOYSA-N -1 3 532.725 4.883 1 0 KJAFHM O=C(Nc1cccc(Nc2cc3c(cc2Cl)C(=O)[N-]C3=O)c1)c1cccc(I)c1 ZINC000073166668 562734540 /nfs/dbraw/zinc/73/45/40/562734540.db2.gz NQTHPBZIGQQCGW-UHFFFAOYSA-N -1 3 517.710 4.824 1 0 KJAFHM COC1CCN(c2cnc3ccc(-c4cnc(Cl)c([N-]S(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1 ZINC000073169056 562734784 /nfs/dbraw/zinc/73/47/84/562734784.db2.gz AKUBJNKMQOIYPV-UHFFFAOYSA-N -1 3 528.009 4.900 1 0 KJAFHM O=S(=O)([N-]c1cc(-c2ccc3nccc(N4CCC(O)CC4)c3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073196260 562735058 /nfs/dbraw/zinc/73/50/58/562735058.db2.gz LGDWBXISXWXDQF-UHFFFAOYSA-N -1 3 512.994 4.851 1 0 KJAFHM CS(=O)(=O)N(Cc1cn(Cc2cc3ccccc3nc2-c2ccccc2[O-])nn1)c1ccccc1I ZINC000073198022 562735560 /nfs/dbraw/zinc/73/55/60/562735560.db2.gz ATGGGWQMGIHHCJ-UHFFFAOYSA-N -1 3 611.465 4.818 1 0 KJAFHM CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ccccn2c(=O)c1-c1ccc([O-])cc1 ZINC000073220726 562736312 /nfs/dbraw/zinc/73/63/12/562736312.db2.gz WTTATJOVBZKTFT-GOSISDBHSA-N -1 3 605.610 4.792 1 0 KJAFHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(Cl)cc(-c2ccc(CN3CCN(C)CC3)cc2)cc1Cl ZINC000073258686 562737141 /nfs/dbraw/zinc/73/71/41/562737141.db2.gz KKANRNIZSNJXFG-UHFFFAOYSA-N -1 3 522.502 4.559 1 0 KJAFHM CCCCc1nc(CCC)c(CCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073278024 562737331 /nfs/dbraw/zinc/73/73/31/562737331.db2.gz WSQDSEVEVJGYRX-UHFFFAOYSA-N -1 3 528.657 4.930 1 0 KJAFHM CCCCc1nc(CCC)c(CCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073278024 562737330 /nfs/dbraw/zinc/73/73/30/562737330.db2.gz WSQDSEVEVJGYRX-UHFFFAOYSA-N -1 3 528.657 4.930 1 0 KJAFHM CCCCc1nc(C)c(CCC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073292691 562737554 /nfs/dbraw/zinc/73/75/54/562737554.db2.gz RICHPERLJGLZQU-UHFFFAOYSA-N -1 3 539.684 4.735 1 0 KJAFHM CCCCc1nc(C)c(CCC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073292691 562737553 /nfs/dbraw/zinc/73/75/53/562737553.db2.gz RICHPERLJGLZQU-UHFFFAOYSA-N -1 3 539.684 4.735 1 0 KJAFHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(Cl)cc(-c2cccc(CN3CCN(C)CC3)c2)cc1Cl ZINC000073293918 562737595 /nfs/dbraw/zinc/73/75/95/562737595.db2.gz GMUQZULJZPZDRX-UHFFFAOYSA-N -1 3 522.502 4.559 1 0 KJAFHM COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)Oc1ccc(C=C4SC(=O)[N-]C4=O)cc1Br)OCO3)OCO2 ZINC000082138083 562739174 /nfs/dbraw/zinc/73/91/74/562739174.db2.gz JXANRXRCJXVIIO-GXHLCREISA-N -1 3 686.445 4.920 1 0 KJAFHM COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)Oc1ccc(Cl)cc1C=C1SC(=O)[N-]C1=O)OCO3)OCO2 ZINC000082139840 562739250 /nfs/dbraw/zinc/73/92/50/562739250.db2.gz BZCUCCVRDFDPLS-FBCYGCLPSA-N -1 3 641.994 4.811 1 0 KJAFHM CCCC(=O)O[C@@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000082181778 562742006 /nfs/dbraw/zinc/74/20/06/562742006.db2.gz MVHMLFUBYIRNJA-IJLUTSLNSA-N -1 3 659.042 4.573 1 0 KJAFHM CCCC(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000082181780 562741950 /nfs/dbraw/zinc/74/19/50/562741950.db2.gz MVHMLFUBYIRNJA-UTUOFQBUSA-N -1 3 659.042 4.573 1 0 KJAFHM C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2ccc([O-])c(I)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000082190350 562742565 /nfs/dbraw/zinc/74/25/65/562742565.db2.gz XMXDDGCAJMJKDM-ISDDBSQYSA-N -1 3 733.644 4.768 1 0 KJAFHM C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2ccc([O-])c(Br)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000082196817 562742807 /nfs/dbraw/zinc/74/28/07/562742807.db2.gz JIHNXPGNCSRXCP-ISDDBSQYSA-N -1 3 686.644 4.926 1 0 KJAFHM COc1ccc(CNC(=O)Cn2cc(-c3cnc4c([N-]c5cc(CN6CCC[C@H](C)C6)ns5)nc(C)cn34)cn2)cc1 ZINC000084586680 562743416 /nfs/dbraw/zinc/74/34/16/562743416.db2.gz XLGUSDXMFILEGW-FQEVSTJZSA-N -1 3 585.738 4.658 1 0 KJAFHM COc1ccc(CNC(=O)Cn2cc(-c3cnc4c([N-]c5cc(CN6CCC[C@@H](C)C6)ns5)nc(C)cn34)cn2)cc1 ZINC000084586683 562743424 /nfs/dbraw/zinc/74/34/24/562743424.db2.gz XLGUSDXMFILEGW-HXUWFJFHSA-N -1 3 585.738 4.658 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4F)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084596644 562743773 /nfs/dbraw/zinc/74/37/73/562743773.db2.gz MFRXDBPALKWKBL-UHFFFAOYSA-N -1 3 545.648 4.865 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4F)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084596676 562743768 /nfs/dbraw/zinc/74/37/68/562743768.db2.gz ULAVUYGQHLPDHT-UHFFFAOYSA-N -1 3 559.675 4.543 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(F)c4)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084596677 562743789 /nfs/dbraw/zinc/74/37/89/562743789.db2.gz HNEQLTHWJIJIPZ-UHFFFAOYSA-N -1 3 559.675 4.543 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(F)cc4)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084596678 562743757 /nfs/dbraw/zinc/74/37/57/562743757.db2.gz PDBLNPBHCGQRPM-UHFFFAOYSA-N -1 3 559.675 4.543 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cc(F)cc(F)c4)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084616745 562744657 /nfs/dbraw/zinc/74/46/57/562744657.db2.gz BFSIRYBEOWYNCV-UHFFFAOYSA-N -1 3 577.665 4.682 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(F)c4F)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084619455 562745288 /nfs/dbraw/zinc/74/52/88/562745288.db2.gz TTXUUHWJDGZPDA-UHFFFAOYSA-N -1 3 577.665 4.682 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084620009 562745384 /nfs/dbraw/zinc/74/53/84/562745384.db2.gz LIEHUWSBANPUKO-UHFFFAOYSA-N -1 3 545.648 4.865 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccs4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632702 562745615 /nfs/dbraw/zinc/74/56/15/562745615.db2.gz IMRNKQWAMWWEKR-SFHVURJKSA-N -1 3 561.741 4.711 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccs4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632705 562745646 /nfs/dbraw/zinc/74/56/46/562745646.db2.gz IMRNKQWAMWWEKR-GOSISDBHSA-N -1 3 561.741 4.711 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccc(F)cc4)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084632791 562745649 /nfs/dbraw/zinc/74/56/49/562745649.db2.gz FETFATXUVPPWGM-UHFFFAOYSA-N -1 3 545.648 4.865 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632856 562745605 /nfs/dbraw/zinc/74/56/05/562745605.db2.gz PBHYAPKEUOBQSL-KRWDZBQOSA-N -1 3 560.663 4.506 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632858 562745635 /nfs/dbraw/zinc/74/56/35/562745635.db2.gz PBHYAPKEUOBQSL-QGZVFWFLSA-N -1 3 560.663 4.506 1 0 in-vitro KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632860 562745601 /nfs/dbraw/zinc/74/56/01/562745601.db2.gz APEKZEQPEXYFDS-KRWDZBQOSA-N -1 3 560.663 4.506 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632863 562745631 /nfs/dbraw/zinc/74/56/31/562745631.db2.gz APEKZEQPEXYFDS-QGZVFWFLSA-N -1 3 560.663 4.506 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084633503 562745732 /nfs/dbraw/zinc/74/57/32/562745732.db2.gz MKPGJKRDMWXJIV-KRWDZBQOSA-N -1 3 560.663 4.506 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084633505 562745752 /nfs/dbraw/zinc/74/57/52/562745752.db2.gz MKPGJKRDMWXJIV-QGZVFWFLSA-N -1 3 560.663 4.506 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(N(C)C)c4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084634994 562746048 /nfs/dbraw/zinc/74/60/48/562746048.db2.gz ZWGGSMUWSPJJIU-NRFANRHFSA-N -1 3 598.781 4.716 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(N(C)C)c4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084634996 562746063 /nfs/dbraw/zinc/74/60/63/562746063.db2.gz ZWGGSMUWSPJJIU-OAQYLSRUSA-N -1 3 598.781 4.716 1 0 KJAFHM COc1cccc(CNC(=O)Cn2cc(-c3cnc4c([N-]c5cc(CN6CCC[C@H](C)C6)ns5)nc(C)cn34)cn2)c1 ZINC000084634999 562746027 /nfs/dbraw/zinc/74/60/27/562746027.db2.gz GANVFRXETVPEAB-FQEVSTJZSA-N -1 3 585.738 4.658 1 0 KJAFHM COc1cccc(CNC(=O)Cn2cc(-c3cnc4c([N-]c5cc(CN6CCC[C@@H](C)C6)ns5)nc(C)cn34)cn2)c1 ZINC000084635001 562746023 /nfs/dbraw/zinc/74/60/23/562746023.db2.gz GANVFRXETVPEAB-HXUWFJFHSA-N -1 3 585.738 4.658 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084635987 562746285 /nfs/dbraw/zinc/74/62/85/562746285.db2.gz DUDRYIOTGNVUFB-FQEVSTJZSA-N -1 3 555.712 4.650 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084635989 562746250 /nfs/dbraw/zinc/74/62/50/562746250.db2.gz DUDRYIOTGNVUFB-HXUWFJFHSA-N -1 3 555.712 4.650 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084635991 562746277 /nfs/dbraw/zinc/74/62/77/562746277.db2.gz JJOKOLOYQZIVJV-IBGZPJMESA-N -1 3 541.685 4.972 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084635993 562746257 /nfs/dbraw/zinc/74/62/57/562746257.db2.gz JJOKOLOYQZIVJV-LJQANCHMSA-N -1 3 541.685 4.972 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084635996 562746292 /nfs/dbraw/zinc/74/62/92/562746292.db2.gz WRJCEXIIPCBBHI-NRFANRHFSA-N -1 3 569.739 4.992 1 0 KJAFHM Cc1cn2c(-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084635998 562746296 /nfs/dbraw/zinc/74/62/96/562746296.db2.gz WRJCEXIIPCBBHI-OAQYLSRUSA-N -1 3 569.739 4.992 1 0 KJAFHM CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000084638155 562746335 /nfs/dbraw/zinc/74/63/35/562746335.db2.gz STAULMOPCIDUEU-FQEVSTJZSA-N -1 3 551.750 4.832 1 0 KJAFHM CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000084638156 562746333 /nfs/dbraw/zinc/74/63/33/562746333.db2.gz STAULMOPCIDUEU-HXUWFJFHSA-N -1 3 551.750 4.832 1 0 KJAFHM CC(C)[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084652969 562746690 /nfs/dbraw/zinc/74/66/90/562746690.db2.gz NUXUQXBFGQPERJ-JDXGNMNLSA-N -1 3 581.673 4.618 1 0 KJAFHM CC(C)(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000084653840 562747016 /nfs/dbraw/zinc/74/70/16/562747016.db2.gz NSGCOYSQWBIPSZ-DSPMFFIESA-N -1 3 673.774 4.676 1 0 KJAFHM CC(C)(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000084653840 562747015 /nfs/dbraw/zinc/74/70/15/562747015.db2.gz NSGCOYSQWBIPSZ-DSPMFFIESA-N -1 3 673.774 4.676 1 0 KJAFHM CC(C)(C)C(=O)OC[C@@H](NC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000084668377 562747534 /nfs/dbraw/zinc/74/75/34/562747534.db2.gz GIYRURUCASDJFU-JOCHJYFZSA-N -1 3 537.723 4.789 1 0 KJAFHM CC(C)(C)C(=O)OC[C@H](NC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000084668378 562747547 /nfs/dbraw/zinc/74/75/47/562747547.db2.gz GIYRURUCASDJFU-QFIPXVFZSA-N -1 3 537.723 4.789 1 0 KJAFHM N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084669018 562747879 /nfs/dbraw/zinc/74/78/79/562747879.db2.gz DXNVBHZAEVLTMD-ZQAZVOLISA-N -1 3 645.716 4.911 1 0 KJAFHM COc1cc(N2C(=O)N(c3ccc(-c4ccc(-c5cc(=O)[nH][n-]5)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084669747 562748062 /nfs/dbraw/zinc/74/80/62/562748062.db2.gz YEDDTSUKSZDINS-UHFFFAOYSA-N -1 3 616.682 4.959 1 0 KJAFHM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(-c4cc[nH]n4)cc3)cc1)C(=O)N2c1cc(=O)[n-]cn1 ZINC000084670082 562748146 /nfs/dbraw/zinc/74/81/46/562748146.db2.gz COBUMZLYZWRZDS-UHFFFAOYSA-N -1 3 586.656 4.538 1 0 in-vitro KJAFHM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(C3CCCCC3)cc1)C(=O)N2c1cc(=O)[n-]cn1 ZINC000084710681 562750521 /nfs/dbraw/zinc/75/05/21/562750521.db2.gz ZREIKOVBKPAVMW-UHFFFAOYSA-N -1 3 526.641 4.529 1 0 KJAFHM O=C1[N-]C(=O)C(=Cc2ccc(OCCSc3nc(-c4ccc(Br)cc4)n[nH]3)cc2)S1 ZINC000084714704 562750970 /nfs/dbraw/zinc/75/09/70/562750970.db2.gz XNRGTFGKXHETAH-WJDWOHSUSA-N -1 3 503.403 4.729 1 0 KJAFHM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc4scnc4c3)cc1)C(=O)N2c1cc(=O)[n-]cn1 ZINC000084725498 562751256 /nfs/dbraw/zinc/75/12/56/562751256.db2.gz GZOBVYAVRWIDTA-UHFFFAOYSA-N -1 3 577.670 4.758 1 0 KJAFHM COc1ccc(C[C@H](N)C(=O)Nc2ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2OCCc2c[nH]c3ccccc23)cc1 ZINC000084757106 562752320 /nfs/dbraw/zinc/75/23/20/562752320.db2.gz FWJCFSBQEBBIIP-WNJJXGMVSA-N -1 3 586.689 4.536 1 0 KJAFHM CC(C)(C)C(=O)OC[C@H](Cc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000084757609 562752444 /nfs/dbraw/zinc/75/24/44/562752444.db2.gz HLCHPCYCZHFVOA-NRFANRHFSA-N -1 3 551.750 4.659 1 0 KJAFHM CC(C)(C)C(=O)OC[C@@H](Cc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000084757611 562752419 /nfs/dbraw/zinc/75/24/19/562752419.db2.gz HLCHPCYCZHFVOA-OAQYLSRUSA-N -1 3 551.750 4.659 1 0 KJAFHM CSCC[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084758593 562752674 /nfs/dbraw/zinc/75/26/74/562752674.db2.gz MXJXEFWPMICVCO-SVEHJYQDSA-N -1 3 613.740 4.715 1 0 KJAFHM C[NH2+]Cc1cccc(Cc2cc(-c3oc4cc([O-])cc(O[C@H](CO)CCCO)c4c(=O)c3O)cc(CC(C)C)c2[O-])c1 ZINC000085569378 291866210 /nfs/dbraw/zinc/86/62/10/291866210.db2.gz VIFISERUYUKQBI-SANMLTNESA-N -1 3 577.674 4.598 1 0 biogenic,in-vitro KJAFHM C[NH2+]Cc1cccc(Cc2cc(-c3oc4cc([O-])cc(OCCCO)c4c(=O)c3O)cc(CC(C)C)c2[O-])c1 ZINC000085569409 560069990 /nfs/dbraw/zinc/06/99/90/560069990.db2.gz FOIUGYFZPRKMJK-UHFFFAOYSA-N -1 3 533.621 4.847 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@@H](CO)Cc1ccc(NCC)nc1 ZINC000085595173 565151889 /nfs/dbraw/zinc/15/18/89/565151889.db2.gz NZJAERUTBLSHMI-JKWYPYRKSA-N -1 3 630.694 4.613 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@@H](CO)Cc1ccc(NCC)nc1 ZINC000085595173 565151880 /nfs/dbraw/zinc/15/18/80/565151880.db2.gz NZJAERUTBLSHMI-JKWYPYRKSA-N -1 3 630.694 4.613 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c3c2O[C@@]1(C)[C@H]1Cc2cnc(N)cc2CC2=C1C(=CC2)c1c(N)nccc1C3 ZINC000085595199 565152930 /nfs/dbraw/zinc/15/29/30/565152930.db2.gz XEILKZRZQJNWBC-SPEVLVPCSA-N -1 3 660.727 4.620 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c3c2O[C@@]1(C)[C@H]1Cc2cnc(N)cc2CC2=C1C(=CC2)c1c(N)nccc1C3 ZINC000085595199 565152926 /nfs/dbraw/zinc/15/29/26/565152926.db2.gz XEILKZRZQJNWBC-SPEVLVPCSA-N -1 3 660.727 4.620 1 0 biogenic,in-vitro KJAFHM C/C=C(\C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@H](CO)Cc1ccc(N)nc1)C1CCCC1 ZINC000085595206 565152704 /nfs/dbraw/zinc/15/27/04/565152704.db2.gz DLLPCRULWCGESF-SUMVWWRDSA-N -1 3 656.732 4.934 1 0 biogenic,in-vitro KJAFHM C/C=C(\C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@H](CO)Cc1ccc(N)nc1)C1CCCC1 ZINC000085595206 565152701 /nfs/dbraw/zinc/15/27/01/565152701.db2.gz DLLPCRULWCGESF-SUMVWWRDSA-N -1 3 656.732 4.934 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595214 560064190 /nfs/dbraw/zinc/06/41/90/560064190.db2.gz SRHSJOMWPRCIPD-YGPXXKOCSA-N -1 3 572.614 4.545 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595214 560064188 /nfs/dbraw/zinc/06/41/88/560064188.db2.gz SRHSJOMWPRCIPD-YGPXXKOCSA-N -1 3 572.614 4.545 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(Cc3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595223 565152770 /nfs/dbraw/zinc/15/27/70/565152770.db2.gz WEJXXCIEJAGNIH-GVPAPYLISA-N -1 3 614.699 4.590 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(Cc3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595223 565152769 /nfs/dbraw/zinc/15/27/69/565152769.db2.gz WEJXXCIEJAGNIH-GVPAPYLISA-N -1 3 614.699 4.590 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c3c2O[C@@]1(C)CCCc1c(N)nccc1[C@H]3Cc1cccc(O)c1 ZINC000085595234 565152951 /nfs/dbraw/zinc/15/29/51/565152951.db2.gz TZZWICIXVZWKJH-FZYAZJMYSA-N -1 3 612.679 4.956 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c3c2O[C@@]1(C)CCCc1c(N)nccc1[C@H]3Cc1cccc(O)c1 ZINC000085595234 565152944 /nfs/dbraw/zinc/15/29/44/565152944.db2.gz TZZWICIXVZWKJH-FZYAZJMYSA-N -1 3 612.679 4.956 1 0 biogenic,in-vitro KJAFHM C/C=C(\C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(Cc3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1)C1CCCC1 ZINC000085595245 565152638 /nfs/dbraw/zinc/15/26/38/565152638.db2.gz GHOGIXPHFHBSSM-HYSGIXQSSA-N -1 3 640.737 4.911 1 0 biogenic,in-vitro KJAFHM C/C=C(\C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(Cc3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1)C1CCCC1 ZINC000085595245 565152635 /nfs/dbraw/zinc/15/26/35/565152635.db2.gz GHOGIXPHFHBSSM-HYSGIXQSSA-N -1 3 640.737 4.911 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C ZINC000085595253 560064095 /nfs/dbraw/zinc/06/40/95/560064095.db2.gz NWFIUHYFTOYVAX-GRBMZXGSSA-N -1 3 586.641 4.640 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C ZINC000085595253 560064093 /nfs/dbraw/zinc/06/40/93/560064093.db2.gz NWFIUHYFTOYVAX-GRBMZXGSSA-N -1 3 586.641 4.640 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(CCc3ccccc3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595262 560064126 /nfs/dbraw/zinc/06/41/26/560064126.db2.gz WGJYHPYBXHKZSA-POVKEWKASA-N -1 3 584.669 4.958 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(CCc3ccccc3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595262 560064124 /nfs/dbraw/zinc/06/41/24/560064124.db2.gz WGJYHPYBXHKZSA-POVKEWKASA-N -1 3 584.669 4.958 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(Cc3ccccc3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595265 560064137 /nfs/dbraw/zinc/06/41/37/560064137.db2.gz JCFNMHRUNBZZET-BIQVIACRSA-N -1 3 570.642 4.763 1 0 biogenic,in-vitro KJAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(Cc3ccccc3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595265 560064136 /nfs/dbraw/zinc/06/41/36/560064136.db2.gz JCFNMHRUNBZZET-BIQVIACRSA-N -1 3 570.642 4.763 1 0 biogenic,in-vitro KJAFHM COc1cc(C(=O)O[C@H](Cc2ccc(O)c(CC=C(C)C)c2)[C@@H](O)c2ccc(O)cc2OC)cc(OC)c1[O-] ZINC000085611846 291870465 /nfs/dbraw/zinc/87/04/65/291870465.db2.gz GEPYENNZEVKGNW-IZLXSDGUSA-N -1 3 538.593 4.840 1 0 biogenic,in-vitro KJAFHM COc1cc(OC)c2c([O-])c3c(c(-c4c5cc(OC)cc(OC)c5c(O)c5c4C[C@](C)(O)CC5=O)c2c1)C[C@](C)(O)CC3=O ZINC000085744872 565169923 /nfs/dbraw/zinc/16/99/23/565169923.db2.gz VVWGQJAVEGHWEP-HEVIKAOCSA-N -1 3 602.636 4.865 1 0 biogenic,in-vitro KJAFHM Cc1ccccc1-n1c(Cn2nc(-c3cc([O-])cc(F)c3)c3c2ncnc3N)cc2cccc(C)c2c1=O ZINC000088345653 562753616 /nfs/dbraw/zinc/75/36/16/562753616.db2.gz XWHQPBKSJATHQB-UHFFFAOYSA-N -1 3 506.541 4.889 1 0 KJAFHM C=C/C(C)=C/C[C@@]1(C)[C@H]2C[C@@H](O)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@H](OC(=O)c2ccc([O-])cc2)C[C@@H]1C ZINC000095099050 560062727 /nfs/dbraw/zinc/06/27/27/560062727.db2.gz CIQOXQMVAFIWID-XKXWVSPASA-N -1 3 554.636 4.588 1 0 biogenic,in-vitro KJAFHM C=C/C(C)=C/C[C@@]1(C)[C@H]2C[C@@H](OC(=O)c3ccc([O-])cc3)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@H](O)C[C@@H]1C ZINC000095099051 560062703 /nfs/dbraw/zinc/06/27/03/560062703.db2.gz BTSDTWZLDJUDMR-XKXWVSPASA-N -1 3 554.636 4.588 1 0 biogenic,in-vitro KJAFHM CCOC(=O)CSc1nc2c([n-]1)c(I)c(I)c(I)c2I ZINC000095548864 562759575 /nfs/dbraw/zinc/75/95/75/562759575.db2.gz DQKGLPZSTIRHFV-UHFFFAOYSA-N -1 3 739.880 4.637 1 0 KJAFHM COc1ccccc1Oc1c([N-]S(=O)(=O)NCc2ccccc2)nc(C2CC2)nc1OCCOc1ncc(Br)cn1 ZINC000095552854 562760829 /nfs/dbraw/zinc/76/08/29/562760829.db2.gz FFMVLDUPAMRSND-UHFFFAOYSA-N -1 3 643.520 4.612 1 0 KJAFHM CCCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2cccc([O-])c2)n1 ZINC000095553167 562760873 /nfs/dbraw/zinc/76/08/73/562760873.db2.gz ZIMCEFLDYTZAEU-LJQANCHMSA-N -1 3 600.796 4.534 1 0 KJAFHM CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C\C(=O)[O-] ZINC000095555224 562761517 /nfs/dbraw/zinc/76/15/17/562761517.db2.gz CHIHPJRBMJYYKS-DMFJGAQZSA-N -1 3 578.706 4.823 1 0 KJAFHM CCCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc([O-])cc2)n1 ZINC000095556756 562761857 /nfs/dbraw/zinc/76/18/57/562761857.db2.gz UNRIQSYPMLOPEU-LJQANCHMSA-N -1 3 600.796 4.534 1 0 KJAFHM Cc1cccc2c1O[P@@](=O)(O[C@H]1C[C@H](n3cc(I)c(=O)[n-]c3=O)O[C@@H]1CO[P@]1(=O)OCc3cccc(C)c3O1)OC2 ZINC000095561197 562763318 /nfs/dbraw/zinc/76/33/18/562763318.db2.gz IVURHZQWNJOBND-SCCCSZQZSA-N -1 3 718.330 4.882 1 0 KJAFHM Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(I)c(=O)[n-]c3=O)C[C@@H]1O[P@@]1(=O)OCc3cccc(C)c3O1)OC2 ZINC000095561198 562763320 /nfs/dbraw/zinc/76/33/20/562763320.db2.gz IVURHZQWNJOBND-WWURGYOXSA-N -1 3 718.330 4.882 1 0 KJAFHM Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(I)c(=O)[n-]c3=O)C[C@@H]1O[P@]1(=O)OCc3cccc(C)c3O1)OC2 ZINC000095561199 562763322 /nfs/dbraw/zinc/76/33/22/562763322.db2.gz IVURHZQWNJOBND-FUOUVUMRSA-N -1 3 718.330 4.882 1 0 KJAFHM Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(I)c(=O)[n-]c3=O)C[C@@H]1O[P@]1(=O)OCc3cccc(C)c3O1)OC2 ZINC000095561200 562763308 /nfs/dbraw/zinc/76/33/08/562763308.db2.gz IVURHZQWNJOBND-ABZWYDJZSA-N -1 3 718.330 4.882 1 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095564647 562764387 /nfs/dbraw/zinc/76/43/87/562764387.db2.gz WSOKVHLNEBQLTR-STZBQRKKSA-N -1 3 699.874 4.911 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095564828 562764485 /nfs/dbraw/zinc/76/44/85/562764485.db2.gz RRZOLGOGARCUFV-SGQICDRISA-N -1 3 701.846 4.683 1 0 KJAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095566426 562764955 /nfs/dbraw/zinc/76/49/55/562764955.db2.gz HAHWSFSBPOSLGM-IOAOZTLTSA-N -1 3 703.837 4.742 1 0 KJAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095566641 562765141 /nfs/dbraw/zinc/76/51/41/562765141.db2.gz AWGLQKUPOBUMJU-NJQVLOCASA-N -1 3 689.810 4.813 1 0 KJAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095566655 562765153 /nfs/dbraw/zinc/76/51/53/562765153.db2.gz BIDQRLDEPABFFH-TZNXZYKKSA-N -1 3 671.820 4.674 1 0 KJAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095566933 562765368 /nfs/dbraw/zinc/76/53/68/562765368.db2.gz HAHWSFSBPOSLGM-LSJJIYBBSA-N -1 3 703.837 4.742 1 0 KJAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095567118 562765526 /nfs/dbraw/zinc/76/55/26/562765526.db2.gz NKHCTIRKNVNUBN-FYQCMVGJSA-N -1 3 605.679 4.858 1 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095567137 562765536 /nfs/dbraw/zinc/76/55/36/562765536.db2.gz RITKZSVCMAPQBX-WAWDLJLISA-N -1 3 685.847 4.982 1 0 KJAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095567400 562765746 /nfs/dbraw/zinc/76/57/46/562765746.db2.gz PIYCFRUDBRJOMI-AZAGJHQNSA-N -1 3 685.847 4.603 1 0 KJAFHM 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COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095567906 562766196 /nfs/dbraw/zinc/76/61/96/562766196.db2.gz MMCQQUXWRQHPLM-VDZJOXJSSA-N -1 3 649.732 4.796 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095567913 562766179 /nfs/dbraw/zinc/76/61/79/562766179.db2.gz PWZJYMSMMRWUND-ISVMRZDUSA-N -1 3 671.820 4.674 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095568075 562766289 /nfs/dbraw/zinc/76/62/89/562766289.db2.gz STJDOMVUESLTTO-QAJXPZEFSA-N -1 3 715.873 4.612 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2CC1=O ZINC000095568246 562766465 /nfs/dbraw/zinc/76/64/65/562766465.db2.gz XWPWDTCVAMRROJ-MKVNITDJSA-N -1 3 691.876 4.664 1 0 KJAFHM 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COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095569528 562767483 /nfs/dbraw/zinc/76/74/83/562767483.db2.gz STJDOMVUESLTTO-QOCGDCEFSA-N -1 3 715.873 4.612 1 0 KJAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(Cl)c(Cl)c1)O2 ZINC000095569767 562767643 /nfs/dbraw/zinc/76/76/43/562767643.db2.gz MEDOMUDOKAOXGY-URAKLDTCSA-N -1 3 639.602 4.680 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095569953 562767803 /nfs/dbraw/zinc/76/78/03/562767803.db2.gz STJDOMVUESLTTO-NNLWJYRWSA-N -1 3 715.873 4.612 1 0 KJAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095569968 562767835 /nfs/dbraw/zinc/76/78/35/562767835.db2.gz HAHWSFSBPOSLGM-FZLAZKPRSA-N -1 3 703.837 4.742 1 0 KJAFHM 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C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1C[C@H](C)C[C@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574028 562769842 /nfs/dbraw/zinc/76/98/42/562769842.db2.gz KVUJVLPXRBZVJO-XHSDSOJGSA-N -1 3 530.588 4.513 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1C[C@H](C)C[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574030 562769820 /nfs/dbraw/zinc/76/98/20/562769820.db2.gz KVUJVLPXRBZVJO-OAGGEKHMSA-N -1 3 530.588 4.513 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574442 562769974 /nfs/dbraw/zinc/76/99/74/562769974.db2.gz KGYKTLWJQXWFRQ-INIZCTEOSA-N -1 3 530.588 4.801 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574443 562769985 /nfs/dbraw/zinc/76/99/85/562769985.db2.gz KGYKTLWJQXWFRQ-MRXNPFEDSA-N -1 3 530.588 4.801 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@@H](OCc2ccccc2)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574566 562769992 /nfs/dbraw/zinc/76/99/92/562769992.db2.gz YFBLKKGWAFVLFT-PGRDOPGGSA-N -1 3 594.631 4.826 1 0 KJAFHM Nc1cc(Br)c(-c2nn3c(CCC(=O)c4nc5ccccc5[n-]4)nnc3s2)c(Br)c1 ZINC000095574993 562770119 /nfs/dbraw/zinc/77/01/19/562770119.db2.gz GCYBURLXQVPCHL-UHFFFAOYSA-N -1 3 547.236 4.652 1 0 KJAFHM CCCCCOC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000095575175 562770264 /nfs/dbraw/zinc/77/02/64/562770264.db2.gz AILCBSYTHGBXRH-NRYWBUFQSA-N -1 3 669.643 4.615 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(C)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095577032 562770864 /nfs/dbraw/zinc/77/08/64/562770864.db2.gz XVTZVRVVPOXNSG-HNNXBMFYSA-N -1 3 524.540 4.799 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(C)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095577033 562770836 /nfs/dbraw/zinc/77/08/36/562770836.db2.gz XVTZVRVVPOXNSG-OAHLLOKOSA-N -1 3 524.540 4.799 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)C[C@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095577418 562770949 /nfs/dbraw/zinc/77/09/49/562770949.db2.gz GNJFRVOGJVVKPG-SJORKVTESA-N -1 3 629.080 4.794 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)C[C@@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095577419 562770925 /nfs/dbraw/zinc/77/09/25/562770925.db2.gz GNJFRVOGJVVKPG-IRXDYDNUSA-N -1 3 629.080 4.794 1 0 KJAFHM Cc1ccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)cc1 ZINC000095577540 562771038 /nfs/dbraw/zinc/77/10/38/562771038.db2.gz KXCLISIPSBYMDJ-IBGZPJMESA-N -1 3 593.647 4.666 1 0 KJAFHM Cc1ccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)cc1 ZINC000095577541 562771010 /nfs/dbraw/zinc/77/10/10/562771010.db2.gz KXCLISIPSBYMDJ-LJQANCHMSA-N -1 3 593.647 4.666 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578659 562771376 /nfs/dbraw/zinc/77/13/76/562771376.db2.gz QCMDLBCKSGKEFB-HNNXBMFYSA-N -1 3 524.540 4.643 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578660 562771349 /nfs/dbraw/zinc/77/13/49/562771349.db2.gz QCMDLBCKSGKEFB-OAHLLOKOSA-N -1 3 524.540 4.643 1 0 KJAFHM CCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095578663 562771338 /nfs/dbraw/zinc/77/13/38/562771338.db2.gz HLHTZPFTYGCXCT-HNNXBMFYSA-N -1 3 530.588 4.657 1 0 KJAFHM CCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095578664 562771354 /nfs/dbraw/zinc/77/13/54/562771354.db2.gz HLHTZPFTYGCXCT-OAHLLOKOSA-N -1 3 530.588 4.657 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578805 562771399 /nfs/dbraw/zinc/77/13/99/562771399.db2.gz ZQDWMWXWVXDPCQ-HNNXBMFYSA-N -1 3 530.588 4.657 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578806 562771412 /nfs/dbraw/zinc/77/14/12/562771412.db2.gz ZQDWMWXWVXDPCQ-OAHLLOKOSA-N -1 3 530.588 4.657 1 0 KJAFHM CCc1nc2ccn(Cc3c(C)noc3C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095580931 562771988 /nfs/dbraw/zinc/77/19/88/562771988.db2.gz KVZLMWOIAUCUCF-SANMLTNESA-N -1 3 532.608 4.796 1 0 KJAFHM CCc1nc2ccn(Cc3c(C)noc3C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095580931 562771987 /nfs/dbraw/zinc/77/19/87/562771987.db2.gz KVZLMWOIAUCUCF-SANMLTNESA-N -1 3 532.608 4.796 1 0 KJAFHM CCc1nc2ccn(CC(=O)OCc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095581222 562772084 /nfs/dbraw/zinc/77/20/84/562772084.db2.gz KTJFAFPWSZEFRR-NDEPHWFRSA-N -1 3 571.641 4.887 1 0 KJAFHM CCc1nc2ccn(CC(=O)OCc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095581222 562772083 /nfs/dbraw/zinc/77/20/83/562772083.db2.gz KTJFAFPWSZEFRR-NDEPHWFRSA-N -1 3 571.641 4.887 1 0 KJAFHM CCc1nc2ccn(Cc3ccncc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095581725 562772293 /nfs/dbraw/zinc/77/22/93/562772293.db2.gz NGGYCBZCFBEEKM-SANMLTNESA-N -1 3 514.593 4.586 1 0 KJAFHM CCc1nc2ccn(Cc3ccncc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095581725 562772292 /nfs/dbraw/zinc/77/22/92/562772292.db2.gz NGGYCBZCFBEEKM-SANMLTNESA-N -1 3 514.593 4.586 1 0 KJAFHM CN1CCC(c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2F)CC1 ZINC000095582052 562772453 /nfs/dbraw/zinc/77/24/53/562772453.db2.gz PEXSAJQDRXQHJF-UHFFFAOYSA-N -1 3 500.980 4.872 1 0 KJAFHM CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncccn3)cc2Cl)C1 ZINC000095583154 562772850 /nfs/dbraw/zinc/77/28/50/562772850.db2.gz JSXVGWIEIORPHX-UHFFFAOYSA-N -1 3 549.415 4.866 1 0 KJAFHM O=S(=O)([N-]c1nncs1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(N3CCNCC3)c2)cc1F ZINC000095583192 562772830 /nfs/dbraw/zinc/77/28/30/562772830.db2.gz HWWVSRRMMSKWFT-UHFFFAOYSA-N -1 3 565.027 4.534 1 0 KJAFHM O=C(NCCOc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1)c1cc(=O)c([O-])co1 ZINC000095583717 562773018 /nfs/dbraw/zinc/77/30/18/562773018.db2.gz XLOJXGLZDLENAS-UHFFFAOYSA-N -1 3 585.429 4.535 1 0 KJAFHM CCc1nc2ccn(Cc3ccccn3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095584319 562773209 /nfs/dbraw/zinc/77/32/09/562773209.db2.gz XHLKCEYNQMCDRS-SANMLTNESA-N -1 3 514.593 4.586 1 0 KJAFHM CCc1nc2ccn(Cc3ccccn3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095584319 562773208 /nfs/dbraw/zinc/77/32/08/562773208.db2.gz XHLKCEYNQMCDRS-SANMLTNESA-N -1 3 514.593 4.586 1 0 KJAFHM CCc1nc2ccn(Cc3cccnc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095585773 562773690 /nfs/dbraw/zinc/77/36/90/562773690.db2.gz VAKAMIMEKPQCGO-SANMLTNESA-N -1 3 514.593 4.586 1 0 KJAFHM CCc1nc2ccn(Cc3cccnc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095585773 562773689 /nfs/dbraw/zinc/77/36/89/562773689.db2.gz VAKAMIMEKPQCGO-SANMLTNESA-N -1 3 514.593 4.586 1 0 KJAFHM CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(=O)c3ccc([O-])cc3)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000095587291 562774250 /nfs/dbraw/zinc/77/42/50/562774250.db2.gz PXEZNJMSWQVGOE-HRSZXCBJSA-N -1 3 661.704 4.755 1 0 KJAFHM CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN4CCOCC4)c(C)c3oc2=O)ccc1[O-] ZINC000095593915 562776373 /nfs/dbraw/zinc/77/63/73/562776373.db2.gz JNRQIVZWAIITMZ-UHFFFAOYSA-N -1 3 506.599 4.669 1 0 KJAFHM CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN4CCN(C)CC4)c(C)c3oc2=O)ccc1[O-] ZINC000095595894 562776854 /nfs/dbraw/zinc/77/68/54/562776854.db2.gz GNXJXJTYQJGURK-UHFFFAOYSA-N -1 3 519.642 4.584 1 0 KJAFHM COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)nc1[N-]S(=O)(=O)c1ccc(-c2cc(C)cs2)cc1Cl ZINC000095598532 562777427 /nfs/dbraw/zinc/77/74/27/562777427.db2.gz SHGYFAFEPJKJQN-IYBDPMFKSA-N -1 3 507.081 4.768 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095598744 562777502 /nfs/dbraw/zinc/77/75/02/562777502.db2.gz XYAADFDZSRWQSJ-XFBASLRHSA-N -1 3 689.810 4.813 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599053 562777727 /nfs/dbraw/zinc/77/77/27/562777727.db2.gz ZCAOAHPFTIOTOW-DWYUEALBSA-N -1 3 723.861 4.882 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095599174 562777796 /nfs/dbraw/zinc/77/77/96/562777796.db2.gz ASXOPKJUZOYWLJ-CGQTXMLISA-N -1 3 637.696 4.926 1 0 KJAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095599193 562777808 /nfs/dbraw/zinc/77/78/08/562777808.db2.gz GEOCHRKREBIDMG-DKGMKSHISA-N -1 3 619.706 4.787 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599235 562777861 /nfs/dbraw/zinc/77/78/61/562777861.db2.gz PWZJYMSMMRWUND-RDXDNIQESA-N -1 3 671.820 4.674 1 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@H](C)O3)cc1 ZINC000095599378 562778013 /nfs/dbraw/zinc/77/80/13/562778013.db2.gz MAVYHSKQCPJJQP-UYICUSKSSA-N -1 3 701.908 4.912 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(C)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599426 562778056 /nfs/dbraw/zinc/77/80/56/562778056.db2.gz SSLPDWPDZJOMMX-WMVXZGOPSA-N -1 3 731.934 4.921 1 0 KJAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599851 562778385 /nfs/dbraw/zinc/77/83/85/562778385.db2.gz ZBPKQJKPBAJGFS-HIRWGAFWSA-N -1 3 623.669 4.997 1 0 KJAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(Cl)c(Cl)c1)O2 ZINC000095600132 562778610 /nfs/dbraw/zinc/77/86/10/562778610.db2.gz MEDOMUDOKAOXGY-UHMYUZELSA-N -1 3 639.602 4.680 1 0 KJAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000095600233 562778736 /nfs/dbraw/zinc/77/87/36/562778736.db2.gz AHUZFXYFUYFNSB-IECBHUPTSA-N -1 3 611.708 4.920 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095600266 562778776 /nfs/dbraw/zinc/77/87/76/562778776.db2.gz BIDQRLDEPABFFH-RNDKRWLGSA-N -1 3 671.820 4.674 1 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095600298 562778783 /nfs/dbraw/zinc/77/87/83/562778783.db2.gz AGVDCEUXSGPQDC-USUMGCFOSA-N -1 3 685.847 4.982 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095600310 562778787 /nfs/dbraw/zinc/77/87/87/562778787.db2.gz MMCQQUXWRQHPLM-IABYTQIASA-N -1 3 649.732 4.796 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600400 562778887 /nfs/dbraw/zinc/77/88/87/562778887.db2.gz OTOHUSBCCBGSPA-OJQFFXEZSA-N -1 3 735.897 4.751 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095600568 562779039 /nfs/dbraw/zinc/77/90/39/562779039.db2.gz AWGLQKUPOBUMJU-KECSPFHLSA-N -1 3 689.810 4.813 1 0 KJAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095600748 562779208 /nfs/dbraw/zinc/77/92/08/562779208.db2.gz BIDQRLDEPABFFH-UTKFAANNSA-N -1 3 671.820 4.674 1 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)OCCCC[C@H](C)O3)cc1 ZINC000095600902 562779344 /nfs/dbraw/zinc/77/93/44/562779344.db2.gz GWNYCBOFPRGHHP-GURVGDRESA-N -1 3 707.937 4.974 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095600925 562779310 /nfs/dbraw/zinc/77/93/10/562779310.db2.gz FEYBLBFDAMWCAP-IOKPGSKQSA-N -1 3 623.669 4.997 1 0 KJAFHM O=C(C[C@H]1C[C@@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095600947 562779395 /nfs/dbraw/zinc/77/93/95/562779395.db2.gz GJUZXHBLRFQGNS-DUWKQBIGSA-N -1 3 602.684 4.994 1 0 KJAFHM O=C(C[C@@H]1C[C@@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095600957 562779347 /nfs/dbraw/zinc/77/93/47/562779347.db2.gz GJUZXHBLRFQGNS-SWADQOEESA-N -1 3 602.684 4.994 1 0 KJAFHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(OC[C@H]3CCCN3C)c2)cc1OC ZINC000095601228 562779486 /nfs/dbraw/zinc/77/94/86/562779486.db2.gz JMQNCCWMPGDMET-CQSZACIVSA-N -1 3 553.397 4.759 1 0 KJAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095601271 562779529 /nfs/dbraw/zinc/77/95/29/562779529.db2.gz FEYBLBFDAMWCAP-SEXOINJZSA-N -1 3 623.669 4.997 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095601610 562779664 /nfs/dbraw/zinc/77/96/64/562779664.db2.gz RRZOLGOGARCUFV-RDXDNIQESA-N -1 3 701.846 4.683 1 0 KJAFHM CN(C)C(=O)Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1 ZINC000095602249 562779981 /nfs/dbraw/zinc/77/99/81/562779981.db2.gz DBRHIPPJIGTDQK-UHFFFAOYSA-N -1 3 649.004 4.629 1 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095602293 562779989 /nfs/dbraw/zinc/77/99/89/562779989.db2.gz WSOKVHLNEBQLTR-VWGARZEKSA-N -1 3 699.874 4.911 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095602714 562780183 /nfs/dbraw/zinc/78/01/83/562780183.db2.gz OTOHUSBCCBGSPA-GJWZSCNASA-N -1 3 735.897 4.751 1 0 KJAFHM CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(I)c(=O)[n-]2)=N1 ZINC000095602847 562780235 /nfs/dbraw/zinc/78/02/35/562780235.db2.gz WAHURWKRLNXZOW-IBGZPJMESA-N -1 3 532.813 4.683 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095603003 562780273 /nfs/dbraw/zinc/78/02/73/562780273.db2.gz GEOCHRKREBIDMG-BXOOBUKZSA-N -1 3 619.706 4.787 1 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095603088 562780326 /nfs/dbraw/zinc/78/03/26/562780326.db2.gz ZBPKQJKPBAJGFS-NKQBKRSGSA-N -1 3 623.669 4.997 1 0 KJAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095603434 562780558 /nfs/dbraw/zinc/78/05/58/562780558.db2.gz PRQRUJNJXSREOQ-LWPQGVMLSA-N -1 3 677.849 4.736 1 0 KJAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095603731 562780668 /nfs/dbraw/zinc/78/06/68/562780668.db2.gz ZCAOAHPFTIOTOW-ZZGLAUBNSA-N -1 3 723.861 4.882 1 0 KJAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000095603763 562780684 /nfs/dbraw/zinc/78/06/84/562780684.db2.gz AHUZFXYFUYFNSB-KHCICDEESA-N -1 3 611.708 4.920 1 0 KJAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O 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4.849 1 0 KJAFHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(OC[C@@H]3CCCN3C)c2)cc1OC ZINC000095604688 562781152 /nfs/dbraw/zinc/78/11/52/562781152.db2.gz JMQNCCWMPGDMET-AWEZNQCLSA-N -1 3 553.397 4.759 1 0 KJAFHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(O[C@H]3CCCN(C)C3)c2)cc1OC ZINC000095604930 562781272 /nfs/dbraw/zinc/78/12/72/562781272.db2.gz UBEONDKALMHPEG-AWEZNQCLSA-N -1 3 553.397 4.759 1 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095605395 562781519 /nfs/dbraw/zinc/78/15/19/562781519.db2.gz AGVDCEUXSGPQDC-AZAGJHQNSA-N -1 3 685.847 4.982 1 0 KJAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095605439 562781525 /nfs/dbraw/zinc/78/15/25/562781525.db2.gz ASXOPKJUZOYWLJ-FONBTEPMSA-N -1 3 637.696 4.926 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095605693 562781655 /nfs/dbraw/zinc/78/16/55/562781655.db2.gz MMCQQUXWRQHPLM-DGIFUFQNSA-N -1 3 649.732 4.796 1 0 KJAFHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(O[C@@H]3CCCN(C)C3)c2)cc1OC ZINC000095605880 562781784 /nfs/dbraw/zinc/78/17/84/562781784.db2.gz UBEONDKALMHPEG-CQSZACIVSA-N -1 3 553.397 4.759 1 0 KJAFHM CC[C@H]1OC(=O)C(C)=C([O-])[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2OC(=O)N3C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H]2N(c3ccc(N4CCOCC4)c(F)c3)C(=O)O[C@@]21C ZINC000095612605 562785655 /nfs/dbraw/zinc/78/56/55/562785655.db2.gz NQPFXLIJGNZYRC-VEIMUWOESA-N -1 3 803.922 4.899 1 0 KJAFHM CO[C@@]1([O-])C(=O)c2ccccc2O[C@@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000095615575 562787351 /nfs/dbraw/zinc/78/73/51/562787351.db2.gz PYOXCOQTXHZYRS-UIOOFZCWSA-N -1 3 521.367 4.711 1 0 KJAFHM CO[C@@]1([O-])C(=O)c2ccccc2O[C@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000095615576 562787390 /nfs/dbraw/zinc/78/73/90/562787390.db2.gz PYOXCOQTXHZYRS-IZZNHLLZSA-N -1 3 521.367 4.711 1 0 KJAFHM COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095735907 562788781 /nfs/dbraw/zinc/78/87/81/562788781.db2.gz HDHYOMUMYQWAQB-GAQVVXLESA-N -1 3 735.897 4.751 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@H](C)O3)cc1 ZINC000095773344 562789020 /nfs/dbraw/zinc/78/90/20/562789020.db2.gz OKCBYNTZIRANME-IAYPMUAMSA-N -1 3 717.907 4.612 1 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)OCCCC[C@@H](C)O3)cc1 ZINC000095781976 562789095 /nfs/dbraw/zinc/78/90/95/562789095.db2.gz GWNYCBOFPRGHHP-KUXNCQQFSA-N -1 3 707.937 4.974 1 0 KJAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095846577 562789540 /nfs/dbraw/zinc/78/95/40/562789540.db2.gz FEYBLBFDAMWCAP-OSOCVKALSA-N -1 3 623.669 4.997 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095847383 562789546 /nfs/dbraw/zinc/78/95/46/562789546.db2.gz MMCQQUXWRQHPLM-NPKFRGRUSA-N -1 3 649.732 4.796 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095854895 562789646 /nfs/dbraw/zinc/78/96/46/562789646.db2.gz IIKKFGUOBGVCMI-GVNDJSPXSA-N -1 3 635.705 4.867 1 0 KJAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095862627 562789696 /nfs/dbraw/zinc/78/96/96/562789696.db2.gz BETMRPFKYDXCSX-HIRWGAFWSA-N -1 3 578.641 4.520 1 0 KJAFHM CC(=O)O[C@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc([O-])cc3)CC(C)=C[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000095909187 291858385 /nfs/dbraw/zinc/85/83/85/291858385.db2.gz HBBWIHLDILZQDU-PMWCCKDCSA-N -1 3 536.621 4.838 1 0 biogenic,in-vitro KJAFHM CC(=O)[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@H](Oc1cc([O-])c2c(c1)O[C@H](c1ccccc1)CC2=O)c1ccccc1 ZINC000095911783 560057911 /nfs/dbraw/zinc/05/79/11/560057911.db2.gz UBRQHXUVYDXHOP-OVCJHIJQSA-N -1 3 514.530 4.507 1 0 biogenic,in-vitro KJAFHM Cc1cc2nc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nnc2cc1-c1cc([O-])ccc1Cl ZINC000096167817 562790659 /nfs/dbraw/zinc/79/06/59/562790659.db2.gz QMYFDPSEBZLKFW-UHFFFAOYSA-N -1 3 553.088 4.819 1 0 KJAFHM Cc1cc(-c2c(F)ccc([O-])c2F)cc2nnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nc12 ZINC000096167823 562790703 /nfs/dbraw/zinc/79/07/03/562790703.db2.gz NUVNTCMRLVOTEJ-UHFFFAOYSA-N -1 3 539.608 4.987 1 0 KJAFHM COC(=O)c1sccc1S(=O)(=O)[N-]C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174078 562791649 /nfs/dbraw/zinc/79/16/49/562791649.db2.gz IPOMQFKSRKWRFO-UHFFFAOYSA-N -1 3 627.752 4.844 1 0 KJAFHM Cc1noc(C)c1S(=O)(=O)[N-]C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174079 562791620 /nfs/dbraw/zinc/79/16/20/562791620.db2.gz FNSLAJGDRDCPBK-UHFFFAOYSA-N -1 3 582.690 4.601 1 0 KJAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(N4CCN(C)CC4)nc32)c1 ZINC000096175730 562791949 /nfs/dbraw/zinc/79/19/49/562791949.db2.gz VXZKQLQQLXPYAM-UHFFFAOYSA-N -1 3 632.791 4.759 1 0 KJAFHM COCCN1CCN(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175731 562791945 /nfs/dbraw/zinc/79/19/45/562791945.db2.gz VOLFXRJKCLSNJL-UHFFFAOYSA-N -1 3 676.844 4.775 1 0 KJAFHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2OCCO)N(c2nc4cc(OC)ccc4s2)C3=O)cc1 ZINC000096177125 562792370 /nfs/dbraw/zinc/79/23/70/562792370.db2.gz IYTYWVOUFWKUAK-AREMUKBSSA-N -1 3 528.590 4.825 1 0 KJAFHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2OCCO)N(c2nc4cc(OC)ccc4s2)C3=O)cc1 ZINC000096177125 562792369 /nfs/dbraw/zinc/79/23/69/562792369.db2.gz IYTYWVOUFWKUAK-AREMUKBSSA-N -1 3 528.590 4.825 1 0 KJAFHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2OCCO)N(c2nc4ccc(OC)cc4s2)C3=O)cc1 ZINC000096177126 562792384 /nfs/dbraw/zinc/79/23/84/562792384.db2.gz UPKKEMWTPBCPJG-AREMUKBSSA-N -1 3 528.590 4.825 1 0 KJAFHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2OCCO)N(c2nc4ccc(OC)cc4s2)C3=O)cc1 ZINC000096177126 562792383 /nfs/dbraw/zinc/79/23/83/562792383.db2.gz UPKKEMWTPBCPJG-AREMUKBSSA-N -1 3 528.590 4.825 1 0 KJAFHM C[C@@H](Oc1c[nH]c(=O)c(-c2nc3cc(C(=O)NCCN4CCOCC4)ccc3[n-]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258121 562792819 /nfs/dbraw/zinc/79/28/19/562792819.db2.gz YKBMCRKMIUWRNN-OAHLLOKOSA-N -1 3 574.440 4.566 1 0 KJAFHM C[C@@H](Oc1c[nH]c(=O)c(-c2nc3ccc(C(=O)NCCN4CCOCC4)cc3[n-]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258121 562792818 /nfs/dbraw/zinc/79/28/18/562792818.db2.gz YKBMCRKMIUWRNN-OAHLLOKOSA-N -1 3 574.440 4.566 1 0 KJAFHM C[C@@H](Oc1c[nH]c(=O)c(-c2nc3cc(C(=O)NCCN(C)C)ccc3[n-]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258123 562792833 /nfs/dbraw/zinc/79/28/33/562792833.db2.gz CXMGCPWPVZUUNH-CYBMUJFWSA-N -1 3 532.403 4.796 1 0 KJAFHM C[C@@H](Oc1c[nH]c(=O)c(-c2nc3ccc(C(=O)NCCN(C)C)cc3[n-]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258123 562792832 /nfs/dbraw/zinc/79/28/32/562792832.db2.gz CXMGCPWPVZUUNH-CYBMUJFWSA-N -1 3 532.403 4.796 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270897 562793477 /nfs/dbraw/zinc/79/34/77/562793477.db2.gz STEPCDIKNHKBAS-AWEZNQCLSA-N -1 3 543.514 4.749 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270898 562793505 /nfs/dbraw/zinc/79/35/05/562793505.db2.gz STEPCDIKNHKBAS-CQSZACIVSA-N -1 3 543.514 4.749 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270905 562793443 /nfs/dbraw/zinc/79/34/43/562793443.db2.gz XNFPWYWMCYIYGM-INIZCTEOSA-N -1 3 539.551 4.652 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270906 562793480 /nfs/dbraw/zinc/79/34/80/562793480.db2.gz XNFPWYWMCYIYGM-MRXNPFEDSA-N -1 3 539.551 4.652 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270907 562793483 /nfs/dbraw/zinc/79/34/83/562793483.db2.gz FBHDYYFOUQYWAU-HNNXBMFYSA-N -1 3 525.524 4.610 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270908 562793492 /nfs/dbraw/zinc/79/34/92/562793492.db2.gz FBHDYYFOUQYWAU-OAHLLOKOSA-N -1 3 525.524 4.610 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270911 562793529 /nfs/dbraw/zinc/79/35/29/562793529.db2.gz PSNFMABSQFPXLH-AWEZNQCLSA-N -1 3 511.497 4.823 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270912 562793561 /nfs/dbraw/zinc/79/35/61/562793561.db2.gz PSNFMABSQFPXLH-CQSZACIVSA-N -1 3 511.497 4.823 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270921 562793565 /nfs/dbraw/zinc/79/35/65/562793565.db2.gz OFQBDQLVKHWEQZ-HNNXBMFYSA-N -1 3 531.572 4.990 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270922 562793527 /nfs/dbraw/zinc/79/35/27/562793527.db2.gz OFQBDQLVKHWEQZ-OAHLLOKOSA-N -1 3 531.572 4.990 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270923 562793555 /nfs/dbraw/zinc/79/35/55/562793555.db2.gz DTBMJHFLGHNUPY-AWEZNQCLSA-N -1 3 517.545 4.600 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270924 562793551 /nfs/dbraw/zinc/79/35/51/562793551.db2.gz DTBMJHFLGHNUPY-CQSZACIVSA-N -1 3 517.545 4.600 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1Cc2ccccc2C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270929 562793515 /nfs/dbraw/zinc/79/35/15/562793515.db2.gz AJWMPJDGSRZQJW-HNNXBMFYSA-N -1 3 551.562 4.577 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1Cc2ccccc2C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270930 562793531 /nfs/dbraw/zinc/79/35/31/562793531.db2.gz AJWMPJDGSRZQJW-OAHLLOKOSA-N -1 3 551.562 4.577 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270931 562793521 /nfs/dbraw/zinc/79/35/21/562793521.db2.gz HVTZMXBJKILTDB-INIZCTEOSA-N -1 3 618.650 4.809 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270932 562793543 /nfs/dbraw/zinc/79/35/43/562793543.db2.gz HVTZMXBJKILTDB-MRXNPFEDSA-N -1 3 618.650 4.809 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270942 562793569 /nfs/dbraw/zinc/79/35/69/562793569.db2.gz RRGLFNVNVCTGLA-CSLYMUCUSA-N -1 3 531.572 4.988 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270943 562793581 /nfs/dbraw/zinc/79/35/81/562793581.db2.gz RRGLFNVNVCTGLA-SWKXRBFHSA-N -1 3 531.572 4.988 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270944 562793625 /nfs/dbraw/zinc/79/36/25/562793625.db2.gz UBMXEGSCJMWCHI-AWEZNQCLSA-N -1 3 517.545 4.742 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270945 562793629 /nfs/dbraw/zinc/79/36/29/562793629.db2.gz UBMXEGSCJMWCHI-CQSZACIVSA-N -1 3 517.545 4.742 1 0 KJAFHM CCC(CC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270954 562793599 /nfs/dbraw/zinc/79/35/99/562793599.db2.gz JHVBWHZIPFXJAB-ZDUSSCGKSA-N -1 3 505.534 4.598 1 0 KJAFHM CCC(CC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270955 562793611 /nfs/dbraw/zinc/79/36/11/562793611.db2.gz JHVBWHZIPFXJAB-CYBMUJFWSA-N -1 3 505.534 4.598 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCC(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270956 562793591 /nfs/dbraw/zinc/79/35/91/562793591.db2.gz WFHQEPFKVBZUFN-AWEZNQCLSA-N -1 3 519.561 4.846 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCC(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270957 562793577 /nfs/dbraw/zinc/79/35/77/562793577.db2.gz WFHQEPFKVBZUFN-CQSZACIVSA-N -1 3 519.561 4.846 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCCOc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270960 562793583 /nfs/dbraw/zinc/79/35/83/562793583.db2.gz UQEAWXYIEYOXCI-KRWDZBQOSA-N -1 3 569.577 4.879 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCCOc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270961 562793587 /nfs/dbraw/zinc/79/35/87/562793587.db2.gz UQEAWXYIEYOXCI-QGZVFWFLSA-N -1 3 569.577 4.879 1 0 KJAFHM CCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270974 562793627 /nfs/dbraw/zinc/79/36/27/562793627.db2.gz VINDVVXFEAXDEX-AWEZNQCLSA-N -1 3 505.534 4.600 1 0 KJAFHM CCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270975 562793617 /nfs/dbraw/zinc/79/36/17/562793617.db2.gz VINDVVXFEAXDEX-CQSZACIVSA-N -1 3 505.534 4.600 1 0 KJAFHM COc1cc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc(OC)c1 ZINC000096270992 562793635 /nfs/dbraw/zinc/79/36/35/562793635.db2.gz HSHDULFVPYOJAG-HNNXBMFYSA-N -1 3 585.576 4.627 1 0 KJAFHM COc1cc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc(OC)c1 ZINC000096270993 562793660 /nfs/dbraw/zinc/79/36/60/562793660.db2.gz HSHDULFVPYOJAG-OAHLLOKOSA-N -1 3 585.576 4.627 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cc(F)cc(F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270996 562793668 /nfs/dbraw/zinc/79/36/68/562793668.db2.gz KWTKHLYKNKCDDX-ZDUSSCGKSA-N -1 3 561.504 4.888 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cc(F)cc(F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270997 562793666 /nfs/dbraw/zinc/79/36/66/562793666.db2.gz KWTKHLYKNKCDDX-CYBMUJFWSA-N -1 3 561.504 4.888 1 0 KJAFHM COc1cccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000096270998 562793643 /nfs/dbraw/zinc/79/36/43/562793643.db2.gz ICDWKHYPDOHCOB-HNNXBMFYSA-N -1 3 555.550 4.619 1 0 KJAFHM COc1cccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000096270999 562793682 /nfs/dbraw/zinc/79/36/82/562793682.db2.gz ICDWKHYPDOHCOB-OAHLLOKOSA-N -1 3 555.550 4.619 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096271002 562793653 /nfs/dbraw/zinc/79/36/53/562793653.db2.gz OBXGYXWGYWCELN-AWEZNQCLSA-N -1 3 543.514 4.749 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096271003 562793645 /nfs/dbraw/zinc/79/36/45/562793645.db2.gz OBXGYXWGYWCELN-CQSZACIVSA-N -1 3 543.514 4.749 1 0 KJAFHM COc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096271004 562793637 /nfs/dbraw/zinc/79/36/37/562793637.db2.gz RNHXJFOYOKPFSA-HNNXBMFYSA-N -1 3 555.550 4.619 1 0 KJAFHM COc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096271005 562793678 /nfs/dbraw/zinc/79/36/78/562793678.db2.gz RNHXJFOYOKPFSA-OAHLLOKOSA-N -1 3 555.550 4.619 1 0 KJAFHM COc1ccc2nc([N-]c3cc(C(F)(F)c4ccc(F)cc4)nc(N4CCC[C@H]4C(N)=O)n3)sc2c1 ZINC000096285825 562795923 /nfs/dbraw/zinc/79/59/23/562795923.db2.gz KBSZCUYNEUTCRR-KRWDZBQOSA-N -1 3 514.533 4.572 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccco1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286058 562796006 /nfs/dbraw/zinc/79/60/06/562796006.db2.gz JIKOPVIOAAKJBY-ZDUSSCGKSA-N -1 3 531.553 4.916 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccco1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286059 562796024 /nfs/dbraw/zinc/79/60/24/562796024.db2.gz JIKOPVIOAAKJBY-CYBMUJFWSA-N -1 3 531.553 4.916 1 0 KJAFHM O=C(COc1ccc(Cl)cc1)[N-]c1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn21 ZINC000096308851 562796459 /nfs/dbraw/zinc/79/64/59/562796459.db2.gz NFPYWBMZBCSKTO-UHFFFAOYSA-N -1 3 513.945 4.648 1 0 KJAFHM O=C(CSc1nnc([N-]C(=O)c2c(Cl)cccc2Cl)s1)Nc1ccc(Br)cn1 ZINC000096908541 562799379 /nfs/dbraw/zinc/79/93/79/562799379.db2.gz YAIHXDWVCKOFHF-UHFFFAOYSA-N -1 3 519.233 4.986 1 0 KJAFHM COc1cc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1ccccc1[O-] ZINC000096909589 562799670 /nfs/dbraw/zinc/79/96/70/562799670.db2.gz WQTYCGVKBXGWFQ-SQJMNOBHSA-N -1 3 519.642 4.864 1 0 KJAFHM CO[C@H]1c2cc3c(c(c2[O-])NC(=O)/C(C)=C/C=C\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@@H](OC)[C@@H](OC)C[C@@H]1C)SCC(=O)N3 ZINC000096911578 562800218 /nfs/dbraw/zinc/80/02/18/562800218.db2.gz GYBQYXANPDPLKQ-DJQZFUDLSA-N -1 3 647.791 4.696 1 0 KJAFHM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3cc(-c4ccc(Cl)cc4)nn3c2)c1F ZINC000096937600 562804293 /nfs/dbraw/zinc/80/42/93/562804293.db2.gz AUAASSAIAFFIHE-UHFFFAOYSA-N -1 3 505.934 4.732 1 0 KJAFHM Cc1c([N-]S(=O)(=O)c2c(Cl)cc(-c3ccnc(N4CCNCC4)c3)cc2Cl)c(CC(C)C)nn1C ZINC000098209285 562806054 /nfs/dbraw/zinc/80/60/54/562806054.db2.gz WKTSLVQYGBHNRV-UHFFFAOYSA-N -1 3 537.517 4.506 1 0 in-vitro KJAFHM O=S(=O)([N-][C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccn1 ZINC000100061189 562806514 /nfs/dbraw/zinc/80/65/14/562806514.db2.gz IHTDUZYFQXWLFI-QRTMHTFLSA-N -1 3 527.014 4.604 1 0 KJAFHM CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H]([N-]S(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 ZINC000100070052 562806565 /nfs/dbraw/zinc/80/65/65/562806565.db2.gz LASDMXNHWPCZMK-WGSAOQKQSA-N -1 3 571.969 4.696 1 0 KJAFHM CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H]([N-]S(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 ZINC000100070057 562806540 /nfs/dbraw/zinc/80/65/40/562806540.db2.gz LASDMXNHWPCZMK-KDURUIRLSA-N -1 3 571.969 4.696 1 0 KJAFHM CC(C)(C(=O)[O-])c1cc(-c2cc3c(N)[nH]ccc-3n2)c(O)c(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1 ZINC000101090956 562809115 /nfs/dbraw/zinc/80/91/15/562809115.db2.gz KQROUHWYZMVGES-NDEPHWFRSA-N -1 3 564.642 4.718 1 0 KJAFHM CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H]([N-]S(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 ZINC000101092780 562809170 /nfs/dbraw/zinc/80/91/70/562809170.db2.gz JOQJONDKZULBPP-MXVIHJGJSA-N -1 3 510.075 4.678 1 0 KJAFHM CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H]([N-]S(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 ZINC000101093460 562809203 /nfs/dbraw/zinc/80/92/03/562809203.db2.gz DGLBBHYIYLVQGF-OYRHEFFESA-N -1 3 510.075 4.678 1 0 KJAFHM CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H]([N-]S(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 ZINC000101127731 562809383 /nfs/dbraw/zinc/80/93/83/562809383.db2.gz JOQJONDKZULBPP-BGYRXZFFSA-N -1 3 510.075 4.678 1 0 KJAFHM CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 ZINC000101127751 562809358 /nfs/dbraw/zinc/80/93/58/562809358.db2.gz DGLBBHYIYLVQGF-MEMLXQNLSA-N -1 3 510.075 4.678 1 0 KJAFHM COc1ccccc1-n1c([O-])c2nc3ccccc3c-2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000101877471 562812297 /nfs/dbraw/zinc/81/22/97/562812297.db2.gz RPLRDSANCHYJSV-UHFFFAOYSA-N -1 3 513.579 4.929 1 0 KJAFHM O=C(COc1ccc(Cl)cc1Cl)[N-]C(=S)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000103167367 562814649 /nfs/dbraw/zinc/81/46/49/562814649.db2.gz OXROTYUOQHHHDR-UHFFFAOYSA-N -1 3 503.820 4.969 1 0 KJAFHM CCCCc1nc2ccn(C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103183814 562815294 /nfs/dbraw/zinc/81/52/94/562815294.db2.gz UADAKUBGKZSBRB-UHFFFAOYSA-N -1 3 524.629 4.746 1 0 KJAFHM CCCCc1nc2ccn(C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103183814 562815293 /nfs/dbraw/zinc/81/52/93/562815293.db2.gz UADAKUBGKZSBRB-UHFFFAOYSA-N -1 3 524.629 4.746 1 0 KJAFHM CCCCc1nc2ccn(C(=O)N3CCC[C@@H]3C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103188290 562815551 /nfs/dbraw/zinc/81/55/51/562815551.db2.gz AHDGRHLDNRNODR-MUUNZHRXSA-N -1 3 621.746 4.737 1 0 KJAFHM CCCCc1nc2ccn(C(=O)N3CCC[C@@H]3C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103188290 562815550 /nfs/dbraw/zinc/81/55/50/562815550.db2.gz AHDGRHLDNRNODR-MUUNZHRXSA-N -1 3 621.746 4.737 1 0 KJAFHM CCCCc1nc2ccn(C(=O)N3CCC[C@H]3C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103188293 562815566 /nfs/dbraw/zinc/81/55/66/562815566.db2.gz AHDGRHLDNRNODR-NDEPHWFRSA-N -1 3 621.746 4.737 1 0 KJAFHM CCCCc1nc2ccn(C(=O)N3CCC[C@H]3C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103188293 562815565 /nfs/dbraw/zinc/81/55/65/562815565.db2.gz AHDGRHLDNRNODR-NDEPHWFRSA-N -1 3 621.746 4.737 1 0 KJAFHM CCCCc1nc2ccn(C(=O)NC(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103188304 562815562 /nfs/dbraw/zinc/81/55/62/562815562.db2.gz PSDZTDQNKXUFSB-UHFFFAOYSA-N -1 3 524.629 4.792 1 0 KJAFHM CCCCc1nc2ccn(C(=O)NC(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103188304 562815561 /nfs/dbraw/zinc/81/55/61/562815561.db2.gz PSDZTDQNKXUFSB-UHFFFAOYSA-N -1 3 524.629 4.792 1 0 KJAFHM O=C(CN1CCOCC1)Nc1nc(-c2ccccc2[O-])cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103193441 562815743 /nfs/dbraw/zinc/81/57/43/562815743.db2.gz XIMKZMRQLNTVDC-UHFFFAOYSA-N -1 3 510.381 4.642 1 0 KJAFHM CCCCc1nnc(NCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103209980 562816659 /nfs/dbraw/zinc/81/66/59/562816659.db2.gz KRPIVSIDVREHGT-UHFFFAOYSA-N -1 3 507.602 4.714 1 0 KJAFHM CCCCc1nnc(NCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103209980 562816658 /nfs/dbraw/zinc/81/66/58/562816658.db2.gz KRPIVSIDVREHGT-UHFFFAOYSA-N -1 3 507.602 4.714 1 0 KJAFHM CCCCc1nnc(NCc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103211624 562816737 /nfs/dbraw/zinc/81/67/37/562816737.db2.gz GDVVTVVKMMNPOZ-UHFFFAOYSA-N -1 3 537.628 4.722 1 0 KJAFHM CCCCc1nnc(NCc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103211624 562816736 /nfs/dbraw/zinc/81/67/36/562816736.db2.gz GDVVTVVKMMNPOZ-UHFFFAOYSA-N -1 3 537.628 4.722 1 0 KJAFHM CCCCc1nnc(OCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103213254 562816837 /nfs/dbraw/zinc/81/68/37/562816837.db2.gz ZRPWJOOTQJAZGJ-UHFFFAOYSA-N -1 3 508.586 4.680 1 0 KJAFHM CCCCc1nnc(OCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103213254 562816836 /nfs/dbraw/zinc/81/68/36/562816836.db2.gz ZRPWJOOTQJAZGJ-UHFFFAOYSA-N -1 3 508.586 4.680 1 0 KJAFHM CCCCc1nnc(OCCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103213258 562816823 /nfs/dbraw/zinc/81/68/23/562816823.db2.gz ANMOOVWZHUIRCD-UHFFFAOYSA-N -1 3 522.613 4.723 1 0 KJAFHM CCCCc1nnc(OCCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103213258 562816822 /nfs/dbraw/zinc/81/68/22/562816822.db2.gz ANMOOVWZHUIRCD-UHFFFAOYSA-N -1 3 522.613 4.723 1 0 KJAFHM CCCCc1nnc(SCc2ccccc2CO)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103214559 562816905 /nfs/dbraw/zinc/81/69/05/562816905.db2.gz BSCUCGHZILMSBJ-UHFFFAOYSA-N -1 3 554.680 4.886 1 0 KJAFHM CCCCc1nnc(SCc2ccccc2CO)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103214559 562816904 /nfs/dbraw/zinc/81/69/04/562816904.db2.gz BSCUCGHZILMSBJ-UHFFFAOYSA-N -1 3 554.680 4.886 1 0 KJAFHM CCCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103214567 562816958 /nfs/dbraw/zinc/81/69/58/562816958.db2.gz PFWKGVRODKMEPZ-UHFFFAOYSA-N -1 3 591.097 4.729 1 0 KJAFHM CCCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103214567 562816957 /nfs/dbraw/zinc/81/69/57/562816957.db2.gz PFWKGVRODKMEPZ-UHFFFAOYSA-N -1 3 591.097 4.729 1 0 KJAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224406 562817542 /nfs/dbraw/zinc/81/75/42/562817542.db2.gz RXGVOKRXYLZGLO-UHFFFAOYSA-N -1 3 593.074 4.932 1 0 KJAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224408 562817534 /nfs/dbraw/zinc/81/75/34/562817534.db2.gz QCXBFZVBKFNEIG-UHFFFAOYSA-N -1 3 593.074 4.932 1 0 KJAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224411 562817551 /nfs/dbraw/zinc/81/75/51/562817551.db2.gz WGGRREOWNDLXAZ-UHFFFAOYSA-N -1 3 593.074 4.932 1 0 KJAFHM Cc1cc(S(=O)(=O)[N-]C(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224420 562817540 /nfs/dbraw/zinc/81/75/40/562817540.db2.gz JWZXMNMNQPNTAV-UHFFFAOYSA-N -1 3 607.101 4.610 1 0 KJAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103224426 562817553 /nfs/dbraw/zinc/81/75/53/562817553.db2.gz BHMMAACOSZZPLY-UHFFFAOYSA-N -1 3 593.074 4.932 1 0 KJAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103224430 562817532 /nfs/dbraw/zinc/81/75/32/562817532.db2.gz MIOOFSONBIXJOJ-UHFFFAOYSA-N -1 3 593.074 4.932 1 0 KJAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103224433 562817514 /nfs/dbraw/zinc/81/75/14/562817514.db2.gz CSBVUXAGUJLEQD-UHFFFAOYSA-N -1 3 593.074 4.932 1 0 KJAFHM Cc1cc(S(=O)(=O)[N-]C(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103224438 562817530 /nfs/dbraw/zinc/81/75/30/562817530.db2.gz IRKHSVUCBDBFTJ-UHFFFAOYSA-N -1 3 607.101 4.610 1 0 KJAFHM Cc1cc(S(=O)(=O)[N-]C(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc32)cc1Cl ZINC000103224456 562817590 /nfs/dbraw/zinc/81/75/90/562817590.db2.gz YUCOUDJYURWQGQ-UHFFFAOYSA-N -1 3 589.164 4.744 1 0 KJAFHM Cc1cc2c(c(Oc3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3F)n1)C(=O)N(C(C)C)C2=O ZINC000103236866 562818932 /nfs/dbraw/zinc/81/89/32/562818932.db2.gz IWNGVKCDWVZWDC-UHFFFAOYSA-N -1 3 503.939 4.780 1 0 KJAFHM Cc1nc2cc(Cl)ccc2c(=O)n1C(=S)[N-]C(=O)Nc1nc2ccc(Br)cc2s1 ZINC000103246313 562819932 /nfs/dbraw/zinc/81/99/32/562819932.db2.gz LAKRYLPUHUWNSF-UHFFFAOYSA-N -1 3 508.810 4.685 1 0 KJAFHM Cc1nc2cc(Cl)ccc2c(=O)n1C(=S)N=C([O-])Nc1nc2ccc(Br)cc2s1 ZINC000103246313 562819931 /nfs/dbraw/zinc/81/99/31/562819931.db2.gz LAKRYLPUHUWNSF-UHFFFAOYSA-N -1 3 508.810 4.685 1 0 KJAFHM Cc1nc2cc(Cl)ccc2c(=O)n1C(=S)[N-]C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000103246318 562819920 /nfs/dbraw/zinc/81/99/20/562819920.db2.gz BGYNYHATUSJUQA-UHFFFAOYSA-N -1 3 513.910 4.821 1 0 KJAFHM Cc1nc2cc(Cl)ccc2c(=O)n1C(=S)N=C([O-])Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000103246318 562819919 /nfs/dbraw/zinc/81/99/19/562819919.db2.gz BGYNYHATUSJUQA-UHFFFAOYSA-N -1 3 513.910 4.821 1 0 KJAFHM Cc1nc2cc(Cl)ccc2c(=O)n1C(=S)[N-]C(=O)Nc1nc2c(cccc2Br)s1 ZINC000103246334 562819900 /nfs/dbraw/zinc/81/99/00/562819900.db2.gz MRHNUBDHRIMEHL-UHFFFAOYSA-N -1 3 508.810 4.685 1 0 KJAFHM Cc1nc2cc(Cl)ccc2c(=O)n1C(=S)N=C([O-])Nc1nc2c(cccc2Br)s1 ZINC000103246334 562819899 /nfs/dbraw/zinc/81/98/99/562819899.db2.gz MRHNUBDHRIMEHL-UHFFFAOYSA-N -1 3 508.810 4.685 1 0 KJAFHM O=S(=O)([N-]c1cccc(CNc2ncnc3c2cnn3CCc2ccccc2)c1)c1ccc(F)cc1 ZINC000103253394 562820509 /nfs/dbraw/zinc/82/05/09/562820509.db2.gz FRPNFGHTQYYASS-UHFFFAOYSA-N -1 3 502.575 4.621 1 0 KJAFHM CS(=O)(=O)[N-]c1ccc(-c2nsc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)n2)cc1 ZINC000103253806 562820653 /nfs/dbraw/zinc/82/06/53/562820653.db2.gz LPXWVCOHAWUFQZ-UHFFFAOYSA-N -1 3 620.801 4.965 1 0 KJAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3ncccc32)[C@H]1c1cccc(Cl)c1F ZINC000103254040 562820598 /nfs/dbraw/zinc/82/05/98/562820598.db2.gz QLORRPOWHCOBMY-CMWYWCLMSA-N -1 3 581.044 4.970 1 0 KJAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3ccncc32)[C@H]1c1cccc(Cl)c1F ZINC000103254056 562820630 /nfs/dbraw/zinc/82/06/30/562820630.db2.gz ITTQHYXUPNVUBV-AMKZZFPWSA-N -1 3 581.044 4.970 1 0 KJAFHM CN1CCN(CCCOc2c([O-])c3c(=O)cc(-c4ccccc4)oc3cc2OCc2ccccc2)CC1 ZINC000103271032 562822988 /nfs/dbraw/zinc/82/29/88/562822988.db2.gz SGPCOJTYFPSUEP-UHFFFAOYSA-N -1 3 500.595 4.761 1 0 KJAFHM CN1CCN(CCCOc2c(OCc3ccccc3)cc3oc(-c4ccccc4)cc([O-])c-3c2=O)CC1 ZINC000103271032 562822987 /nfs/dbraw/zinc/82/29/87/562822987.db2.gz SGPCOJTYFPSUEP-UHFFFAOYSA-N -1 3 500.595 4.761 1 0 KJAFHM C[C@](O)(C1CCN(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[n-]3)cc2)CC1)C(F)(F)F ZINC000103285398 562823779 /nfs/dbraw/zinc/82/37/79/562823779.db2.gz ADMPHCQUPDYFKW-VWLOTQADSA-N -1 3 511.504 4.906 1 0 KJAFHM CO/C=C(/C(=O)OC)c1ccccc1Cn1c(C)nn(-c2cc([N-]S(=O)(=O)c3ccccc3)c(Cl)cc2Cl)c1=O ZINC000103289600 562824030 /nfs/dbraw/zinc/82/40/30/562824030.db2.gz WWVNBOHABNEUIA-LTGZKZEYSA-N -1 3 603.484 4.659 1 0 KJAFHM COC(=O)N(OC)c1ccccc1Cn1c(C)nn(-c2cc([N-]S(=O)(=O)c3ccccc3)c(Cl)cc2Cl)c1=O ZINC000103290800 562824150 /nfs/dbraw/zinc/82/41/50/562824150.db2.gz RBPWMGRVGCHFQP-UHFFFAOYSA-N -1 3 592.461 4.633 1 0 KJAFHM CO[C@@H]1C[C@H](C)[C@H](OC)c2cc(O)cc(c2[O-])NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](OC(N)=O)/C(C)=C\[C@H](C)[C@@H]1OC ZINC000105395803 562825196 /nfs/dbraw/zinc/82/51/96/562825196.db2.gz SVSFCSOFEPJFSF-IECTZJJHSA-N -1 3 560.688 4.979 1 0 KJAFHM C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113487188 562826544 /nfs/dbraw/zinc/82/65/44/562826544.db2.gz WVJARZWJWNGZDX-HNNXBMFYSA-N -1 3 507.031 4.754 1 0 KJAFHM C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113487323 562826552 /nfs/dbraw/zinc/82/65/52/562826552.db2.gz WVJARZWJWNGZDX-OAHLLOKOSA-N -1 3 507.031 4.754 1 0 KJAFHM C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113487499 562826546 /nfs/dbraw/zinc/82/65/46/562826546.db2.gz ZIBSWPPDDLFJFV-OAHLLOKOSA-N -1 3 507.031 4.754 1 0 KJAFHM C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113487501 562826569 /nfs/dbraw/zinc/82/65/69/562826569.db2.gz 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/nfs/dbraw/zinc/82/68/25/562826825.db2.gz XBJCMGUGQRINQY-CQSZACIVSA-N -1 3 582.602 4.876 1 0 KJAFHM Cc1c2c(cc3[n-]c(-c4c(N[C@@H](C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc31)C(=O)N(C1CCN(C)CC1)C2 ZINC000113839753 562826860 /nfs/dbraw/zinc/82/68/60/562826860.db2.gz ZUSOUYHYDDCGIC-AWEZNQCLSA-N -1 3 582.602 4.876 1 0 KJAFHM Cc1c2c(cc3[n-]c(-c4c(N[C@H](C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc31)C(=O)N(C1CCN(C)CC1)C2 ZINC000113839755 562826819 /nfs/dbraw/zinc/82/68/19/562826819.db2.gz ZUSOUYHYDDCGIC-CQSZACIVSA-N -1 3 582.602 4.876 1 0 KJAFHM Cc1c2[n-]c(-c3c(N[C@@H](C)Cc4c(F)c(F)cc(F)c4F)cc[nH]c3=O)nc2cc2c1C(=O)N(C1CCN(C)CC1)C2=O ZINC000113840569 562826816 /nfs/dbraw/zinc/82/68/16/562826816.db2.gz XJJRMHCHDJFIHQ-ZDUSSCGKSA-N -1 3 596.585 4.516 1 0 KJAFHM Cc1c2nc(-c3c(N[C@@H](C)Cc4c(F)c(F)cc(F)c4F)cc[nH]c3=O)[n-]c2cc2c1C(=O)N(C1CCN(C)CC1)C2=O ZINC000113840569 562826815 /nfs/dbraw/zinc/82/68/15/562826815.db2.gz XJJRMHCHDJFIHQ-ZDUSSCGKSA-N -1 3 596.585 4.516 1 0 KJAFHM Cc1c2[n-]c(-c3c(N[C@H](C)Cc4c(F)c(F)cc(F)c4F)cc[nH]c3=O)nc2cc2c1C(=O)N(C1CCN(C)CC1)C2=O ZINC000113840570 562826878 /nfs/dbraw/zinc/82/68/78/562826878.db2.gz XJJRMHCHDJFIHQ-CYBMUJFWSA-N -1 3 596.585 4.516 1 0 KJAFHM Cc1c2nc(-c3c(N[C@H](C)Cc4c(F)c(F)cc(F)c4F)cc[nH]c3=O)[n-]c2cc2c1C(=O)N(C1CCN(C)CC1)C2=O ZINC000113840570 562826877 /nfs/dbraw/zinc/82/68/77/562826877.db2.gz XJJRMHCHDJFIHQ-CYBMUJFWSA-N -1 3 596.585 4.516 1 0 KJAFHM C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)CN(C1CCN(C)CC1)C3=O ZINC000113867577 562826885 /nfs/dbraw/zinc/82/68/85/562826885.db2.gz FOLXFWBVNHRGIV-AWEZNQCLSA-N -1 3 568.575 4.568 1 0 KJAFHM C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)C(=O)N(C1CCN(C)CC1)C3 ZINC000113867577 562826884 /nfs/dbraw/zinc/82/68/84/562826884.db2.gz FOLXFWBVNHRGIV-AWEZNQCLSA-N -1 3 568.575 4.568 1 0 KJAFHM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N1CCN(CCN2CCCC2)C(=O)C1)C1CC1 ZINC000114038539 562827337 /nfs/dbraw/zinc/82/73/37/562827337.db2.gz HUHMEPJCOTYIEL-UHFFFAOYSA-N -1 3 537.035 4.737 1 0 KJAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(-n2cc(C)cn2)cc1C ZINC000114359120 562828152 /nfs/dbraw/zinc/82/81/52/562828152.db2.gz KVQIWNINPGXKDV-UHFFFAOYSA-N -1 3 504.587 4.577 1 0 KJAFHM O=S(=O)([N-]CCCCN1CCN(c2noc3ccccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114599226 562828339 /nfs/dbraw/zinc/82/83/39/562828339.db2.gz HVNIAEADLPQYLQ-UHFFFAOYSA-N -1 3 505.065 4.577 1 0 KJAFHM O=S(=O)([N-]CCCN1CCN(c2nsc3ccccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114600444 562828388 /nfs/dbraw/zinc/82/83/88/562828388.db2.gz KXOTZGMYAFGHKG-UHFFFAOYSA-N -1 3 507.106 4.655 1 0 KJAFHM O=C([O-])COc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br ZINC000115368356 562828782 /nfs/dbraw/zinc/82/87/82/562828782.db2.gz YOWLYEXXEACGQQ-UHFFFAOYSA-N -1 3 500.389 4.516 1 0 KJAFHM O=C([O-])c1ccc2c(c1)nc(C(=O)NC1CCN(C3CC3)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1 ZINC000116021850 562829177 /nfs/dbraw/zinc/82/91/77/562829177.db2.gz PQDRCVHHJPMGKO-UHFFFAOYSA-N -1 3 526.018 4.509 1 0 KJAFHM Cc1nn(C)c(CC(C)C)c1[N-]S(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl ZINC000117318879 562829716 /nfs/dbraw/zinc/82/97/16/562829716.db2.gz FHFKEHHLTWJRPV-UHFFFAOYSA-N -1 3 537.517 4.506 1 0 KJAFHM COc1cc(CC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(Br)c1[O-] ZINC000118199288 562830213 /nfs/dbraw/zinc/83/02/13/562830213.db2.gz FMFZNNZSCQUXIT-UHFFFAOYSA-N -1 3 516.358 4.672 1 0 KJAFHM COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cc(C)ccc2[N-]S(C)(=O)=O)n1 ZINC000138538213 562832046 /nfs/dbraw/zinc/83/20/46/562832046.db2.gz PRJLSVKAGUDIRA-UHFFFAOYSA-N -1 3 608.643 4.544 1 0 KJAFHM CC[C@](C)(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000138722987 562832149 /nfs/dbraw/zinc/83/21/49/562832149.db2.gz RKVNUVWWFBRHSI-DEOSSOPVSA-N -1 3 544.615 4.831 1 0 KJAFHM CC[C@@](C)(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000138723128 562832125 /nfs/dbraw/zinc/83/21/25/562832125.db2.gz RKVNUVWWFBRHSI-XMMPIXPASA-N -1 3 544.615 4.831 1 0 KJAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C2(c3ccc([N-]S(C)(=O)=O)c(F)c3)CCCC2)CC1 ZINC000138734353 562832173 /nfs/dbraw/zinc/83/21/73/562832173.db2.gz MKZAZUNLOWNYHT-UHFFFAOYSA-N -1 3 556.626 4.976 1 0 KJAFHM CCN(C(=O)c1ccc(CNc2nc(NCC(=O)[O-])nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000140786512 562833400 /nfs/dbraw/zinc/83/34/00/562833400.db2.gz WWMXRTXQOXWIEF-UHFFFAOYSA-N -1 3 611.703 4.535 1 0 KJAFHM O=c1[n-]c(=O)c(Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)c[nH]1 ZINC000143569856 562835180 /nfs/dbraw/zinc/83/51/80/562835180.db2.gz ZYNFSFTWMQRRCR-UHFFFAOYSA-N -1 3 558.810 4.558 1 0 KJAFHM CC(C)(C)c1nn(-c2ccc(F)cc2)cc1CN1CCC2(CN(c3ccc(C(=O)[O-])cc3)C(=O)O2)CC1 ZINC000144616468 562836524 /nfs/dbraw/zinc/83/65/24/562836524.db2.gz QETCGPYOIXWAMA-UHFFFAOYSA-N -1 3 506.578 4.999 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145284130 562836932 /nfs/dbraw/zinc/83/69/32/562836932.db2.gz ZLNBJGDCLCURSA-OAHLLOKOSA-N -1 3 533.016 4.681 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145284314 562836935 /nfs/dbraw/zinc/83/69/35/562836935.db2.gz ZLNBJGDCLCURSA-HNNXBMFYSA-N -1 3 533.016 4.681 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145296198 562837002 /nfs/dbraw/zinc/83/70/02/562837002.db2.gz DRAFXHUPVAQHOY-OAHLLOKOSA-N -1 3 501.546 4.626 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145570361 562837374 /nfs/dbraw/zinc/83/73/74/562837374.db2.gz DPHZJCROSSBHSX-CYBMUJFWSA-N -1 3 519.973 4.622 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145570551 562837383 /nfs/dbraw/zinc/83/73/83/562837383.db2.gz DPHZJCROSSBHSX-ZDUSSCGKSA-N -1 3 519.973 4.622 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1C[C@H](C)C[C@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145666429 562837462 /nfs/dbraw/zinc/83/74/62/562837462.db2.gz KVUJVLPXRBZVJO-OWCLPIDISA-N -1 3 530.588 4.513 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1C[C@H](C)C[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145666649 562837466 /nfs/dbraw/zinc/83/74/66/562837466.db2.gz KVUJVLPXRBZVJO-BZUAXINKSA-N -1 3 530.588 4.513 1 0 KJAFHM CCCN(CCC)c1nc(C(F)(F)Cl)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145703670 562837502 /nfs/dbraw/zinc/83/75/02/562837502.db2.gz ZKOJGYHBOXWWJN-HNNXBMFYSA-N -1 3 535.032 4.927 1 0 KJAFHM CCCN(CCC)c1nc(C(F)(F)Cl)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145703852 562837524 /nfs/dbraw/zinc/83/75/24/562837524.db2.gz ZKOJGYHBOXWWJN-OAHLLOKOSA-N -1 3 535.032 4.927 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccccc1F)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145885099 562837694 /nfs/dbraw/zinc/83/76/94/562837694.db2.gz CSQYZIGSGXLNFY-CYBMUJFWSA-N -1 3 513.488 4.837 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccccc1F)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145885320 562837719 /nfs/dbraw/zinc/83/77/19/562837719.db2.gz CSQYZIGSGXLNFY-ZDUSSCGKSA-N -1 3 513.488 4.837 1 0 KJAFHM COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000145919083 562837755 /nfs/dbraw/zinc/83/77/55/562837755.db2.gz MMLUIEWPMOMHME-AWEZNQCLSA-N -1 3 525.524 4.707 1 0 KJAFHM COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000145919266 562837793 /nfs/dbraw/zinc/83/77/93/562837793.db2.gz MMLUIEWPMOMHME-CQSZACIVSA-N -1 3 525.524 4.707 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1OC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145954803 562837778 /nfs/dbraw/zinc/83/77/78/562837778.db2.gz RMIMDDNLJHJWMV-CQSZACIVSA-N -1 3 502.530 4.957 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1OC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145954991 562837784 /nfs/dbraw/zinc/83/77/84/562837784.db2.gz RMIMDDNLJHJWMV-AWEZNQCLSA-N -1 3 502.530 4.957 1 0 KJAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(C(=O)c1ccsn1)CC2 ZINC000146022643 562837977 /nfs/dbraw/zinc/83/79/77/562837977.db2.gz PUKXVGNSCKHPOT-UHFFFAOYSA-N -1 3 502.575 4.725 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146124639 562838295 /nfs/dbraw/zinc/83/82/95/562838295.db2.gz IATUAOIRJUINQS-OAHLLOKOSA-N -1 3 541.979 4.879 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146124834 562838281 /nfs/dbraw/zinc/83/82/81/562838281.db2.gz IATUAOIRJUINQS-HNNXBMFYSA-N -1 3 541.979 4.879 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCN(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146133702 562838248 /nfs/dbraw/zinc/83/82/48/562838248.db2.gz HBQMBNWONPXMOF-GOSISDBHSA-N -1 3 596.075 4.627 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCN(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146133882 562838270 /nfs/dbraw/zinc/83/82/70/562838270.db2.gz HBQMBNWONPXMOF-SFHVURJKSA-N -1 3 596.075 4.627 1 0 KJAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000146152105 562838330 /nfs/dbraw/zinc/83/83/30/562838330.db2.gz MUYQAYNWVDOGRG-UHFFFAOYSA-N -1 3 535.576 4.913 1 0 KJAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000146152105 562838329 /nfs/dbraw/zinc/83/83/29/562838329.db2.gz MUYQAYNWVDOGRG-UHFFFAOYSA-N -1 3 535.576 4.913 1 0 KJAFHM COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1F ZINC000146286438 562838445 /nfs/dbraw/zinc/83/84/45/562838445.db2.gz XCCVLMJETQIWTD-ZDUSSCGKSA-N -1 3 543.514 4.846 1 0 KJAFHM COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1F ZINC000146286628 562838426 /nfs/dbraw/zinc/83/84/26/562838426.db2.gz XCCVLMJETQIWTD-CYBMUJFWSA-N -1 3 543.514 4.846 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1C[C@H](C)C[C@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146287241 562838417 /nfs/dbraw/zinc/83/84/17/562838417.db2.gz NSZSMGKDRBJQGV-OWCLPIDISA-N -1 3 547.043 4.783 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1C[C@H](C)C[C@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146287437 562838460 /nfs/dbraw/zinc/83/84/60/562838460.db2.gz NSZSMGKDRBJQGV-XHSDSOJGSA-N -1 3 547.043 4.783 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1C[C@H](C)C[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146287626 562838442 /nfs/dbraw/zinc/83/84/42/562838442.db2.gz NSZSMGKDRBJQGV-BZUAXINKSA-N -1 3 547.043 4.783 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1C[C@H](C)C[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146287812 562838434 /nfs/dbraw/zinc/83/84/34/562838434.db2.gz NSZSMGKDRBJQGV-OAGGEKHMSA-N -1 3 547.043 4.783 1 0 KJAFHM CC[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146289938 562838456 /nfs/dbraw/zinc/83/84/56/562838456.db2.gz LXVYGNQYTGZEHW-GOSISDBHSA-N -1 3 530.588 4.657 1 0 KJAFHM CC[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146290116 562838432 /nfs/dbraw/zinc/83/84/32/562838432.db2.gz LXVYGNQYTGZEHW-SFHVURJKSA-N -1 3 530.588 4.657 1 0 KJAFHM Cc1cc(C(F)(F)F)nc(OC2CCCC2)c1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146315445 562838451 /nfs/dbraw/zinc/83/84/51/562838451.db2.gz DGZRVBPZZBKYCP-CQSZACIVSA-N -1 3 517.545 4.661 1 0 KJAFHM Cc1cc(C(F)(F)F)nc(OC2CCCC2)c1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146315643 562838413 /nfs/dbraw/zinc/83/84/13/562838413.db2.gz DGZRVBPZZBKYCP-AWEZNQCLSA-N -1 3 517.545 4.661 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(N(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146384889 562838518 /nfs/dbraw/zinc/83/85/18/562838518.db2.gz YOVNQZZUYSUOCG-OAHLLOKOSA-N -1 3 538.567 4.764 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(N(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146385095 562838547 /nfs/dbraw/zinc/83/85/47/562838547.db2.gz YOVNQZZUYSUOCG-HNNXBMFYSA-N -1 3 538.567 4.764 1 0 KJAFHM Cc1cc(C(F)(F)F)nc(N2CCC(C)CC2)c1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146564257 562838705 /nfs/dbraw/zinc/83/87/05/562838705.db2.gz VCLLNCAOTWTCDF-MRXNPFEDSA-N -1 3 530.588 4.576 1 0 KJAFHM Cc1cc(C(F)(F)F)nc(N2CCC(C)CC2)c1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146564456 562838722 /nfs/dbraw/zinc/83/87/22/562838722.db2.gz VCLLNCAOTWTCDF-INIZCTEOSA-N -1 3 530.588 4.576 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146580998 562838744 /nfs/dbraw/zinc/83/87/44/562838744.db2.gz WUWWDKOTAMMDBG-OAHLLOKOSA-N -1 3 541.542 4.955 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146581206 562838715 /nfs/dbraw/zinc/83/87/15/562838715.db2.gz WUWWDKOTAMMDBG-HNNXBMFYSA-N -1 3 541.542 4.955 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)C[C@@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146976309 562838981 /nfs/dbraw/zinc/83/89/81/562838981.db2.gz GNJFRVOGJVVKPG-DLBZAZTESA-N -1 3 629.080 4.794 1 0 KJAFHM COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1OC ZINC000146991456 562838997 /nfs/dbraw/zinc/83/89/97/562838997.db2.gz CDECHYVRWZULGT-AWEZNQCLSA-N -1 3 555.550 4.715 1 0 KJAFHM COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1OC ZINC000146991614 562839011 /nfs/dbraw/zinc/83/90/11/562839011.db2.gz CDECHYVRWZULGT-CQSZACIVSA-N -1 3 555.550 4.715 1 0 KJAFHM CN1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2nc[n-]s2)C3)CC1 ZINC000147112795 562839098 /nfs/dbraw/zinc/83/90/98/562839098.db2.gz MAPAFEPDZXCYDA-UHFFFAOYSA-N -1 3 535.617 4.658 1 0 KJAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000147682356 562839499 /nfs/dbraw/zinc/83/94/99/562839499.db2.gz KDZSFXWPPAMNQE-OAHLLOKOSA-N -1 3 533.016 4.537 1 0 KJAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000147682525 562839494 /nfs/dbraw/zinc/83/94/94/562839494.db2.gz KDZSFXWPPAMNQE-HNNXBMFYSA-N -1 3 533.016 4.537 1 0 KJAFHM CC(=O)Nc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5c(F)cccc5F)C4)cc32)ccc1[O-] ZINC000147794364 562839666 /nfs/dbraw/zinc/83/96/66/562839666.db2.gz RPEVBARUGCTMIH-LJQANCHMSA-N -1 3 519.552 4.567 1 0 KJAFHM COC[C@H](Cc1ccccc1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[n-]2)cc1 ZINC000148082103 562840156 /nfs/dbraw/zinc/84/01/56/562840156.db2.gz VYNJKWJVBAWBKY-QFIPXVFZSA-N -1 3 506.562 4.969 1 0 KJAFHM COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C(=O)[O-])cc2)n1 ZINC000148439825 562841307 /nfs/dbraw/zinc/84/13/07/562841307.db2.gz BSRHHOAYCKUOGD-UHFFFAOYSA-N -1 3 545.518 4.562 1 0 KJAFHM CC[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(C)ccc1Cl ZINC000149329340 562842586 /nfs/dbraw/zinc/84/25/86/562842586.db2.gz YPXGDIVXVGWUHO-UHFFFAOYSA-N -1 3 571.078 4.892 1 0 KJAFHM CC[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccc(Cl)cc1C ZINC000149341711 562842643 /nfs/dbraw/zinc/84/26/43/562842643.db2.gz LEZHHVZOBTXOEK-UHFFFAOYSA-N -1 3 571.078 4.892 1 0 KJAFHM Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccc(F)cc3)CC2)cnc2c(S(=O)(=O)[N-]C3CC3)cnn21 ZINC000149345143 562842655 /nfs/dbraw/zinc/84/26/55/562842655.db2.gz ZDONKUKVPYWWFM-UHFFFAOYSA-N -1 3 566.634 4.520 1 0 KJAFHM COc1ccc(CC2CCS(=O)(=O)CC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000149670644 562842740 /nfs/dbraw/zinc/84/27/40/562842740.db2.gz WUVMYOMYUAIZRF-UHFFFAOYSA-N -1 3 609.774 4.612 1 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000150534417 562843891 /nfs/dbraw/zinc/84/38/91/562843891.db2.gz OTOHUSBCCBGSPA-QZCKSCMDSA-N -1 3 735.897 4.751 1 0 KJAFHM COc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000150535293 562843923 /nfs/dbraw/zinc/84/39/23/562843923.db2.gz HDHYOMUMYQWAQB-NAJARDBOSA-N -1 3 735.897 4.751 1 0 KJAFHM CCCCCOC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000150596213 562846681 /nfs/dbraw/zinc/84/66/81/562846681.db2.gz AILCBSYTHGBXRH-LVKHTMKJSA-N -1 3 669.643 4.615 1 0 KJAFHM COc1ccc(Nc2nc(-c3cccc(C(=O)Nc4ccc(-c5nn[n-]n5)cc4)c3)cn3ccnc23)cc1OC ZINC000165004317 562849826 /nfs/dbraw/zinc/84/98/26/562849826.db2.gz JRPAYQUQVOUXMA-UHFFFAOYSA-N -1 3 533.552 4.590 1 0 KJAFHM COc1ccc(Nc2nc(-c3cccc(C(=O)Nc4ccc(-c5nnn[n-]5)cc4)c3)cn3ccnc23)cc1OC ZINC000165004317 562849825 /nfs/dbraw/zinc/84/98/25/562849825.db2.gz JRPAYQUQVOUXMA-UHFFFAOYSA-N -1 3 533.552 4.590 1 0 KJAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCCN(C)CC4)nc32)c1 ZINC000165265941 562850033 /nfs/dbraw/zinc/85/00/33/562850033.db2.gz CBDMTQKVXYKZOT-UHFFFAOYSA-N -1 3 647.806 4.544 1 0 KJAFHM CCOCCN1C[C@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc4n1C2)C3 ZINC000165423680 562850254 /nfs/dbraw/zinc/85/02/54/562850254.db2.gz JNBHSPWUMIZNOO-MRIFCXHNSA-N -1 3 759.970 4.585 1 0 KJAFHM CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000169303321 562853198 /nfs/dbraw/zinc/85/31/98/562853198.db2.gz TZDORXWTPVDOCX-TWVZQSRDSA-N -1 3 533.980 4.602 1 0 KJAFHM COc1ccnc(NCCCOc2ccc(C[C@@H](CC(=O)[O-])NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 ZINC000169308560 562854146 /nfs/dbraw/zinc/85/41/46/562854146.db2.gz PSZYZEZKPQGGPA-QHCPKHFHSA-N -1 3 521.614 4.574 1 0 KJAFHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1-c1cc2cc(C(F)(F)F)ccc2n1S(C)(=O)=O ZINC000169323464 562857057 /nfs/dbraw/zinc/85/70/57/562857057.db2.gz ADVXRMAWKFCCMA-UHFFFAOYSA-N -1 3 500.442 4.525 1 0 KJAFHM O=C(NCc1ccccc1)c1cccc2[nH]c(=O)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c21 ZINC000169324791 562857463 /nfs/dbraw/zinc/85/74/63/562857463.db2.gz JNGIGXUOJGNZTA-UHFFFAOYSA-N -1 3 501.550 4.567 1 0 KJAFHM O=C(NCc1ccccc1)c1cccc2[nH]c(=O)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c21 ZINC000169324791 562857462 /nfs/dbraw/zinc/85/74/62/562857462.db2.gz JNGIGXUOJGNZTA-UHFFFAOYSA-N -1 3 501.550 4.567 1 0 KJAFHM COc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324793 562857469 /nfs/dbraw/zinc/85/74/69/562857469.db2.gz OTNLDTIIAFAEAX-UHFFFAOYSA-N -1 3 515.577 4.870 1 0 KJAFHM COc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324793 562857468 /nfs/dbraw/zinc/85/74/68/562857468.db2.gz OTNLDTIIAFAEAX-UHFFFAOYSA-N -1 3 515.577 4.870 1 0 KJAFHM COc1cc([N-]c2nnc(-c3cccnc3Nc3cc(OC)c(OC)c(OC)c3)o2)cc(OC)c1OC ZINC000169325176 562857551 /nfs/dbraw/zinc/85/75/51/562857551.db2.gz FCSAHLWLUXIBAR-UHFFFAOYSA-N -1 3 509.519 4.670 1 0 KJAFHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1coc2ccc(Br)cc2c1=O ZINC000169327156 562858023 /nfs/dbraw/zinc/85/80/23/562858023.db2.gz XGGAHKTYOICZKD-AKFKNWHVSA-N -1 3 517.335 4.607 1 0 KJAFHM O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3n[n-]nc3C(F)(F)F)CS[C@H]12 ZINC000169342112 562860956 /nfs/dbraw/zinc/86/09/56/562860956.db2.gz NGLGRZXFOMEDLJ-AJTFRIOCSA-N -1 3 625.654 4.572 1 0 KJAFHM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348466 562862260 /nfs/dbraw/zinc/86/22/60/562862260.db2.gz QOSZBBSALNAQGH-PMERELPUSA-N -1 3 628.770 4.734 1 0 KJAFHM CCOc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(CC[N-]C(=O)C(F)(F)F)CC6)ccc5[nH]4)cc3[nH]2)cc1 ZINC000169352844 562863286 /nfs/dbraw/zinc/86/32/86/562863286.db2.gz FKUBXBKMAQGRBJ-UHFFFAOYSA-N -1 3 577.611 4.972 1 0 KJAFHM CCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(CC[N-]C(=O)C(F)(F)F)CC6)ccc5[nH]4)ccc3[nH]2)cc1 ZINC000169352844 562863285 /nfs/dbraw/zinc/86/32/85/562863285.db2.gz FKUBXBKMAQGRBJ-UHFFFAOYSA-N -1 3 577.611 4.972 1 0 KJAFHM CCCS(=O)(=O)[N-]c1cc(Cl)cc(-c2nc(C3CC3)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694655 562865582 /nfs/dbraw/zinc/86/55/82/562865582.db2.gz IWPXOINNGKEFRV-ZDUSSCGKSA-N -1 3 566.059 4.512 1 0 KJAFHM CCCS(=O)(=O)[N-]c1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694655 562865581 /nfs/dbraw/zinc/86/55/81/562865581.db2.gz IWPXOINNGKEFRV-ZDUSSCGKSA-N -1 3 566.059 4.512 1 0 KJAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(=O)(=O)CC3CC3)c2F)n1 ZINC000169694661 562865542 /nfs/dbraw/zinc/86/55/42/562865542.db2.gz HBTNXSOJJINMPX-ZDUSSCGKSA-N -1 3 578.070 4.512 1 0 KJAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc([N-]S(=O)(=O)CC3CC3)c2F)n1 ZINC000169694661 562865541 /nfs/dbraw/zinc/86/55/41/562865541.db2.gz HBTNXSOJJINMPX-ZDUSSCGKSA-N -1 3 578.070 4.512 1 0 KJAFHM CCS(=O)(=O)[N-]c1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694668 562865545 /nfs/dbraw/zinc/86/55/45/562865545.db2.gz JDPRCFICOAYFFG-ZDUSSCGKSA-N -1 3 568.075 4.542 1 0 KJAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cccc([N-]S(=O)(=O)CCC(F)(F)F)c2F)n1 ZINC000169694698 562865637 /nfs/dbraw/zinc/86/56/37/562865637.db2.gz CFFDFVPWHCZKAM-AWEZNQCLSA-N -1 3 601.627 4.821 1 0 KJAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cccc([N-]S(=O)(=O)CCC(F)(F)F)c2F)n1 ZINC000169694698 562865636 /nfs/dbraw/zinc/86/56/36/562865636.db2.gz CFFDFVPWHCZKAM-AWEZNQCLSA-N -1 3 601.627 4.821 1 0 KJAFHM CCCS(=O)(=O)[N-]c1cc(Cl)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694699 562865614 /nfs/dbraw/zinc/86/56/14/562865614.db2.gz AAJPLZPFHRBEMQ-AWEZNQCLSA-N -1 3 582.102 4.932 1 0 KJAFHM CCCS(=O)(=O)[N-]c1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694699 562865613 /nfs/dbraw/zinc/86/56/13/562865613.db2.gz AAJPLZPFHRBEMQ-AWEZNQCLSA-N -1 3 582.102 4.932 1 0 KJAFHM COC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695063 562865660 /nfs/dbraw/zinc/86/56/60/562865660.db2.gz ZFRZTMGSTVTHGF-DNQXCXABSA-N -1 3 505.592 4.855 1 0 KJAFHM COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695064 562865650 /nfs/dbraw/zinc/86/56/50/562865650.db2.gz ZFRZTMGSTVTHGF-RPWUZVMVSA-N -1 3 505.592 4.855 1 0 KJAFHM COC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695065 562865680 /nfs/dbraw/zinc/86/56/80/562865680.db2.gz ZFRZTMGSTVTHGF-BJKOFHAPSA-N -1 3 505.592 4.855 1 0 KJAFHM COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695066 562865682 /nfs/dbraw/zinc/86/56/82/562865682.db2.gz ZFRZTMGSTVTHGF-ZEQRLZLVSA-N -1 3 505.592 4.855 1 0 KJAFHM COC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695067 562865705 /nfs/dbraw/zinc/86/57/05/562865705.db2.gz JNOPUACFKNUWKK-DNQXCXABSA-N -1 3 505.592 4.855 1 0 KJAFHM COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695068 562865645 /nfs/dbraw/zinc/86/56/45/562865645.db2.gz JNOPUACFKNUWKK-RPWUZVMVSA-N -1 3 505.592 4.855 1 0 KJAFHM COC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695069 562865710 /nfs/dbraw/zinc/86/57/10/562865710.db2.gz JNOPUACFKNUWKK-BJKOFHAPSA-N -1 3 505.592 4.855 1 0 KJAFHM COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695070 562865652 /nfs/dbraw/zinc/86/56/52/562865652.db2.gz JNOPUACFKNUWKK-ZEQRLZLVSA-N -1 3 505.592 4.855 1 0 KJAFHM 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RLKCWZUKKXMWLC-UHFFFAOYSA-N -1 3 554.647 4.730 1 0 KJAFHM CCCc1nc2c(cc(C(=O)NCCN3CCCC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[n-]n2)cc1 ZINC000653694202 562906966 /nfs/dbraw/zinc/90/69/66/562906966.db2.gz LOILLKMLEXWOPH-UHFFFAOYSA-N -1 3 591.720 4.604 1 0 KJAFHM CCCc1nc2c(cc(C(=O)NCCN3CCCC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[n-]2)cc1 ZINC000653694202 562906965 /nfs/dbraw/zinc/90/69/65/562906965.db2.gz LOILLKMLEXWOPH-UHFFFAOYSA-N -1 3 591.720 4.604 1 0 KJAFHM CCCc1nc2c(cc(C(=O)NCCN3CCCCC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[n-]n2)cc1 ZINC000653694216 562906928 /nfs/dbraw/zinc/90/69/28/562906928.db2.gz OILLZFKKZFXHHY-UHFFFAOYSA-N -1 3 605.747 4.994 1 0 KJAFHM CCCc1nc2c(cc(C(=O)NCCN3CCCCC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[n-]2)cc1 ZINC000653694216 562906927 /nfs/dbraw/zinc/90/69/27/562906927.db2.gz OILLZFKKZFXHHY-UHFFFAOYSA-N -1 3 605.747 4.994 1 0 KJAFHM CCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O ZINC000653703960 562907587 /nfs/dbraw/zinc/90/75/87/562907587.db2.gz RLDBHZCCVSDNCV-GDZAYFCTSA-N -1 3 566.603 4.616 1 0 KJAFHM CCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O ZINC000653703961 562907581 /nfs/dbraw/zinc/90/75/81/562907581.db2.gz RLDBHZCCVSDNCV-GFOCBTRVSA-N -1 3 566.603 4.616 1 0 KJAFHM CCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O ZINC000653703962 562907593 /nfs/dbraw/zinc/90/75/93/562907593.db2.gz RLDBHZCCVSDNCV-HMAILUFVSA-N -1 3 566.603 4.616 1 0 KJAFHM CCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O ZINC000653703963 562907591 /nfs/dbraw/zinc/90/75/91/562907591.db2.gz RLDBHZCCVSDNCV-WZFJQBBKSA-N -1 3 566.603 4.616 1 0 KJAFHM O=C1C(c2ccc([O-])cc2)=C(c2ccc(F)cc2)C(=O)N1CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000653716259 562908512 /nfs/dbraw/zinc/90/85/12/562908512.db2.gz HPOBJFPJDNDNPJ-UHFFFAOYSA-N -1 3 562.541 4.588 1 0 KJAFHM CCCS(=O)(=O)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653716327 562908534 /nfs/dbraw/zinc/90/85/34/562908534.db2.gz GQVRHQYRFCEEOS-GOSISDBHSA-N -1 3 630.686 4.777 1 0 KJAFHM CCCS(=O)(=O)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653716328 562908526 /nfs/dbraw/zinc/90/85/26/562908526.db2.gz GQVRHQYRFCEEOS-SFHVURJKSA-N -1 3 630.686 4.777 1 0 KJAFHM CC(C)S(=O)(=O)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653716330 562908556 /nfs/dbraw/zinc/90/85/56/562908556.db2.gz IIOKDCDGMMAQCW-GOSISDBHSA-N -1 3 630.686 4.776 1 0 KJAFHM CC(C)S(=O)(=O)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653716331 562908537 /nfs/dbraw/zinc/90/85/37/562908537.db2.gz IIOKDCDGMMAQCW-SFHVURJKSA-N -1 3 630.686 4.776 1 0 KJAFHM CC(=O)OCOC(=O)c1cc(S(=O)(=O)N(CC(C)C)c2ccc(OC(C)C)cc2)c2ccccc2c1[O-] ZINC000653717563 562908599 /nfs/dbraw/zinc/90/85/99/562908599.db2.gz UTSKFJOFSOHIDX-UHFFFAOYSA-N -1 3 529.611 4.861 1 0 KJAFHM CC(C)=CCC/C(C(=O)Nc1nn[n-]n1)=C1\[C@@H]2C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@]3(C)[C@@]2(C)C[C@@H]1OC(C)=O ZINC000653730613 562909471 /nfs/dbraw/zinc/90/94/71/562909471.db2.gz ZNXCLDNXAGOQBP-NZEIRVQTSA-N -1 3 583.774 4.733 1 0 KJAFHM CC(C)=CCCC(C(=O)Nc1nn[n-]n1)=C1[C@@H]2C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@]3(C)[C@@]2(C)C[C@@H]1OC(C)=O ZINC000653730613 562909470 /nfs/dbraw/zinc/90/94/70/562909470.db2.gz ZNXCLDNXAGOQBP-NZEIRVQTSA-N -1 3 583.774 4.733 1 0 KJAFHM CC(C)=CCCC(C(=O)Nc1nnn[n-]1)=C1[C@@H]2C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@]3(C)[C@@]2(C)C[C@@H]1OC(C)=O ZINC000653730613 562909469 /nfs/dbraw/zinc/90/94/69/562909469.db2.gz ZNXCLDNXAGOQBP-NZEIRVQTSA-N -1 3 583.774 4.733 1 0 KJAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCCCCN2CCOCC2)c2ccccc12 ZINC000653736020 562909690 /nfs/dbraw/zinc/90/96/90/562909690.db2.gz LAAJOJSDMSEZAZ-UHFFFAOYSA-N -1 3 611.761 4.830 1 0 KJAFHM CCCCN[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653739237 562910074 /nfs/dbraw/zinc/91/00/74/562910074.db2.gz HWRRSUYEEWPTLN-AVMNODDDSA-N -1 3 591.957 4.943 1 0 KJAFHM CCCCN[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653739238 562910053 /nfs/dbraw/zinc/91/00/53/562910053.db2.gz HWRRSUYEEWPTLN-ZOYHHHKASA-N -1 3 591.957 4.943 1 0 KJAFHM CC(C)(C)OC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO[P@](=O)(NCC(F)(F)F)Oc1ccc(Cl)cc1 ZINC000653740730 562910173 /nfs/dbraw/zinc/91/01/73/562910173.db2.gz SQUHDHOUNYNXFD-APGZCWTLSA-N -1 3 617.873 4.705 1 0 KJAFHM CC(C)(C)OC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO[P@@](=O)(NCC(F)(F)F)Oc1ccc(Cl)cc1 ZINC000653740731 562910187 /nfs/dbraw/zinc/91/01/87/562910187.db2.gz SQUHDHOUNYNXFD-PCGYFXGYSA-N -1 3 617.873 4.705 1 0 KJAFHM CCCN[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653740737 562910166 /nfs/dbraw/zinc/91/01/66/562910166.db2.gz TVMRIBQNNGKRLP-JBDIULAASA-N -1 3 577.930 4.553 1 0 KJAFHM CCCN[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653740739 562910182 /nfs/dbraw/zinc/91/01/82/562910182.db2.gz TVMRIBQNNGKRLP-KTEGIUKHSA-N -1 3 577.930 4.553 1 0 KJAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CC(O)C3)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653757392 562911060 /nfs/dbraw/zinc/91/10/60/562911060.db2.gz OBPKOMGRZGMZGW-UHFFFAOYSA-N -1 3 531.012 4.540 1 0 KJAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)CN(C)C)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653768972 562911753 /nfs/dbraw/zinc/91/17/53/562911753.db2.gz OVKWQCCELWLPBJ-UHFFFAOYSA-N -1 3 560.054 4.541 1 0 KJAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CCN(C)CC3)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653775390 562911870 /nfs/dbraw/zinc/91/18/70/562911870.db2.gz BKLDSUFVHGYTJL-UHFFFAOYSA-N -1 3 601.107 4.821 1 0 KJAFHM CN(C)C(=O)c1ccc(N2CCC(C3CCN(C(=O)[C@]([O-])(c4ccccc4)C(F)(F)F)CC3)CC2)cc1Cl ZINC000653830109 562914518 /nfs/dbraw/zinc/91/45/18/562914518.db2.gz JFGUQJWIGPIGJG-HHHXNRCGSA-N -1 3 552.037 4.947 1 0 KJAFHM CCOC(=O)CC(=O)Nc1cc(Cl)c(Oc2ccc([O-])c(I)c2)c(Cl)c1 ZINC000653895782 562917358 /nfs/dbraw/zinc/91/73/58/562917358.db2.gz QQWVMQGCJABBNJ-UHFFFAOYSA-N -1 3 510.111 4.988 1 0 KJAFHM CCCC[C@H](CN([O-])C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1 ZINC000653915979 562917874 /nfs/dbraw/zinc/91/78/74/562917874.db2.gz NVLFFNXAPBKSPE-KCWPFWIISA-N -1 3 571.682 4.564 1 0 KJAFHM COc1ccc(CNC(=O)C2(C[C@@H]3CC(c4ccccc4)=NO3)CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000012477518 561710869 /nfs/dbraw/zinc/71/08/69/561710869.db2.gz KNHPVMWHQAXZOP-MHZLTWQESA-N -1 3 527.621 4.523 3 0 KJAFHM COc1ccc(CNC(=O)C2(C[C@H]3CC(c4ccccc4)=NO3)CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000012477527 561710902 /nfs/dbraw/zinc/71/09/02/561710902.db2.gz KNHPVMWHQAXZOP-HHHXNRCGSA-N -1 3 527.621 4.523 3 0 KJAFHM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[n-]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C ZINC000017544986 561755789 /nfs/dbraw/zinc/75/57/89/561755789.db2.gz BTFNNDYCQMKLSJ-QFIPXVFZSA-N -1 3 644.770 4.822 3 0 KJAFHM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nc[n-]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C ZINC000017544986 561755787 /nfs/dbraw/zinc/75/57/87/561755787.db2.gz BTFNNDYCQMKLSJ-QFIPXVFZSA-N -1 3 644.770 4.822 3 0 KJAFHM CC(C)C[C@H](NC(=O)c1[n-]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1 ZINC000017544989 561755793 /nfs/dbraw/zinc/75/57/93/561755793.db2.gz SRTUWFAWYHVDFJ-QHCPKHFHSA-N -1 3 563.655 4.575 3 0 KJAFHM CC(C)C[C@H](NC(=O)c1nc[n-]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1 ZINC000017544989 561755791 /nfs/dbraw/zinc/75/57/91/561755791.db2.gz SRTUWFAWYHVDFJ-QHCPKHFHSA-N -1 3 563.655 4.575 3 0 KJAFHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nc[n-]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1 ZINC000017544992 561755754 /nfs/dbraw/zinc/75/57/54/561755754.db2.gz OTGZPWXHOAXUFA-SANMLTNESA-N -1 3 597.672 4.771 3 0 KJAFHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2[n-]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1 ZINC000017544992 561755753 /nfs/dbraw/zinc/75/57/53/561755753.db2.gz OTGZPWXHOAXUFA-SANMLTNESA-N -1 3 597.672 4.771 3 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000066129622 562713008 /nfs/dbraw/zinc/71/30/08/562713008.db2.gz GHNPBIHGNBSEKQ-WYEJZRMESA-N -1 3 611.708 4.920 3 0 KJAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000066167289 562714342 /nfs/dbraw/zinc/71/43/42/562714342.db2.gz NIWXPMLPVBHWAZ-OWOAZTCBSA-N -1 3 578.641 4.520 3 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000072102672 562720293 /nfs/dbraw/zinc/72/02/93/562720293.db2.gz DLGBAWFFZNRTRT-TWUWCHPWSA-N -1 3 664.703 4.899 3 0 KJAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000072105242 562720758 /nfs/dbraw/zinc/72/07/58/562720758.db2.gz CTCUQDBEAMVDEF-DSTDORTESA-N -1 3 705.871 4.743 3 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000072136474 562727930 /nfs/dbraw/zinc/72/79/30/562727930.db2.gz OTOHUSBCCBGSPA-IUVSGJEMSA-N -1 3 735.897 4.751 3 0 KJAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000072136889 562728189 /nfs/dbraw/zinc/72/81/89/562728189.db2.gz AHUZFXYFUYFNSB-IMWIBFENSA-N -1 3 611.708 4.920 3 0 KJAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095566827 562765312 /nfs/dbraw/zinc/76/53/12/562765312.db2.gz ZZQHFWRILVFBSH-CLFOAKAGSA-N -1 3 638.831 4.810 3 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@H](C)O3)cc1 ZINC000095568675 562766814 /nfs/dbraw/zinc/76/68/14/562766814.db2.gz MAVYHSKQCPJJQP-SLCANDRHSA-N -1 3 701.908 4.912 3 0 KJAFHM COc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc2ccccc2F)[C@@H](C)CO3)c1 ZINC000095568810 562766964 /nfs/dbraw/zinc/76/69/64/562766964.db2.gz DGPDLCOELUXEAS-DGIFUFQNSA-N -1 3 599.725 4.641 3 0 KJAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)NC(C)C)OCCCC[C@H](C)O3)cc1 ZINC000095602035 562779878 /nfs/dbraw/zinc/77/98/78/562779878.db2.gz UMSVWEVZFWNFFK-SQRAXXTESA-N -1 3 646.851 4.641 3 0 KJAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)O3)cc1 ZINC000095604032 562780807 /nfs/dbraw/zinc/78/08/07/562780807.db2.gz HEFUULVRZBUEGS-GLBCCIBASA-N -1 3 668.857 4.819 3 0 KJAFHM