smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000040399162 525219903 /nfs/dbraw/zinc/21/99/03/525219903.db2.gz FOUDTZWNTOATAI-HNNXBMFYSA-N -1 3 423.860 3.540 40 0 HHABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccccc1F ZINC000408544735 557362633 /nfs/dbraw/zinc/36/26/33/557362633.db2.gz XHILLCFROJYOSQ-UHFFFAOYSA-N -1 3 423.267 3.810 40 0 HHABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccccc1F ZINC000408544735 557362636 /nfs/dbraw/zinc/36/26/36/557362636.db2.gz XHILLCFROJYOSQ-UHFFFAOYSA-N -1 3 423.267 3.810 40 0 HHABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408561217 557459534 /nfs/dbraw/zinc/45/95/34/557459534.db2.gz HEMHKVUDZNZRSI-GFCCVEGCSA-N -1 3 414.886 3.573 40 0 HHABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408587279 557490509 /nfs/dbraw/zinc/49/05/09/557490509.db2.gz BIYNIESMSVRAMP-KRWDZBQOSA-N -1 3 418.559 3.898 40 0 HHABHM CCc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408591080 557503078 /nfs/dbraw/zinc/50/30/78/557503078.db2.gz IHWTZTRFRYPEJV-INIZCTEOSA-N -1 3 404.532 3.589 40 0 HHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c1C ZINC000408593003 557506809 /nfs/dbraw/zinc/50/68/09/557506809.db2.gz LMWLGPGTSNTLHQ-QGZVFWFLSA-N -1 3 404.532 3.644 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000408612809 557530940 /nfs/dbraw/zinc/53/09/40/557530940.db2.gz YUJQUOXTLONLQM-NSHDSACASA-N -1 3 417.314 3.616 40 0 HHABHM O=C(Nc1ccc(Cl)cc1[O-])C1CCC(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000004544731 557565473 /nfs/dbraw/zinc/56/54/73/557565473.db2.gz MIKMYFBIXGOICR-SHTUXQJQSA-N -1 3 416.905 3.574 40 0 HHABHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3Cl)ccc21 ZINC000019936560 558312041 /nfs/dbraw/zinc/31/20/41/558312041.db2.gz KWIDBBSRXATFJA-UHFFFAOYSA-N -1 3 407.662 3.893 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2cccc(Br)c2)c1 ZINC000020042614 558326272 /nfs/dbraw/zinc/32/62/72/558326272.db2.gz WYSNRLDWIQLHCA-UHFFFAOYSA-N -1 3 403.685 3.726 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCc2ccccc2Cl)c(Cl)c1 ZINC000020488324 558377026 /nfs/dbraw/zinc/37/70/26/558377026.db2.gz QWIWRLNCZFWMGR-UHFFFAOYSA-N -1 3 401.315 3.728 40 0 HHABHM CCCCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000020495283 558380187 /nfs/dbraw/zinc/38/01/87/558380187.db2.gz WZXCXJJKUXSDDL-UHFFFAOYSA-N -1 3 424.906 3.921 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCc2ccc(Cl)cc2)c(Cl)c1 ZINC000022517093 558494176 /nfs/dbraw/zinc/49/41/76/558494176.db2.gz LJBGGRBEBFUTON-UHFFFAOYSA-N -1 3 401.315 3.728 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(Br)c2)cc1Cl ZINC000022521531 558494820 /nfs/dbraw/zinc/49/48/20/558494820.db2.gz CVNJLRXRFMBNMY-UHFFFAOYSA-N -1 3 403.685 3.726 40 0 HHABHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000013109389 558514886 /nfs/dbraw/zinc/51/48/86/558514886.db2.gz KVPDPAYJXWEZAU-CKEIUWERSA-N -1 3 414.836 3.609 40 0 HHABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000028807815 558704830 /nfs/dbraw/zinc/70/48/30/558704830.db2.gz LVELIUJWAHSUKV-UHFFFAOYSA-N -1 3 400.378 3.513 40 0 HHABHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000015413076 558738545 /nfs/dbraw/zinc/73/85/45/558738545.db2.gz WYNMYWRISCNFDM-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(F)cc1F ZINC000016490452 558794635 /nfs/dbraw/zinc/79/46/35/558794635.db2.gz ZPBBJXYGZJETGZ-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000100889380 558800456 /nfs/dbraw/zinc/80/04/56/558800456.db2.gz ABBALDGNDSAVGV-BDTNDASRSA-N -1 3 400.434 3.746 40 0 HHABHM COc1ccc(CN2[C@@H]3CC[C@H]2Cc2nc4cc(C)[n-]n4c(=O)c2C3)cc1OC(C)C ZINC000019130142 558845372 /nfs/dbraw/zinc/84/53/72/558845372.db2.gz DKLYDRPNHJYBIL-MSOLQXFVSA-N -1 3 422.529 3.671 40 0 HHABHM C=Cn1cc(CN2CCC(C[C@@H]3CC(c4ccc(C)cc4)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019208830 558847669 /nfs/dbraw/zinc/84/76/69/558847669.db2.gz KZVSEDABQNDZMR-NRFANRHFSA-N -1 3 422.529 3.851 40 0 HHABHM Cc1cccc(C)c1Nc1noc2c1CN(C(=O)c1cc(CC(C)C)nc(=O)[n-]1)CC2 ZINC000019235793 558854927 /nfs/dbraw/zinc/85/49/27/558854927.db2.gz CQJHNDFVFFFCRI-UHFFFAOYSA-N -1 3 421.501 3.515 40 0 HHABHM C=Cn1ncc(CN2CCC(C[C@H]3CC(c4ccccc4C)=NO3)(C(=O)[O-])CC2)c1C ZINC000019236938 558856321 /nfs/dbraw/zinc/85/63/21/558856321.db2.gz YRXYIEXAIMDHAJ-HXUWFJFHSA-N -1 3 422.529 3.851 40 0 HHABHM CC(C)c1nc(C[C@@H](NC(=O)c2cc(C(C)(C)C)nn2C)c2ccccc2)cc(=O)[n-]1 ZINC000019453570 558891020 /nfs/dbraw/zinc/89/10/20/558891020.db2.gz ZKIDCJSFEPMXKR-GOSISDBHSA-N -1 3 421.545 3.638 40 0 HHABHM CC(C)c1nc(C[C@@H](NC(=O)c2cccc(N(C)C)c2)c2ccccc2)cc(=O)[n-]1 ZINC000019453582 558891036 /nfs/dbraw/zinc/89/10/36/558891036.db2.gz MNSISMPGAFHEHD-OAQYLSRUSA-N -1 3 404.514 3.673 40 0 HHABHM Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)C)C2 ZINC000019566142 558925901 /nfs/dbraw/zinc/92/59/01/558925901.db2.gz JWLJACTWYDNKSJ-LJQANCHMSA-N -1 3 420.513 3.981 40 0 HHABHM Cc1[nH]c2ccc(Cl)cc2c1CN1CCc2c(=O)[n-]c(-c3ccncc3)nc2C1 ZINC000019581394 558936848 /nfs/dbraw/zinc/93/68/48/558936848.db2.gz FMUBPLNIKZMQMX-UHFFFAOYSA-N -1 3 405.889 3.833 40 0 HHABHM CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019584789 558938908 /nfs/dbraw/zinc/93/89/08/558938908.db2.gz FSHMYZHRSLXOHS-IBGZPJMESA-N -1 3 408.527 3.932 40 0 HHABHM COCCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)cc1 ZINC000019593714 558944785 /nfs/dbraw/zinc/94/47/85/558944785.db2.gz CUSHBVMKFQNDLK-JOCHJYFZSA-N -1 3 420.513 3.584 40 0 HHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccnc1 ZINC000100587164 559136870 /nfs/dbraw/zinc/13/68/70/559136870.db2.gz URMJABIZXOISIF-ZCNNSNEGSA-N -1 3 405.841 3.786 40 0 HHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccnc1 ZINC000100587155 559136882 /nfs/dbraw/zinc/13/68/82/559136882.db2.gz URMJABIZXOISIF-UFYCRDLUSA-N -1 3 405.841 3.786 40 0 HHABHM O=C(CSc1nnc(-c2ccccc2[O-])o1)Nc1ccccc1Br ZINC000000873495 560536758 /nfs/dbraw/zinc/53/67/58/560536758.db2.gz CVLRSUGGKXZAQX-UHFFFAOYSA-N -1 3 406.261 3.936 40 0 HHABHM CC1CCN(S(=O)(=O)c2csc(C(=O)[N-]c3cc(C(C)(C)C)on3)c2)CC1 ZINC000006680720 560633885 /nfs/dbraw/zinc/63/38/85/560633885.db2.gz WYSPOMLMXYHYJB-UHFFFAOYSA-N -1 3 411.549 3.707 40 0 HHABHM CCOC(=O)c1sc([N-]C(=O)C(F)(F)F)c(C(=O)Nc2ccccc2)c1C ZINC000409120971 560679728 /nfs/dbraw/zinc/67/97/28/560679728.db2.gz XLRHCRNQVMFFTB-UHFFFAOYSA-N -1 3 400.378 3.986 40 0 HHABHM CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Br)c1[O-] ZINC000409244416 560703042 /nfs/dbraw/zinc/70/30/42/560703042.db2.gz CJHKTWLPUHMGHC-UKTHLTGXSA-N -1 3 416.293 3.626 40 0 HHABHM COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1[O-] ZINC000409253546 560703726 /nfs/dbraw/zinc/70/37/26/560703726.db2.gz ZNQIFODNWYWPMV-OVCLIPMQSA-N -1 3 417.259 3.565 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)c(C)c2)cc1 ZINC000409385728 560717321 /nfs/dbraw/zinc/71/73/21/560717321.db2.gz JUWWIIQIENJGRP-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)N1CCCCC1 ZINC000007361496 560750565 /nfs/dbraw/zinc/75/05/65/560750565.db2.gz WRARXVXPJUWXLB-UHFFFAOYSA-N -1 3 402.516 3.739 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1I ZINC000113941741 560806687 /nfs/dbraw/zinc/80/66/87/560806687.db2.gz QMAHBSVGSLUJDX-UHFFFAOYSA-N -1 3 417.268 3.717 40 0 HHABHM COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(Cl)ccc2[O-])c(F)c1F ZINC000017088102 560863043 /nfs/dbraw/zinc/86/30/43/560863043.db2.gz NDJAOTBKAZOLGP-UHFFFAOYSA-N -1 3 408.760 3.737 40 0 HHABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000005031417 568431594 /nfs/dbraw/zinc/43/15/94/568431594.db2.gz MCEWVEMNJCRCNB-VSKRKVRLSA-N -1 3 400.434 3.752 40 0 HHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(C)cc1C ZINC000222741357 568525222 /nfs/dbraw/zinc/52/52/22/568525222.db2.gz JIQATPGMXRRASJ-AWEZNQCLSA-N -1 3 410.565 3.569 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1OCC(=O)N(C)C ZINC000223245093 568542392 /nfs/dbraw/zinc/54/23/92/568542392.db2.gz CVISDERHTMEKJX-UHFFFAOYSA-N -1 3 417.314 3.570 40 0 HHABHM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000223289922 568544220 /nfs/dbraw/zinc/54/42/20/568544220.db2.gz TUIPPXVNTSDNIU-RUDMXATFSA-N -1 3 418.824 3.919 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccco3)ccc2C)cc1 ZINC000224103052 568570079 /nfs/dbraw/zinc/57/00/79/568570079.db2.gz VKHBJAYPLAWVAZ-UHFFFAOYSA-N -1 3 414.483 3.670 40 0 HHABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)ccc21 ZINC000224979466 568607272 /nfs/dbraw/zinc/60/72/72/568607272.db2.gz RWTVIEXCQCIOEJ-UHFFFAOYSA-N -1 3 413.543 3.777 40 0 HHABHM CCC1(CC)C[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc2O1 ZINC000225404556 568634430 /nfs/dbraw/zinc/63/44/30/568634430.db2.gz MWURLVBMLBWXEN-GOSISDBHSA-N -1 3 402.516 3.871 40 0 HHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000006368744 569331680 /nfs/dbraw/zinc/33/16/80/569331680.db2.gz MBDROZYDKUBDJX-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000100191850 557145051 /nfs/dbraw/zinc/14/50/51/557145051.db2.gz QKCWRQZHQLQNEA-ACRUOGEOSA-N -1 3 404.422 3.729 40 0 HHABHM COc1ccc(C(=O)[N-]n2c(CC(C)C)nc3cc(Cl)ccc3c2=O)c(OC)c1 ZINC000001365037 557257400 /nfs/dbraw/zinc/25/74/00/557257400.db2.gz TYJWPUNQRWJGDH-UHFFFAOYSA-N -1 3 415.877 3.650 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1NC(=O)c1ccccc1 ZINC000408555781 557451795 /nfs/dbraw/zinc/45/17/95/557451795.db2.gz GGROIANARIEIEF-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408587571 557491032 /nfs/dbraw/zinc/49/10/32/557491032.db2.gz FBGPUABCKHZMMB-AWEZNQCLSA-N -1 3 410.923 3.743 40 0 HHABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408587572 557491122 /nfs/dbraw/zinc/49/11/22/557491122.db2.gz FBGPUABCKHZMMB-CQSZACIVSA-N -1 3 410.923 3.743 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1Cl ZINC000408597229 557516750 /nfs/dbraw/zinc/51/67/50/557516750.db2.gz UGSDRQBFRSJHCD-OAHLLOKOSA-N -1 3 424.950 3.989 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)cc2)c(Cl)c1 ZINC000020458336 558371144 /nfs/dbraw/zinc/37/11/44/558371144.db2.gz BZVIHKDTYDVRCW-UHFFFAOYSA-N -1 3 403.685 3.726 40 0 HHABHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCc2ccccc2C1 ZINC000015339240 558734305 /nfs/dbraw/zinc/73/43/05/558734305.db2.gz UEXTYBOQDPFOOM-UHFFFAOYSA-N -1 3 410.470 3.825 40 0 HHABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000016322328 558786434 /nfs/dbraw/zinc/78/64/34/558786434.db2.gz MBWLFFWPDUUOCU-INIZCTEOSA-N -1 3 402.516 3.704 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSc1ccc(C)cc1 ZINC000017331790 558826975 /nfs/dbraw/zinc/82/69/75/558826975.db2.gz ZSDIXMRMQGRLFN-UHFFFAOYSA-N -1 3 416.362 3.837 40 0 HHABHM Cc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(C(C)C)n2)c2ccc(F)cc2)cc1 ZINC000019209940 558848191 /nfs/dbraw/zinc/84/81/91/558848191.db2.gz PQXJWZLVPOKFFK-NRFANRHFSA-N -1 3 407.489 3.984 40 0 HHABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000013687697 558855045 /nfs/dbraw/zinc/85/50/45/558855045.db2.gz MCEWVEMNJCRCNB-FSSWDIPSSA-N -1 3 400.434 3.752 40 0 HHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Cc2cccs2)cc(=O)[n-]1 ZINC000019240941 558859383 /nfs/dbraw/zinc/85/93/83/558859383.db2.gz UABQTVWAERHPKC-VLIAUNLRSA-N -1 3 420.538 3.900 40 0 HHABHM O=C(Cc1ccccc1F)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369330 558877995 /nfs/dbraw/zinc/87/79/95/558877995.db2.gz MOMLRDIVHNOFKS-OAQYLSRUSA-N -1 3 405.473 3.819 40 0 HHABHM CC(C)c1nc(C[C@H](NC(=O)c2cccc(N(C)C)c2)c2ccccc2)cc(=O)[n-]1 ZINC000019453584 558890964 /nfs/dbraw/zinc/89/09/64/558890964.db2.gz MNSISMPGAFHEHD-NRFANRHFSA-N -1 3 404.514 3.673 40 0 HHABHM CCOc1cc(CN2CCC[C@@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)ccc1OC ZINC000019532001 558912132 /nfs/dbraw/zinc/91/21/32/558912132.db2.gz JWOGARHTJPRIHV-GOSISDBHSA-N -1 3 420.513 3.619 40 0 HHABHM C=Cn1ncc(CN2CCC(c3cc(=O)[n-]c(-c4ccc(OC)cc4)n3)CC2)c1C ZINC000019554345 558917488 /nfs/dbraw/zinc/91/74/88/558917488.db2.gz RGJPEAVSPBQZTN-UHFFFAOYSA-N -1 3 405.502 3.843 40 0 HHABHM COc1ccc(NC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)cc1 ZINC000019556657 558919116 /nfs/dbraw/zinc/91/91/16/558919116.db2.gz AIDITQPAIMHCFG-UHFFFAOYSA-N -1 3 410.499 3.919 40 0 HHABHM COCCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1 ZINC000019593716 558944848 /nfs/dbraw/zinc/94/48/48/558944848.db2.gz SUGUWEZSWKJAPL-JOCHJYFZSA-N -1 3 420.513 3.584 40 0 HHABHM COc1cc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc(OC)c1 ZINC000019595113 558945920 /nfs/dbraw/zinc/94/59/20/558945920.db2.gz ZGNKBNHSRXZXBF-NRFANRHFSA-N -1 3 406.486 3.989 40 0 HHABHM O=C([O-])[C@@H](O)CCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000067665019 558990874 /nfs/dbraw/zinc/99/08/74/558990874.db2.gz NRJILSYCORTKLG-FQEVSTJZSA-N -1 3 412.917 3.567 40 0 in-vitro HHABHM O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12)c1ccc2ccccc2c1 ZINC000100354579 559134338 /nfs/dbraw/zinc/13/43/38/559134338.db2.gz OHFWARQRGYXMPA-PXNSSMCTSA-N -1 3 404.809 3.620 40 0 HHABHM COc1ccc(CN[C@H](c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)C(C)C)cc1 ZINC000100769451 559140152 /nfs/dbraw/zinc/14/01/52/559140152.db2.gz WZYLYOBTJNKEPC-QHCPKHFHSA-N -1 3 410.518 3.824 40 0 HHABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1Br)N2 ZINC000409052930 560669630 /nfs/dbraw/zinc/66/96/30/560669630.db2.gz FDUXFMPXUBRGDL-VPJDZLOFSA-N -1 3 405.214 3.948 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccccc1Br)[C@]2([O-])C(F)(F)F ZINC000409176926 560687287 /nfs/dbraw/zinc/68/72/87/560687287.db2.gz BBQFIOGDPFVTOY-XDMRBOTDSA-N -1 3 405.214 3.948 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(Br)cc1)[C@@]2([O-])C(F)(F)F ZINC000409180188 560688261 /nfs/dbraw/zinc/68/82/61/560688261.db2.gz WLNPEZRBRLGEEH-BCQZVRRWSA-N -1 3 405.214 3.948 40 0 HHABHM COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1[O-] ZINC000409228481 560698302 /nfs/dbraw/zinc/69/83/02/560698302.db2.gz ZBWQNSHVXKUIIK-OVCLIPMQSA-N -1 3 417.259 3.565 40 0 HHABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1Cl ZINC000409221600 560698829 /nfs/dbraw/zinc/69/88/29/560698829.db2.gz SSGUYRCYLPKZDK-UHFFFAOYSA-N -1 3 424.689 3.999 40 0 HHABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1Cl ZINC000409251819 560703524 /nfs/dbraw/zinc/70/35/24/560703524.db2.gz WKSUOIZKSYCPBD-UHFFFAOYSA-N -1 3 424.689 3.999 40 0 HHABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706420 560732031 /nfs/dbraw/zinc/73/20/31/560732031.db2.gz XIRGTAFIESYEAK-BHIFYINESA-N -1 3 418.424 3.885 40 0 HHABHM Cc1nc(N2CCN(c3ccc(F)cc3)CC2)[n-]c(=O)c1Cc1ccccc1Cl ZINC000007496505 560751254 /nfs/dbraw/zinc/75/12/54/560751254.db2.gz GYKWPHAFIAGLOL-UHFFFAOYSA-N -1 3 412.896 3.788 40 0 HHABHM CC1(C)CC(=O)C(C(c2ccc(F)cc2[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000005464811 568443694 /nfs/dbraw/zinc/44/36/94/568443694.db2.gz XHWCWQRALFUOQK-UHFFFAOYSA-N -1 3 402.462 3.764 40 0 HHABHM O=c1[n-]c(N2CCCCC2)nc2c1CCN(Cc1cccn1Cc1ccccc1F)C2 ZINC000057731356 568496406 /nfs/dbraw/zinc/49/64/06/568496406.db2.gz YHRGAHRODONERG-UHFFFAOYSA-N -1 3 421.520 3.720 40 0 HHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1C ZINC000223199165 568540947 /nfs/dbraw/zinc/54/09/47/568540947.db2.gz UVQNASANMQKHBJ-MRXNPFEDSA-N -1 3 416.528 3.528 40 0 HHABHM CC(C)c1ccccc1OCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000223788626 568559119 /nfs/dbraw/zinc/55/91/19/568559119.db2.gz VQCDNSDVIKZZPJ-UHFFFAOYSA-N -1 3 410.923 3.644 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2C)cc1 ZINC000224059097 568568235 /nfs/dbraw/zinc/56/82/35/568568235.db2.gz LMJHTPALKAZZTP-GCKMJXCFSA-N -1 3 414.527 3.723 40 0 HHABHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(OC)c(C)c1 ZINC000225429345 568637267 /nfs/dbraw/zinc/63/72/67/568637267.db2.gz NOFSWIDTCFOSDP-QGZVFWFLSA-N -1 3 410.923 3.910 40 0 HHABHM CCOC(=O)[C@@]([O-])(c1ccc(N(CC)C(=O)c2ccccc2C)cc1)C(F)(F)F ZINC000003062717 568852969 /nfs/dbraw/zinc/85/29/69/568852969.db2.gz RIHTXGUGIYIGET-FQEVSTJZSA-N -1 3 409.404 3.975 40 0 HHABHM Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000006044259 569329385 /nfs/dbraw/zinc/32/93/85/569329385.db2.gz ACNYPBRCHKTHJL-UHFFFAOYSA-N -1 3 408.527 3.971 40 0 HHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000006352237 569331294 /nfs/dbraw/zinc/33/12/94/569331294.db2.gz FKTFYIFGHJCLOX-QGZVFWFLSA-N -1 3 404.532 3.788 40 0 HHABHM COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000008109169 569339595 /nfs/dbraw/zinc/33/95/95/569339595.db2.gz BMMQLIVWJGDMJP-SXGWCWSVSA-N -1 3 403.843 3.973 40 0 HHABHM Cc1nc([N-]c2nccnc2[C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)sc1C ZINC000585293323 571309898 /nfs/dbraw/zinc/30/98/98/571309898.db2.gz ZUCRDJNRIQNULL-WAVCKPEOSA-N -1 3 409.515 4.306 40 0 HHABHM COc1cc(-c2cc([N-]C(=O)c3noc4c3C[C@H](C)CC4)on2)cc(OC)c1OC ZINC000020572111 521896032 /nfs/dbraw/zinc/89/60/32/521896032.db2.gz OIDPTEDOGBXQTD-LLVKDONJSA-N -1 3 413.430 3.733 40 0 HHABHM COc1cc2c(cc1OC)[C@H]1C(=O)c3c([O-])cc4c(c3O[C@H]1CO2)C=CC(C)(C)O4 ZINC000001531877 557271389 /nfs/dbraw/zinc/27/13/89/557271389.db2.gz JLTNCZQNGBLBGO-RBUKOAKNSA-N -1 3 410.422 3.714 40 0 in-vitro HHABHM O=C(C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12)c1ccc2ccccc2c1 ZINC000003849305 557500842 /nfs/dbraw/zinc/50/08/42/557500842.db2.gz OHFWARQRGYXMPA-FXAWDEMLSA-N -1 3 404.809 3.620 40 0 HHABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408591061 557503123 /nfs/dbraw/zinc/50/31/23/557503123.db2.gz IDUMVCCSGYYQOF-HNNXBMFYSA-N -1 3 424.950 3.989 40 0 HHABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)NCc1ccco1 ZINC000408600090 557510475 /nfs/dbraw/zinc/51/04/75/557510475.db2.gz UFYYKNZTFLZERX-UHFFFAOYSA-N -1 3 406.467 3.641 40 0 HHABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000408593391 557511059 /nfs/dbraw/zinc/51/10/59/557511059.db2.gz QCJVYWRBVNEGOM-MRXNPFEDSA-N -1 3 404.532 3.903 40 0 HHABHM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000408605877 557518153 /nfs/dbraw/zinc/51/81/53/557518153.db2.gz NTPLBJAQRRHJBX-LBPRGKRZSA-N -1 3 414.886 3.572 40 0 HHABHM CCc1cccc(CC)c1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408605998 557518167 /nfs/dbraw/zinc/51/81/67/557518167.db2.gz KRAOAEIIZVZIGV-CYBMUJFWSA-N -1 3 424.950 3.779 40 0 HHABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccnc1 ZINC000004140182 557519307 /nfs/dbraw/zinc/51/93/07/557519307.db2.gz URMJABIZXOISIF-AQNXPRMDSA-N -1 3 405.841 3.786 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NC1CCCCC1 ZINC000408674656 557674392 /nfs/dbraw/zinc/67/43/92/557674392.db2.gz AZIZWZOKNFFNDD-UHFFFAOYSA-N -1 3 420.506 3.763 40 0 HHABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000006706942 557716563 /nfs/dbraw/zinc/71/65/63/557716563.db2.gz SLUKURGTSXVLIT-QGZVFWFLSA-N -1 3 410.495 3.744 40 0 HHABHM COc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000010543560 558258895 /nfs/dbraw/zinc/25/88/95/558258895.db2.gz DQUWMJXRZJPDLQ-NSHDSACASA-N -1 3 420.314 3.756 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2Br)c(Cl)c1 ZINC000019934520 558311533 /nfs/dbraw/zinc/31/15/33/558311533.db2.gz PHKDJHBTTLUWPX-UHFFFAOYSA-N -1 3 403.685 3.726 40 0 HHABHM COc1ccccc1CCC(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012256393 558362654 /nfs/dbraw/zinc/36/26/54/558362654.db2.gz DXGAXSXLZBLKAX-UHFFFAOYSA-N -1 3 418.497 3.592 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2Br)cc1Cl ZINC000020453669 558367702 /nfs/dbraw/zinc/36/77/02/558367702.db2.gz IEFVZPMCIWDXAQ-UHFFFAOYSA-N -1 3 403.685 3.726 40 0 HHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccncc3)cc2Cl)cc1 ZINC000020455444 558369136 /nfs/dbraw/zinc/36/91/36/558369136.db2.gz FRKFULPSJQHMII-UHFFFAOYSA-N -1 3 415.902 3.774 40 0 HHABHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1 ZINC000020457481 558370715 /nfs/dbraw/zinc/37/07/15/558370715.db2.gz OFTZBFSNXCSHLU-UHFFFAOYSA-N -1 3 418.696 3.831 40 0 HHABHM Cc1cccc(CSCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c1 ZINC000020457976 558371034 /nfs/dbraw/zinc/37/10/34/558371034.db2.gz ZXJIMJZHKPABDE-UHFFFAOYSA-N -1 3 412.964 3.683 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1I ZINC000022259007 558474924 /nfs/dbraw/zinc/47/49/24/558474924.db2.gz ORSAVEDCFJJWHT-UHFFFAOYSA-N -1 3 423.659 3.754 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)NC(C)C ZINC000013679175 558565711 /nfs/dbraw/zinc/56/57/11/558565711.db2.gz DPZYLVSYTLKAPJ-UHFFFAOYSA-N -1 3 417.314 3.941 40 0 HHABHM Cc1cc([O-])c(C(=O)Nc2cccc(Cl)c2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000016790299 558807278 /nfs/dbraw/zinc/80/72/78/558807278.db2.gz PMYQCZMYIPDJSF-UHFFFAOYSA-N -1 3 412.829 3.545 40 0 HHABHM CC(=O)Nc1ccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)cc1 ZINC000019022311 558838077 /nfs/dbraw/zinc/83/80/77/558838077.db2.gz HJGRXYCCDLYNTK-UHFFFAOYSA-N -1 3 422.510 3.889 40 0 HHABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(NCc4ccc(F)cc4)n3)CC2=O)c1C ZINC000019235589 558854638 /nfs/dbraw/zinc/85/46/38/558854638.db2.gz YQKYGIMXMMMNHF-QGZVFWFLSA-N -1 3 406.461 3.658 40 0 HHABHM CCC[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013751129 558864116 /nfs/dbraw/zinc/86/41/16/558864116.db2.gz QHTHISMPQZWDSL-KSZLIROESA-N -1 3 415.287 3.928 40 0 HHABHM CCc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C(C)C)n1)c1ccc(F)cc1 ZINC000019521270 558902596 /nfs/dbraw/zinc/90/25/96/558902596.db2.gz ACRFFSBEXAQLKU-SFHVURJKSA-N -1 3 412.465 3.605 40 0 HHABHM COc1ccccc1CC(=O)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019569617 558928679 /nfs/dbraw/zinc/92/86/79/558928679.db2.gz SBQPPNXADKMPLD-SFHVURJKSA-N -1 3 409.511 3.803 40 0 HHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100569961 559136708 /nfs/dbraw/zinc/13/67/08/559136708.db2.gz AWYACEIVBOFBHB-FKBYEOEOSA-N -1 3 418.424 3.885 40 0 HHABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102734905 559152365 /nfs/dbraw/zinc/15/23/65/559152365.db2.gz LRKJNSYVFCUHII-UFYCRDLUSA-N -1 3 405.841 3.786 40 0 HHABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102735992 559152370 /nfs/dbraw/zinc/15/23/70/559152370.db2.gz DVBZCJRJEDPHLH-AABGKKOBSA-N -1 3 405.841 3.786 40 0 HHABHM CC(C)N(C(=O)CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1)C(C)C ZINC000001371444 560577904 /nfs/dbraw/zinc/57/79/04/560577904.db2.gz XEVATGLGTGDSOB-UHFFFAOYSA-N -1 3 414.503 3.806 40 0 HHABHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)N1CCc2ccccc21 ZINC000004078193 560598452 /nfs/dbraw/zinc/59/84/52/560598452.db2.gz IBMOEMKYLRDKJY-UHFFFAOYSA-N -1 3 402.526 3.533 40 0 HHABHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000006680774 560633883 /nfs/dbraw/zinc/63/38/83/560633883.db2.gz HZXFDWPXFRHAOH-UHFFFAOYSA-N -1 3 414.936 3.924 40 0 HHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000409172384 560686668 /nfs/dbraw/zinc/68/66/68/560686668.db2.gz GKXPVPVUFQSRRW-UHFFFAOYSA-N -1 3 411.669 3.703 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccccc1Br)[C@@]2([O-])C(F)(F)F ZINC000409176924 560687292 /nfs/dbraw/zinc/68/72/92/560687292.db2.gz BBQFIOGDPFVTOY-OSQNNJELSA-N -1 3 405.214 3.948 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(Br)cc1)[C@]2([O-])C(F)(F)F ZINC000409180190 560688251 /nfs/dbraw/zinc/68/82/51/560688251.db2.gz WLNPEZRBRLGEEH-DDHOLCJHSA-N -1 3 405.214 3.948 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(=O)N1CCC(C)CC1 ZINC000014396408 560841359 /nfs/dbraw/zinc/84/13/59/560841359.db2.gz KXCMQRUVMWRGIL-UHFFFAOYSA-N -1 3 416.543 3.985 40 0 HHABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)c1 ZINC000222796795 568526727 /nfs/dbraw/zinc/52/67/27/568526727.db2.gz UZTQHQNQHBJIBY-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c(Cl)cc21 ZINC000223344607 568545874 /nfs/dbraw/zinc/54/58/74/568545874.db2.gz YPVRMMDBQODXEQ-UHFFFAOYSA-N -1 3 407.662 3.893 40 0 HHABHM Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)[N-]c3c(F)cccc3F)o2)cc1 ZINC000223404036 568547644 /nfs/dbraw/zinc/54/76/44/568547644.db2.gz ZLCBAZJGYUWWDN-UHFFFAOYSA-N -1 3 420.437 3.939 40 0 HHABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1Cl ZINC000223831152 568560212 /nfs/dbraw/zinc/56/02/12/568560212.db2.gz AVBRYRMDYJGHNQ-UHFFFAOYSA-N -1 3 422.659 3.829 40 0 HHABHM CC(C)(C)SCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223960847 568564698 /nfs/dbraw/zinc/56/46/98/568564698.db2.gz JHTZVYHKLLFVLI-UHFFFAOYSA-N -1 3 410.536 3.888 40 0 HHABHM CC(C)(C)c1ccc(OCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000224413031 568580538 /nfs/dbraw/zinc/58/05/38/568580538.db2.gz XAGQBMNBQUJNMU-UHFFFAOYSA-N -1 3 424.950 3.818 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000224482069 568582435 /nfs/dbraw/zinc/58/24/35/568582435.db2.gz CAKCWTXEMKCZJM-UHFFFAOYSA-N -1 3 414.270 3.531 40 0 HHABHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224545813 568584561 /nfs/dbraw/zinc/58/45/61/568584561.db2.gz YQSAVVDIUGJGCV-UHFFFAOYSA-N -1 3 420.487 3.568 40 0 HHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccccc1 ZINC000225877836 568682848 /nfs/dbraw/zinc/68/28/48/568682848.db2.gz OIVMFUXJJXKKMY-INIZCTEOSA-N -1 3 416.528 3.528 40 0 HHABHM Cc1ccc(OCC(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c(C)c1 ZINC000226244213 569278773 /nfs/dbraw/zinc/27/87/73/569278773.db2.gz ROVVIPQULSBSDE-UHFFFAOYSA-N -1 3 423.332 3.972 40 0 HHABHM CC(C)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000025581080 569327083 /nfs/dbraw/zinc/32/70/83/569327083.db2.gz DCXCGORUUGMHBZ-SQGPQFPESA-N -1 3 406.404 3.914 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1C ZINC000006416107 569331939 /nfs/dbraw/zinc/33/19/39/569331939.db2.gz HPKXEEFUWOTXPJ-UHFFFAOYSA-N -1 3 402.516 3.542 40 0 HHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000006415669 569331970 /nfs/dbraw/zinc/33/19/70/569331970.db2.gz CMNILPPKQHTFLD-INIZCTEOSA-N -1 3 420.531 3.570 40 0 HHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000006553199 569333402 /nfs/dbraw/zinc/33/34/02/569333402.db2.gz WGYMIPIQUVDVJC-UHFFFAOYSA-N -1 3 404.532 3.789 40 0 HHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 ZINC000033879339 569351479 /nfs/dbraw/zinc/35/14/79/569351479.db2.gz NCQLAKCPIOYUST-UHFFFAOYSA-N -1 3 402.516 3.624 40 0 HHABHM CCCCS(=O)(=O)[N-]c1c(C)nn(Cc2ccc(Br)cc2)c1C ZINC000014224449 962450032 /nfs/dbraw/zinc/45/00/32/962450032.db2.gz UCLZYUZKLNIZQV-UHFFFAOYSA-N -1 3 400.342 3.853 40 0 HHABHM CC(C)Oc1ccc(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000044901562 519779057 /nfs/dbraw/zinc/77/90/57/519779057.db2.gz LRSNGHBLJMLAHL-UHFFFAOYSA-N -1 3 424.950 3.861 40 0 HHABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)c1 ZINC000040399163 524646726 /nfs/dbraw/zinc/64/67/26/524646726.db2.gz JXLCHFIMFKWUAW-OAHLLOKOSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000040400373 525329074 /nfs/dbraw/zinc/32/90/74/525329074.db2.gz GLVQEKCZDCYACI-QGZVFWFLSA-N -1 3 417.469 3.503 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(Cl)cc2)CC(=O)N3)cc1 ZINC000040400446 525329932 /nfs/dbraw/zinc/32/99/32/525329932.db2.gz NJPVEOXXAXWOGU-OAHLLOKOSA-N -1 3 423.860 3.540 40 0 HHABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408582916 557486558 /nfs/dbraw/zinc/48/65/58/557486558.db2.gz FWDQSZGNOXAEBF-CQSZACIVSA-N -1 3 410.923 3.743 40 0 HHABHM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000408593390 557511018 /nfs/dbraw/zinc/51/10/18/557511018.db2.gz QCJVYWRBVNEGOM-INIZCTEOSA-N -1 3 404.532 3.903 40 0 HHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408677689 557683629 /nfs/dbraw/zinc/68/36/29/557683629.db2.gz QRPFNKHCWXXPFN-HNNXBMFYSA-N -1 3 408.495 3.619 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000020036734 558325161 /nfs/dbraw/zinc/32/51/61/558325161.db2.gz RVAIAOJWOMMVDU-UHFFFAOYSA-N -1 3 421.675 3.865 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)c(Cl)c1Cl ZINC000020040785 558325803 /nfs/dbraw/zinc/32/58/03/558325803.db2.gz ULIIDIGSDRKNHO-UHFFFAOYSA-N -1 3 412.298 3.666 40 0 HHABHM CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)cc1 ZINC000012256790 558362627 /nfs/dbraw/zinc/36/26/27/558362627.db2.gz CFVBHULCJZRGQM-GOSISDBHSA-N -1 3 418.497 3.592 40 0 HHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c1 ZINC000027944481 558684902 /nfs/dbraw/zinc/68/49/02/558684902.db2.gz WDFSIRFXWXMSFY-UHFFFAOYSA-N -1 3 407.797 3.624 40 0 HHABHM CC(C)c1nc(C[C@H](NC(=O)Cc2cccc(F)c2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453500 558890741 /nfs/dbraw/zinc/89/07/41/558890741.db2.gz MZTCGNXWSDCNML-FQEVSTJZSA-N -1 3 411.452 3.814 40 0 HHABHM CCOc1cc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)ccc1OC ZINC000019532027 558912333 /nfs/dbraw/zinc/91/23/33/558912333.db2.gz WDBXHVDMYZWNIK-FQEVSTJZSA-N -1 3 420.513 3.966 40 0 HHABHM COc1ccc(OC)c(CN2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)c1 ZINC000019551481 558915544 /nfs/dbraw/zinc/91/55/44/558915544.db2.gz ZAHFOGWGQLRVAN-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM COc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c(OC)c1 ZINC000019552329 558915917 /nfs/dbraw/zinc/91/59/17/558915917.db2.gz JPJZNBOYABCUIA-FQEVSTJZSA-N -1 3 406.486 3.989 40 0 HHABHM COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019554231 558917222 /nfs/dbraw/zinc/91/72/22/558917222.db2.gz JZZWAXJBJBULLG-IBGZPJMESA-N -1 3 409.511 3.803 40 0 HHABHM COc1cccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccccc2)c1 ZINC000019564762 558924844 /nfs/dbraw/zinc/92/48/44/558924844.db2.gz WESZMXCNVCPCQN-NRFANRHFSA-N -1 3 403.482 3.760 40 0 HHABHM COc1cccc(OC)c1CN1CCCC[C@H]1c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019567089 558926419 /nfs/dbraw/zinc/92/64/19/558926419.db2.gz GWHRBWXSKGZPKH-IBGZPJMESA-N -1 3 406.486 3.989 40 0 HHABHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)s1 ZINC000019579277 558934907 /nfs/dbraw/zinc/93/49/07/558934907.db2.gz LWEHMMAFCOELLH-LJQANCHMSA-N -1 3 422.554 3.649 40 0 HHABHM COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000019579296 558934940 /nfs/dbraw/zinc/93/49/40/558934940.db2.gz HLBUCZWQFDZQQI-JOCHJYFZSA-N -1 3 417.509 3.584 40 0 HHABHM CN(C)c1cccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019585045 558938794 /nfs/dbraw/zinc/93/87/94/558938794.db2.gz QSOGCWATNRJMSS-LJQANCHMSA-N -1 3 408.527 3.932 40 0 HHABHM COCCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1 ZINC000019593717 558944746 /nfs/dbraw/zinc/94/47/46/558944746.db2.gz SUGUWEZSWKJAPL-QFIPXVFZSA-N -1 3 420.513 3.584 40 0 HHABHM O=c1cc(C2CCN(Cc3cccnc3)CC2)nc(N[C@H]2CCOc3ccccc32)[n-]1 ZINC000019717482 558980033 /nfs/dbraw/zinc/98/00/33/558980033.db2.gz IDYLNCGZPINDLT-FQEVSTJZSA-N -1 3 417.513 3.893 40 0 HHABHM Cc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c(Br)c1 ZINC000016362920 559078817 /nfs/dbraw/zinc/07/88/17/559078817.db2.gz KBLUINDDQOTBDF-KRWDZBQOSA-N -1 3 416.275 3.730 40 0 HHABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000136458153 559277113 /nfs/dbraw/zinc/27/71/13/559277113.db2.gz AJAPTWKTHVPRHV-FDFHNCONSA-N -1 3 418.424 3.885 40 0 HHABHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c(Cl)c1 ZINC000008369831 559280958 /nfs/dbraw/zinc/28/09/58/559280958.db2.gz HZMODYNSIZIXBE-OQLLNIDSSA-N -1 3 404.900 3.900 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1C ZINC000409383048 560717519 /nfs/dbraw/zinc/71/75/19/560717519.db2.gz TYNQUHJPQZYBNX-UHFFFAOYSA-N -1 3 416.543 3.742 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccccc1 ZINC000409390167 560720652 /nfs/dbraw/zinc/72/06/52/560720652.db2.gz JVNZSPDQODZMQQ-UHFFFAOYSA-N -1 3 400.431 3.644 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000007360845 560750456 /nfs/dbraw/zinc/75/04/56/560750456.db2.gz QNOBOAAXUWDLAD-UHFFFAOYSA-N -1 3 418.515 3.521 40 0 HHABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c1 ZINC000004693701 568419195 /nfs/dbraw/zinc/41/91/95/568419195.db2.gz WTVQUSKAZVHUDT-BDTNDASRSA-N -1 3 418.424 3.885 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000025652401 568529713 /nfs/dbraw/zinc/52/97/13/568529713.db2.gz YGJTVOQBGTVWIT-UHFFFAOYSA-N -1 3 424.238 3.955 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000224881311 568601972 /nfs/dbraw/zinc/60/19/72/568601972.db2.gz MZWRPBYPYPSWSD-UHFFFAOYSA-N -1 3 408.785 3.862 40 0 HHABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 ZINC000260927153 568744799 /nfs/dbraw/zinc/74/47/99/568744799.db2.gz YLPCQPZNYUQVLJ-HVETUWLQSA-N -1 3 420.538 3.945 40 0 HHABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000257313221 568808159 /nfs/dbraw/zinc/80/81/59/568808159.db2.gz URLCXQFPODQFEK-UKAVVXHISA-N -1 3 409.482 3.982 40 0 HHABHM CC(C)(C)c1ccc(OCC(=O)[O-])c(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)c1 ZINC000257329083 568812819 /nfs/dbraw/zinc/81/28/19/568812819.db2.gz XIIFOJYOHOEVKA-RDPSFJRHSA-N -1 3 416.562 3.861 40 0 HHABHM Cc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000006205691 569329831 /nfs/dbraw/zinc/32/98/31/569329831.db2.gz VGTJFSNVDCUNNF-LBPRGKRZSA-N -1 3 401.315 3.916 40 0 HHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)c1 ZINC000006553275 569333335 /nfs/dbraw/zinc/33/33/35/569333335.db2.gz DPTDWIMIJVIWDO-UHFFFAOYSA-N -1 3 416.543 3.742 40 0 HHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000006553208 569333382 /nfs/dbraw/zinc/33/33/82/569333382.db2.gz PEWDYFDRHFAHGM-KRWDZBQOSA-N -1 3 404.532 3.788 40 0 HHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000006636380 569334196 /nfs/dbraw/zinc/33/41/96/569334196.db2.gz DCVSCXYRKIOLKM-CQSZACIVSA-N -1 3 410.923 3.824 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)N1CCC(C)CC1 ZINC000007363488 569337467 /nfs/dbraw/zinc/33/74/67/569337467.db2.gz HGOHQRHJKCEEGM-UHFFFAOYSA-N -1 3 416.543 3.985 40 0 HHABHM Cc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000033742239 569351279 /nfs/dbraw/zinc/35/12/79/569351279.db2.gz YSZIYFJTRDCYPH-LBPRGKRZSA-N -1 3 401.315 3.916 40 0 HHABHM O=C([O-])c1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 ZINC000049169733 291259461 /nfs/dbraw/zinc/25/94/61/291259461.db2.gz PFCPMSNCKXPEQU-KRWDZBQOSA-N -1 3 402.454 3.829 40 0 biogenic,in-vitro HHABHM CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000005284299 132304842 /nfs/dbraw/zinc/30/48/42/132304842.db2.gz WAPOIDKAIVILIB-OAQYLSRUSA-N -1 3 412.505 3.971 40 0 HHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)cc1 ZINC000040399339 525198536 /nfs/dbraw/zinc/19/85/36/525198536.db2.gz IZZMFWVWBWTCTF-OAHLLOKOSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1nn(COc2ccc(F)cc2F)c(C)c1[N-]S(=O)(=O)Cc1ccccc1 ZINC000032609824 526284519 /nfs/dbraw/zinc/28/45/19/526284519.db2.gz VAAZTHIPVIEMCM-UHFFFAOYSA-N -1 3 407.442 3.757 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCCCC1 ZINC000408583543 557482235 /nfs/dbraw/zinc/48/22/35/557482235.db2.gz IFTDWLLNBWLNOL-GFCCVEGCSA-N -1 3 407.363 3.889 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)c(Cl)c2)cc1 ZINC000408584908 557488218 /nfs/dbraw/zinc/48/82/18/557488218.db2.gz WLUVDWLHWMZTOO-UHFFFAOYSA-N -1 3 422.934 3.887 40 0 HHABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408586126 557489910 /nfs/dbraw/zinc/48/99/10/557489910.db2.gz AIYBBMZTSPGOJN-MRXNPFEDSA-N -1 3 418.559 3.904 40 0 HHABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408679272 557686104 /nfs/dbraw/zinc/68/61/04/557686104.db2.gz VSVSVMZWBGFFMT-UHFFFAOYSA-N -1 3 410.923 3.744 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1ccccc1 ZINC000007689532 557756434 /nfs/dbraw/zinc/75/64/34/557756434.db2.gz AZWQPFDADYSOJT-UHFFFAOYSA-N -1 3 416.362 3.669 40 0 HHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1OC ZINC000010008884 557853332 /nfs/dbraw/zinc/85/33/32/557853332.db2.gz ONSYNMMHDPPVOD-UHFFFAOYSA-N -1 3 403.287 3.553 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1NC(C)=O ZINC000020025212 558322243 /nfs/dbraw/zinc/32/22/43/558322243.db2.gz GWWLYAALOMLYIV-UHFFFAOYSA-N -1 3 406.357 3.612 40 0 HHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000026527225 558662306 /nfs/dbraw/zinc/66/23/06/558662306.db2.gz IBVXOASFWLLLBO-UHFFFAOYSA-N -1 3 404.669 3.690 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(F)cc1 ZINC000016490428 558794548 /nfs/dbraw/zinc/79/45/48/558794548.db2.gz SXRBYROGGZFYIY-UHFFFAOYSA-N -1 3 400.431 3.644 40 0 HHABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100932825 558810657 /nfs/dbraw/zinc/81/06/57/558810657.db2.gz XIRGTAFIESYEAK-FKBYEOEOSA-N -1 3 418.424 3.885 40 0 HHABHM Cc1ccc([C@@H](NCc2c(C)nc(N3CCCCC3)[n-]c2=O)c2cccnc2)cc1 ZINC000019136771 558846394 /nfs/dbraw/zinc/84/63/94/558846394.db2.gz BVWMMUMHKLKCMQ-JOCHJYFZSA-N -1 3 403.530 3.651 40 0 HHABHM COc1ccc(CN[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1OC ZINC000019285164 558859679 /nfs/dbraw/zinc/85/96/79/558859679.db2.gz JRWQONSBUASZPQ-HXUWFJFHSA-N -1 3 418.497 3.650 40 0 HHABHM CC[C@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019499823 558897734 /nfs/dbraw/zinc/89/77/34/558897734.db2.gz ADSQQGFMIKJEGU-HOTGVXAUSA-N -1 3 414.575 3.554 40 0 HHABHM CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019520047 558900991 /nfs/dbraw/zinc/90/09/91/558900991.db2.gz MYLKFOWWELJFFN-UHFFFAOYSA-N -1 3 409.511 3.917 40 0 HHABHM CCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1CO ZINC000019533662 558913275 /nfs/dbraw/zinc/91/32/75/558913275.db2.gz IRVQCTFRAQSZNP-NRFANRHFSA-N -1 3 420.513 3.862 40 0 HHABHM COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019564314 558924511 /nfs/dbraw/zinc/92/45/11/558924511.db2.gz RSLRYXUDSZUPPK-LJQANCHMSA-N -1 3 409.511 3.803 40 0 HHABHM COCCOc1ccc(CN2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000019593712 558944889 /nfs/dbraw/zinc/94/48/89/558944889.db2.gz AJKPSUPWUIJUSM-NRFANRHFSA-N -1 3 406.486 3.607 40 0 HHABHM Cc1c(-c2csc([N-]C(=O)c3cc(COc4ccccc4F)on3)n2)cnn1C ZINC000019663128 558953970 /nfs/dbraw/zinc/95/39/70/558953970.db2.gz IGFCAEJFOWVXPR-UHFFFAOYSA-N -1 3 413.434 3.810 40 0 HHABHM O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377908 558967053 /nfs/dbraw/zinc/96/70/53/558967053.db2.gz VXFWEGYVTCUZHB-INIZCTEOSA-N -1 3 408.893 3.612 40 0 HHABHM CCOc1ccc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393082 558972824 /nfs/dbraw/zinc/97/28/24/558972824.db2.gz OYWOELBBDPNZCE-IBGZPJMESA-N -1 3 420.513 3.619 40 0 HHABHM CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3cc(Cl)ccc3[O-])c2)CC1 ZINC000006680685 560633901 /nfs/dbraw/zinc/63/39/01/560633901.db2.gz XVGHXQHZUFHNDZ-UHFFFAOYSA-N -1 3 414.936 3.780 40 0 HHABHM Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3ccccc3[O-])c2)c1 ZINC000006681205 560634191 /nfs/dbraw/zinc/63/41/91/560634191.db2.gz DFEVMKXYNHRDOA-UHFFFAOYSA-N -1 3 402.497 3.840 40 0 HHABHM COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Br)c1[O-] ZINC000409235647 560701153 /nfs/dbraw/zinc/70/11/53/560701153.db2.gz CRNOVXKITBUZNM-UHFFFAOYSA-N -1 3 421.360 3.657 40 0 HHABHM COc1ccc(C)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409393983 560719583 /nfs/dbraw/zinc/71/95/83/560719583.db2.gz ZVIRPPWMCUVNQU-NSHDSACASA-N -1 3 417.314 3.616 40 0 HHABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1c(F)cccc1F ZINC000409387658 560720142 /nfs/dbraw/zinc/72/01/42/560720142.db2.gz AVWMVXPMHDFUPV-QMMMGPOBSA-N -1 3 409.241 3.577 40 0 HHABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000103769350 560734676 /nfs/dbraw/zinc/73/46/76/560734676.db2.gz HAOGGYBYGLJRGB-AEFFLSMTSA-N -1 3 416.264 3.625 40 0 HHABHM COc1cccc(N2CCN(c3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[n-]3)CC2)c1 ZINC000017094168 560868745 /nfs/dbraw/zinc/86/87/45/560868745.db2.gz BDAINNZDOPCYDB-UHFFFAOYSA-N -1 3 424.932 3.658 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1 ZINC000222674902 568523221 /nfs/dbraw/zinc/52/32/21/568523221.db2.gz CVVBEAZREWBFOM-UHFFFAOYSA-N -1 3 410.495 3.838 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N(C)c1ccccc1 ZINC000222798596 568526890 /nfs/dbraw/zinc/52/68/90/568526890.db2.gz QMXAZLCJRNGVRR-UHFFFAOYSA-N -1 3 410.495 3.838 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC(C)CC3)ccc2C)cc1 ZINC000224058229 568568254 /nfs/dbraw/zinc/56/82/54/568568254.db2.gz GOMKJIMZCVSMGU-UHFFFAOYSA-N -1 3 402.516 3.677 40 0 HHABHM O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224572158 568585783 /nfs/dbraw/zinc/58/57/83/568585783.db2.gz JVMAMXQQXXHCOD-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000257272531 568796408 /nfs/dbraw/zinc/79/64/08/568796408.db2.gz NCTCDSKDWBFKQQ-KRWDZBQOSA-N -1 3 417.575 3.589 40 0 HHABHM CS(=O)(=O)c1c[n-]nc1C[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000257272531 568796409 /nfs/dbraw/zinc/79/64/09/568796409.db2.gz NCTCDSKDWBFKQQ-KRWDZBQOSA-N -1 3 417.575 3.589 40 0 HHABHM CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(Cl)c1[O-] ZINC000261363873 568819584 /nfs/dbraw/zinc/81/95/84/568819584.db2.gz YBBSRGMQLMTAHZ-KRWDZBQOSA-O -1 3 417.898 3.589 40 0 HHABHM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000253591146 569318213 /nfs/dbraw/zinc/31/82/13/569318213.db2.gz KGTBTABUXNEZMY-BJZITVGISA-N -1 3 412.559 3.512 40 0 HHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000006553207 569333359 /nfs/dbraw/zinc/33/33/59/569333359.db2.gz PEWDYFDRHFAHGM-QGZVFWFLSA-N -1 3 404.532 3.788 40 0 HHABHM Cc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000033742238 569351254 /nfs/dbraw/zinc/35/12/54/569351254.db2.gz YSZIYFJTRDCYPH-GFCCVEGCSA-N -1 3 401.315 3.916 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 ZINC000033743348 569351301 /nfs/dbraw/zinc/35/13/01/569351301.db2.gz IZAFJZDAFMXOMB-UHFFFAOYSA-N -1 3 412.467 3.514 40 0 HHABHM Cc1cc2n(c1)Cc1cc(Cl)ccc1N=C2N1CCN(CC(C)(C)C(=O)[O-])CC1 ZINC000145239634 569355197 /nfs/dbraw/zinc/35/51/97/569355197.db2.gz ABMQFLYDPIJFAT-UHFFFAOYSA-N -1 3 414.937 3.618 40 0 HHABHM COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018056145 569383493 /nfs/dbraw/zinc/38/34/93/569383493.db2.gz DVRPZJPCGJGFTH-FKBYEOEOSA-N -1 3 418.424 3.885 40 0 HHABHM CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(Cl)c1[O-] ZINC000261363874 569413566 /nfs/dbraw/zinc/41/35/66/569413566.db2.gz YBBSRGMQLMTAHZ-QGZVFWFLSA-O -1 3 417.898 3.589 40 0 HHABHM CN(C)CCNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2ccccc2)n1 ZINC000328981945 521775301 /nfs/dbraw/zinc/77/53/01/521775301.db2.gz GWXRHXRFYGHDMH-UHFFFAOYSA-N -1 3 418.328 3.717 40 0 HHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000040399161 525199401 /nfs/dbraw/zinc/19/94/01/525199401.db2.gz FOUDTZWNTOATAI-OAHLLOKOSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(Cl)c2)CC(=O)N3)cc1 ZINC000040400450 525330294 /nfs/dbraw/zinc/33/02/94/525330294.db2.gz RBLYRVKNMXTPSG-OAHLLOKOSA-N -1 3 423.860 3.540 40 0 HHABHM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562952 557462184 /nfs/dbraw/zinc/46/21/84/557462184.db2.gz SNNKZMIGBBONJO-UHFFFAOYSA-N -1 3 414.886 3.527 40 0 HHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1OCC ZINC000408585388 557488982 /nfs/dbraw/zinc/48/89/82/557488982.db2.gz GCPHVBDECZZVIY-UHFFFAOYSA-N -1 3 400.403 3.733 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1Cl ZINC000408589960 557499540 /nfs/dbraw/zinc/49/95/40/557499540.db2.gz IJUFPZLOXORIIN-CQSZACIVSA-N -1 3 410.923 3.741 40 0 HHABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408589990 557499585 /nfs/dbraw/zinc/49/95/85/557499585.db2.gz IOGKONMSLCNXJZ-UHFFFAOYSA-N -1 3 410.923 3.744 40 0 HHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000004070128 557509457 /nfs/dbraw/zinc/50/94/57/557509457.db2.gz JYJQMKATQMDTHU-FKBYEOEOSA-N -1 3 400.434 3.746 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000408608837 557532148 /nfs/dbraw/zinc/53/21/48/557532148.db2.gz PXQPMLMGXMMCPZ-LLVKDONJSA-N -1 3 417.314 3.616 40 0 HHABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1 ZINC000408678549 557685033 /nfs/dbraw/zinc/68/50/33/557685033.db2.gz SPGYAOMOMDQIQM-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM COc1ccccc1CCC(=O)N1CCC(c2nc(-c3cccnc3)cc(=O)[n-]2)CC1 ZINC000012234396 558358540 /nfs/dbraw/zinc/35/85/40/558358540.db2.gz FHNIFXIDSDKUML-UHFFFAOYSA-N -1 3 418.497 3.592 40 0 HHABHM CC1=C(NC(=O)c2cc(-c3ccccc3[O-])on2)[C@H](C)NN1Cc1ccccc1C ZINC000020418510 558361640 /nfs/dbraw/zinc/36/16/40/558361640.db2.gz OWQDKOUBBXJBBM-HNNXBMFYSA-N -1 3 404.470 3.726 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccccc2F)cc1Cl ZINC000020460972 558373116 /nfs/dbraw/zinc/37/31/16/558373116.db2.gz WNKYFMDTCGSMJB-UHFFFAOYSA-N -1 3 416.927 3.514 40 0 HHABHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000013647597 558557214 /nfs/dbraw/zinc/55/72/14/558557214.db2.gz OHGKCZLJRGCODZ-UHFFFAOYSA-N -1 3 404.315 3.922 40 0 HHABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)ccc21 ZINC000015243070 558729357 /nfs/dbraw/zinc/72/93/57/558729357.db2.gz FCURZDQKWVDZOU-UHFFFAOYSA-N -1 3 422.506 3.975 40 0 HHABHM O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015267456 558729924 /nfs/dbraw/zinc/72/99/24/558729924.db2.gz XDDVUQCKBYDVAL-UHFFFAOYSA-N -1 3 414.414 3.608 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000016293492 558784359 /nfs/dbraw/zinc/78/43/59/558784359.db2.gz AHBZRTFWTYPWEJ-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1 ZINC000016293284 558784416 /nfs/dbraw/zinc/78/44/16/558784416.db2.gz KCKSFQPJXGAGMR-UHFFFAOYSA-N -1 3 402.516 3.577 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cccc(F)c1 ZINC000016490469 558794529 /nfs/dbraw/zinc/79/45/29/558794529.db2.gz ORJYNTRDZSIXLJ-UHFFFAOYSA-N -1 3 400.431 3.644 40 0 HHABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccco2)cc1 ZINC000100799305 558796053 /nfs/dbraw/zinc/79/60/53/558796053.db2.gz HXJRKUHQBVJCQZ-AABGKKOBSA-N -1 3 424.840 3.993 40 0 HHABHM Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1 ZINC000019209723 558848043 /nfs/dbraw/zinc/84/80/43/558848043.db2.gz YWHNCRFMMXMLFY-OAQYLSRUSA-N -1 3 408.546 3.553 40 0 HHABHM Cc1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)cc1F ZINC000019214471 558849686 /nfs/dbraw/zinc/84/96/86/558849686.db2.gz RHLXCYZDVLNKKI-FQEVSTJZSA-N -1 3 409.436 3.948 40 0 HHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccc2C)cc(=O)[n-]1 ZINC000019237099 558856248 /nfs/dbraw/zinc/85/62/48/558856248.db2.gz MZAWXFCHKPKNKT-OAQYLSRUSA-N -1 3 400.482 3.511 40 0 HHABHM C=Cn1ncc(CN2CCC(C[C@@H]3CC(c4ccccc4C)=NO3)(C(=O)[O-])CC2)c1C ZINC000019236939 558856338 /nfs/dbraw/zinc/85/63/38/558856338.db2.gz YRXYIEXAIMDHAJ-FQEVSTJZSA-N -1 3 422.529 3.851 40 0 HHABHM COc1cc(CN2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)cc(OC)c1OC ZINC000019549765 558914442 /nfs/dbraw/zinc/91/44/42/558914442.db2.gz KFPDCIDWLZDWDF-GOSISDBHSA-N -1 3 422.485 3.607 40 0 HHABHM CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019584787 558938779 /nfs/dbraw/zinc/93/87/79/558938779.db2.gz FSHMYZHRSLXOHS-LJQANCHMSA-N -1 3 408.527 3.932 40 0 HHABHM Cc1cc2cc(NC(=O)CC[C@]3(c4ccccc4)NC(=O)[N-]C3=O)cc(Cl)c2o1 ZINC000019659869 558951095 /nfs/dbraw/zinc/95/10/95/558951095.db2.gz NNIBJTAWQKVZIX-OAQYLSRUSA-N -1 3 411.845 3.848 40 0 HHABHM C=Cn1cc(CN2CCC(C[C@H]3CC(c4ccccc4C)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000072389730 558970253 /nfs/dbraw/zinc/97/02/53/558970253.db2.gz GZRAHGDCZQOTJV-HXUWFJFHSA-N -1 3 422.529 3.851 40 0 HHABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000095396967 559081063 /nfs/dbraw/zinc/08/10/63/559081063.db2.gz BBDZXTPMYXECLD-AABGKKOBSA-N -1 3 406.463 3.808 40 0 HHABHM CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)CC1 ZINC000100155187 559130900 /nfs/dbraw/zinc/13/09/00/559130900.db2.gz KGLZJYPWKYSLTP-VPWXQRGCSA-N -1 3 408.502 3.577 40 0 HHABHM O=C(C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12)c1ccc2ccccc2c1 ZINC000100354569 559134335 /nfs/dbraw/zinc/13/43/35/559134335.db2.gz OHFWARQRGYXMPA-YLJYHZDGSA-N -1 3 404.809 3.620 40 0 HHABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(O)c1 ZINC000102729524 559152310 /nfs/dbraw/zinc/15/23/10/559152310.db2.gz IGUTXHYMHKWJIM-ACRUOGEOSA-N -1 3 404.397 3.582 40 0 HHABHM [O-]c1cc(O)ccc1-c1nc2ccc(Br)cn2c1NC[C@H]1CCCO1 ZINC000000904253 560544932 /nfs/dbraw/zinc/54/49/32/560544932.db2.gz MBBFPXPYRXMDJE-CYBMUJFWSA-N -1 3 404.264 3.766 40 0 HHABHM COc1cccc(NC(=O)CSc2nnc([N-]C(=O)c3cccs3)s2)c1 ZINC000007388317 560635385 /nfs/dbraw/zinc/63/53/85/560635385.db2.gz XZKZMEUZJUEMTF-UHFFFAOYSA-N -1 3 406.514 3.591 40 0 HHABHM CC(=O)c1ccc(NC(=O)CSc2nnc([N-]C(=O)c3cccs3)s2)cc1 ZINC000008823003 560639597 /nfs/dbraw/zinc/63/95/97/560639597.db2.gz RNZAWRQHAVSXRQ-UHFFFAOYSA-N -1 3 418.525 3.785 40 0 HHABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1Cl ZINC000409230467 560700195 /nfs/dbraw/zinc/70/01/95/560700195.db2.gz YPKQDJKCMPKBSJ-UHFFFAOYSA-N -1 3 424.689 3.999 40 0 HHABHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](/C=C/c2ccccc2)CC4=O)n1 ZINC000013639659 560826216 /nfs/dbraw/zinc/82/62/16/560826216.db2.gz HEUIUJUGSVAKIF-KBOKABMXSA-N -1 3 411.465 3.579 40 0 HHABHM COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Br)c1[O-] ZINC000015260133 560842324 /nfs/dbraw/zinc/84/23/24/560842324.db2.gz CAHVYWABGUKGHQ-JYRVWZFOSA-N -1 3 411.321 3.554 40 0 HHABHM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)[N-]c1c(F)cccc1F ZINC000057358984 568491542 /nfs/dbraw/zinc/49/15/42/568491542.db2.gz FARGOZHRZBGGHL-UHFFFAOYSA-N -1 3 424.469 3.790 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCOc2cccc3ccccc32)c(Cl)c1 ZINC000223550293 568551505 /nfs/dbraw/zinc/55/15/05/568551505.db2.gz RHSZWYXOTGKKDF-UHFFFAOYSA-N -1 3 418.902 3.674 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(Cl)c1 ZINC000224407015 568580474 /nfs/dbraw/zinc/58/04/74/568580474.db2.gz UVIZIKKQADICLW-UHFFFAOYSA-N -1 3 415.902 3.950 40 0 HHABHM O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224521696 568583479 /nfs/dbraw/zinc/58/34/79/568583479.db2.gz NDJBVBKHRHVYND-UHFFFAOYSA-N -1 3 400.431 3.644 40 0 HHABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224557607 568585189 /nfs/dbraw/zinc/58/51/89/568585189.db2.gz CDJKAFANJOWOFL-UHFFFAOYSA-N -1 3 414.458 3.816 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)cc1 ZINC000224572979 568585739 /nfs/dbraw/zinc/58/57/39/568585739.db2.gz BUWXSFHMYZSNAE-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM Cn1cc(CN2CCC(c3ccnc([N-]c4ncccc4C(F)(F)F)n3)CC2)cn1 ZINC000257222572 568782811 /nfs/dbraw/zinc/78/28/11/568782811.db2.gz DTUOEBLRNVYBFA-UHFFFAOYSA-N -1 3 417.439 3.747 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1C ZINC000006352401 569331354 /nfs/dbraw/zinc/33/13/54/569331354.db2.gz CQBUEPSJCRUDIB-UHFFFAOYSA-N -1 3 404.532 3.645 40 0 HHABHM CCc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006604389 569333767 /nfs/dbraw/zinc/33/37/67/569333767.db2.gz PXWVHALPEJZELH-LLVKDONJSA-N -1 3 401.315 3.861 40 0 HHABHM CCc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006604392 569333784 /nfs/dbraw/zinc/33/37/84/569333784.db2.gz PXWVHALPEJZELH-NSHDSACASA-N -1 3 401.315 3.861 40 0 HHABHM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362099 569337392 /nfs/dbraw/zinc/33/73/92/569337392.db2.gz USFNRJXPZBPELW-KRWDZBQOSA-N -1 3 404.532 3.706 40 0 HHABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000008092235 569339551 /nfs/dbraw/zinc/33/95/51/569339551.db2.gz LPZAZSXNFTYVHS-UHFFFAOYSA-N -1 3 404.669 3.690 40 0 HHABHM COc1ccccc1NC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000021112788 569349745 /nfs/dbraw/zinc/34/97/45/569349745.db2.gz DYZWFIUZMWSKRM-UHFFFAOYSA-N -1 3 404.879 3.777 40 0 HHABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Cl ZINC000033648985 569350866 /nfs/dbraw/zinc/35/08/66/569350866.db2.gz SGKNUXVJUUYNEC-VIFPVBQESA-N -1 3 407.706 3.952 40 0 HHABHM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Cl)c([O-])c(OC)c1 ZINC000261363483 569413534 /nfs/dbraw/zinc/41/35/34/569413534.db2.gz SROOCXLEXJZNBQ-QGZVFWFLSA-O -1 3 417.898 3.589 40 0 HHABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399165 525257713 /nfs/dbraw/zinc/25/77/13/525257713.db2.gz SPPUJIGTQDCANJ-CQSZACIVSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(Cl)c2)CC(=O)N3)cc1 ZINC000040400448 525328720 /nfs/dbraw/zinc/32/87/20/525328720.db2.gz RBLYRVKNMXTPSG-HNNXBMFYSA-N -1 3 423.860 3.540 40 0 HHABHM COc1cc(OC)cc(-c2nc(Sc3oc(C=O)cc3Br)n[n-]2)c1 ZINC000408554531 557444474 /nfs/dbraw/zinc/44/44/74/557444474.db2.gz SYPIYZRZQFIDFA-UHFFFAOYSA-N -1 3 410.249 3.808 40 0 HHABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408613490 557529867 /nfs/dbraw/zinc/52/98/67/557529867.db2.gz UPNVGPRPKOTLBY-HNNXBMFYSA-N -1 3 420.506 3.843 40 0 HHABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1C ZINC000408612764 557530927 /nfs/dbraw/zinc/53/09/27/557530927.db2.gz YQLSRLFABLYNBA-UHFFFAOYSA-N -1 3 410.495 3.734 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000408608354 557532001 /nfs/dbraw/zinc/53/20/01/557532001.db2.gz PEUUEISIOXYVSK-LLVKDONJSA-N -1 3 417.314 3.616 40 0 HHABHM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)NC(=O)[N-]C(=O)OCc1ccccc1 ZINC000005714370 557669997 /nfs/dbraw/zinc/66/99/97/557669997.db2.gz BMVCOWYLCFKYLO-SFHVURJKSA-N -1 3 413.474 3.716 40 0 HHABHM COc1ccc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)cc1Br ZINC000006275132 557697478 /nfs/dbraw/zinc/69/74/78/557697478.db2.gz RUFFXUWQISLLRW-UHFFFAOYSA-N -1 3 406.516 3.641 40 0 HHABHM COc1ccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)cc1Br ZINC000006275132 557697480 /nfs/dbraw/zinc/69/74/80/557697480.db2.gz RUFFXUWQISLLRW-UHFFFAOYSA-N -1 3 406.516 3.641 40 0 HHABHM COc1cc2sc(NC(=S)[N-]C(=O)COc3ccccc3)nc2cc1Cl ZINC000006646155 557711886 /nfs/dbraw/zinc/71/18/86/557711886.db2.gz UZXNGJCPDYKELY-UHFFFAOYSA-N -1 3 407.904 3.850 40 0 HHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 ZINC000010009039 557853604 /nfs/dbraw/zinc/85/36/04/557853604.db2.gz LZBWMQDSXQAQQF-UHFFFAOYSA-N -1 3 404.532 3.977 40 0 HHABHM COc1ccccc1CCC(=O)N1CCC(c2nc(-c3ccncc3)cc(=O)[n-]2)CC1 ZINC000012256590 558362640 /nfs/dbraw/zinc/36/26/40/558362640.db2.gz FKTKKUUOFSHFGL-UHFFFAOYSA-N -1 3 418.497 3.592 40 0 HHABHM O=C(CCc1ccccc1F)N1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012257020 558363023 /nfs/dbraw/zinc/36/30/23/558363023.db2.gz YCCUPVROBUFQCZ-SFHVURJKSA-N -1 3 406.461 3.722 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)cc2)cc1Cl ZINC000020460898 558372908 /nfs/dbraw/zinc/37/29/08/558372908.db2.gz XJJQXULERICODX-UHFFFAOYSA-N -1 3 403.685 3.726 40 0 HHABHM Cc1nnc(SCc2cc(=O)[n-]c(NC(=N)Nc3ccc(C)c(Cl)c3)n2)s1 ZINC000013634088 558553300 /nfs/dbraw/zinc/55/33/00/558553300.db2.gz OGJJPLCOQKTGTJ-UHFFFAOYSA-N -1 3 421.939 3.643 40 0 HHABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc21 ZINC000028260703 558694037 /nfs/dbraw/zinc/69/40/37/558694037.db2.gz JWDBSWXKOBXBIA-UHFFFAOYSA-N -1 3 400.500 3.718 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)cc2F)c(Cl)c1 ZINC000030755253 558736863 /nfs/dbraw/zinc/73/68/63/558736863.db2.gz ALDOYJOVHLVDNM-UHFFFAOYSA-N -1 3 421.675 3.865 40 0 HHABHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)nc2n1 ZINC000019118870 558842543 /nfs/dbraw/zinc/84/25/43/558842543.db2.gz HBWSFBHTRVUFQB-AWEZNQCLSA-N -1 3 424.526 3.642 40 0 HHABHM Cc1cccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019234832 558853993 /nfs/dbraw/zinc/85/39/93/558853993.db2.gz FNEXFTMZDMTAAV-OAQYLSRUSA-N -1 3 400.482 3.511 40 0 HHABHM O=C(Cc1ccc(F)cc1)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019333394 558869023 /nfs/dbraw/zinc/86/90/23/558869023.db2.gz SPXJZYQNFBYWMP-OAQYLSRUSA-N -1 3 423.463 3.958 40 0 HHABHM COc1ccc(OC)c(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000019551551 558915585 /nfs/dbraw/zinc/91/55/85/558915585.db2.gz HSAYYEITCBRPKJ-FQEVSTJZSA-N -1 3 406.486 3.989 40 0 HHABHM Cc1cc(C)c(C(=O)N2[C@@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)c(C)c1 ZINC000071980691 558917578 /nfs/dbraw/zinc/91/75/78/558917578.db2.gz GMHNUDIQMVUCNH-OAQYLSRUSA-N -1 3 422.525 3.530 40 0 HHABHM Cc1cc2cc(NC(=O)CC[C@@]3(c4ccccc4)NC(=O)[N-]C3=O)cc(Cl)c2o1 ZINC000019659867 558951124 /nfs/dbraw/zinc/95/11/24/558951124.db2.gz NNIBJTAWQKVZIX-NRFANRHFSA-N -1 3 411.845 3.848 40 0 HHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102735988 559152314 /nfs/dbraw/zinc/15/23/14/559152314.db2.gz DVBZCJRJEDPHLH-UFYCRDLUSA-N -1 3 405.841 3.786 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)cc1F ZINC000409393525 560719451 /nfs/dbraw/zinc/71/94/51/560719451.db2.gz XLMYNGYMFURDLH-MRVPVSSYSA-N -1 3 409.241 3.577 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)c(C)c2)cc1 ZINC000409387423 560720034 /nfs/dbraw/zinc/72/00/34/560720034.db2.gz QHHDLNURXAQFOU-UHFFFAOYSA-N -1 3 402.516 3.542 40 0 HHABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000103769347 560734615 /nfs/dbraw/zinc/73/46/15/560734615.db2.gz HAOGGYBYGLJRGB-WMZOPIPTSA-N -1 3 416.264 3.625 40 0 HHABHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000103769334 560734683 /nfs/dbraw/zinc/73/46/83/560734683.db2.gz TUDSFKRHGKIRNS-WMZOPIPTSA-N -1 3 416.264 3.625 40 0 HHABHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](c2ccc(Cl)cc2)CC4=O)n1 ZINC000009576346 560759539 /nfs/dbraw/zinc/75/95/39/560759539.db2.gz MAVFPGPHFGMBAO-CQSZACIVSA-N -1 3 419.872 3.687 40 0 HHABHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](c2ccc(Cl)cc2)CC4=O)n1 ZINC000009576347 560759586 /nfs/dbraw/zinc/75/95/86/560759586.db2.gz MAVFPGPHFGMBAO-AWEZNQCLSA-N -1 3 419.872 3.687 40 0 HHABHM CCCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000013083700 560792760 /nfs/dbraw/zinc/79/27/60/560792760.db2.gz RLYBFYYMLMZHGE-GOSISDBHSA-N -1 3 422.533 3.652 40 0 HHABHM COc1ccc([C@@H]2CC(=O)c3c[n-]c4nn(-c5ccccc5)c(=O)c-4c3C2)c(OC)c1 ZINC000014163908 560839623 /nfs/dbraw/zinc/83/96/23/560839623.db2.gz YKKSCUBKVVDOIB-AWEZNQCLSA-N -1 3 415.449 3.644 40 0 HHABHM COc1ccccc1-n1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1[O-] ZINC000018115147 560871129 /nfs/dbraw/zinc/87/11/29/560871129.db2.gz ZPEHRKQVKJECQN-UHFFFAOYSA-N -1 3 424.526 3.753 40 0 HHABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004937767 568425237 /nfs/dbraw/zinc/42/52/37/568425237.db2.gz ABBALDGNDSAVGV-VSKRKVRLSA-N -1 3 400.434 3.746 40 0 HHABHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCCO3)c(Cl)c1Cl ZINC000222677233 568523341 /nfs/dbraw/zinc/52/33/41/568523341.db2.gz NIKSWSLEHRJBNH-SNVBAGLBSA-N -1 3 418.298 3.813 40 0 HHABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1 ZINC000222690367 568523768 /nfs/dbraw/zinc/52/37/68/568523768.db2.gz WLKGMJDVXMYRPF-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc21 ZINC000223264243 568543340 /nfs/dbraw/zinc/54/33/40/568543340.db2.gz FOCHPUDFBIZQQT-UHFFFAOYSA-N -1 3 414.433 3.969 40 0 HHABHM CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3Br)cc2sc1=O ZINC000225687468 568664348 /nfs/dbraw/zinc/66/43/48/568664348.db2.gz QZRBRHDLHPVACL-UHFFFAOYSA-N -1 3 413.318 3.646 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1I ZINC000033546241 568697074 /nfs/dbraw/zinc/69/70/74/568697074.db2.gz FXMZQEHIIFDOTJ-UHFFFAOYSA-N -1 3 417.268 3.717 40 0 HHABHM CC(C)(C)c1ccc(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)c(OCC(=O)[O-])c1 ZINC000257205686 568777784 /nfs/dbraw/zinc/77/77/84/568777784.db2.gz BADKTVIVFBOIPR-RDPSFJRHSA-N -1 3 416.562 3.861 40 0 HHABHM COc1cc(C)c(CN2CCO[C@H](c3cncc([N-]c4ncccn4)n3)C2)c(C)c1C ZINC000257214075 568780185 /nfs/dbraw/zinc/78/01/85/568780185.db2.gz CKKXVLCLNGJOIS-NRFANRHFSA-N -1 3 420.517 3.518 40 0 HHABHM CC(=O)N1CCCC[C@H]2CN(Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC[C@H]21 ZINC000257299255 568804208 /nfs/dbraw/zinc/80/42/08/568804208.db2.gz RPHPSIWFCHFISF-GHTZIAJQSA-N -1 3 416.562 3.670 40 0 HHABHM Cc1ccc(OCC(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1C ZINC000226244200 569278805 /nfs/dbraw/zinc/27/88/05/569278805.db2.gz RIZDOOLNUPRJLI-UHFFFAOYSA-N -1 3 423.332 3.972 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)COc1ccc(C)cc1 ZINC000222556497 569284231 /nfs/dbraw/zinc/28/42/31/569284231.db2.gz SEDRCRKLOWZHDZ-ZDUSSCGKSA-N -1 3 414.321 3.512 40 0 HHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000006352239 569331239 /nfs/dbraw/zinc/33/12/39/569331239.db2.gz FKTFYIFGHJCLOX-KRWDZBQOSA-N -1 3 404.532 3.788 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)N1CCC(C)CC1 ZINC000007363409 569337463 /nfs/dbraw/zinc/33/74/63/569337463.db2.gz SXWYMHMMVPLENO-UHFFFAOYSA-N -1 3 416.543 3.985 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1C ZINC000033469078 569350548 /nfs/dbraw/zinc/35/05/48/569350548.db2.gz XHYFYKCTAXILLA-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM CC(C)(C)c1ccc(C(=O)C[C@@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000002571034 132255584 /nfs/dbraw/zinc/25/55/84/132255584.db2.gz WAPOIDKAIVILIB-NRFANRHFSA-N -1 3 412.505 3.971 40 0 HHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c(Cl)c1 ZINC000040399247 525199721 /nfs/dbraw/zinc/19/97/21/525199721.db2.gz OYHVPUVUXKFRHJ-CYBMUJFWSA-N -1 3 423.860 3.540 40 0 HHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)ccc1OC ZINC000408586521 557492592 /nfs/dbraw/zinc/49/25/92/557492592.db2.gz OSPQMBGTZZCWGR-UHFFFAOYSA-N -1 3 414.867 3.726 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000408605490 557517668 /nfs/dbraw/zinc/51/76/68/557517668.db2.gz KJGFJWAMGXUFKV-CYBMUJFWSA-N -1 3 410.923 3.778 40 0 HHABHM CC1=C(NC(=O)c2cc(-c3ccccc3[O-])on2)[C@@H](C)NN1Cc1ccccc1C ZINC000020418512 558361606 /nfs/dbraw/zinc/36/16/06/558361606.db2.gz OWQDKOUBBXJBBM-OAHLLOKOSA-N -1 3 404.470 3.726 40 0 HHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccn3)cc2Cl)cc1 ZINC000020457938 558371020 /nfs/dbraw/zinc/37/10/20/558371020.db2.gz WGFSEBNKHWYLIF-UHFFFAOYSA-N -1 3 415.902 3.774 40 0 HHABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)CC)cc2)c(Cl)c1 ZINC000020460645 558372884 /nfs/dbraw/zinc/37/28/84/558372884.db2.gz IXZNGLKPBVPKTE-UHFFFAOYSA-N -1 3 410.879 3.531 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(Cl)c1 ZINC000020483441 558375708 /nfs/dbraw/zinc/37/57/08/558375708.db2.gz KNRLVODJWGRSHU-UHFFFAOYSA-N -1 3 406.935 3.806 40 0 HHABHM O=c1cc(-c2ccc(F)cc2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000013611772 558548776 /nfs/dbraw/zinc/54/87/76/558548776.db2.gz HXLBWOKKGFNWKH-UHFFFAOYSA-N -1 3 418.394 3.921 40 0 HHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1OC ZINC000013682609 558567459 /nfs/dbraw/zinc/56/74/59/558567459.db2.gz GXEZDYNJXMZRPA-UHFFFAOYSA-N -1 3 403.287 3.553 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NC1CCCCCC1 ZINC000016490322 558794540 /nfs/dbraw/zinc/79/45/40/558794540.db2.gz SDNFMJRXPWWHFA-UHFFFAOYSA-N -1 3 402.516 3.705 40 0 HHABHM O=C(CC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019014903 558836999 /nfs/dbraw/zinc/83/69/99/558836999.db2.gz WGAMTHSNSZZPBX-SFHVURJKSA-N -1 3 412.578 3.769 40 0 HHABHM C=Cn1ncc(CN2CCC(C[C@@H]3CC(c4ccc(C)cc4)=NO3)(C(=O)[O-])CC2)c1C ZINC000019208845 558847698 /nfs/dbraw/zinc/84/76/98/558847698.db2.gz OFGWXXJVUKNAIU-NRFANRHFSA-N -1 3 422.529 3.851 40 0 HHABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000013689309 558855333 /nfs/dbraw/zinc/85/53/33/558855333.db2.gz RAXYROGTNMRWJD-FKBYEOEOSA-N -1 3 400.434 3.752 40 0 HHABHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000055548862 558882391 /nfs/dbraw/zinc/88/23/91/558882391.db2.gz NPGKNOVJGLGCTR-UHFFFAOYSA-N -1 3 410.495 3.958 40 0 HHABHM COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019554228 558917249 /nfs/dbraw/zinc/91/72/49/558917249.db2.gz JZZWAXJBJBULLG-LJQANCHMSA-N -1 3 409.511 3.803 40 0 HHABHM COc1cccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c1OC ZINC000019567876 558927079 /nfs/dbraw/zinc/92/70/79/558927079.db2.gz BSRFEUVKJLUHBG-LJQANCHMSA-N -1 3 406.486 3.989 40 0 HHABHM COCc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000019579377 558934904 /nfs/dbraw/zinc/93/49/04/558934904.db2.gz WBCWERAKUGSGLP-JOCHJYFZSA-N -1 3 417.509 3.793 40 0 HHABHM COc1cccc(CC(=O)N2CCC[C@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000019579312 558934911 /nfs/dbraw/zinc/93/49/11/558934911.db2.gz UJSWPRZKOOFMKP-QFIPXVFZSA-N -1 3 417.509 3.584 40 0 HHABHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)s1 ZINC000019579280 558934914 /nfs/dbraw/zinc/93/49/14/558934914.db2.gz LWEHMMAFCOELLH-IBGZPJMESA-N -1 3 422.554 3.649 40 0 HHABHM CN1Cc2cccc(-c3cnc4n3CCN(C(=O)c3cc(Cl)ccc3[O-])CC4)c2C1 ZINC000585111128 559031740 /nfs/dbraw/zinc/03/17/40/559031740.db2.gz FPIKVFXHURTYNS-UHFFFAOYSA-N -1 3 422.916 3.553 40 0 HHABHM Cc1cc(Cl)ccc1NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008336304 559276493 /nfs/dbraw/zinc/27/64/93/559276493.db2.gz HDPOSMVBEYJZSQ-UHFFFAOYSA-N -1 3 407.706 3.872 40 0 HHABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000408907435 560652129 /nfs/dbraw/zinc/65/21/29/560652129.db2.gz NXSOJXZJEFIROR-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C(=O)N1CCCCCC1 ZINC000007360825 560750420 /nfs/dbraw/zinc/75/04/20/560750420.db2.gz GXOPLLWYGOCZET-UHFFFAOYSA-N -1 3 402.516 3.821 40 0 HHABHM CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000013083251 560792576 /nfs/dbraw/zinc/79/25/76/560792576.db2.gz JIPQIBBBJYZZSV-UHFFFAOYSA-N -1 3 422.533 3.652 40 0 HHABHM COc1ccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3ccccc3[O-])c2)cc1 ZINC000013996825 560831935 /nfs/dbraw/zinc/83/19/35/560831935.db2.gz GXTZHMRGVNABBH-UHFFFAOYSA-N -1 3 418.496 3.540 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C(=O)N1CCC(C)CC1 ZINC000014396289 560841310 /nfs/dbraw/zinc/84/13/10/560841310.db2.gz URGQFUUQVGJEQJ-UHFFFAOYSA-N -1 3 402.516 3.677 40 0 HHABHM O=C(CN1C(=O)S/C(=C\c2cc(Cl)ccc2[O-])C1=O)Nc1ccc(F)cc1 ZINC000015049449 560852316 /nfs/dbraw/zinc/85/23/16/560852316.db2.gz RGHXNPIRZBWEOP-NVNXTCNLSA-N -1 3 406.822 3.860 40 0 HHABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000005034845 568431520 /nfs/dbraw/zinc/43/15/20/568431520.db2.gz RAXYROGTNMRWJD-BDTNDASRSA-N -1 3 400.434 3.752 40 0 HHABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)N1CCCC1 ZINC000026114978 568540255 /nfs/dbraw/zinc/54/02/55/568540255.db2.gz SJKUDDQRVIVUAZ-UHFFFAOYSA-N -1 3 412.483 3.724 40 0 HHABHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl)oc(=O)n2C ZINC000223336233 568545639 /nfs/dbraw/zinc/54/56/39/568545639.db2.gz YTNDDPBXHINHRH-UHFFFAOYSA-N -1 3 420.796 3.913 40 0 HHABHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)c(Cl)cc21 ZINC000223344529 568545796 /nfs/dbraw/zinc/54/57/96/568545796.db2.gz GWARCFSXCJMKOG-UHFFFAOYSA-N -1 3 407.662 3.893 40 0 HHABHM CCc1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1OC ZINC000223679100 568555924 /nfs/dbraw/zinc/55/59/24/568555924.db2.gz LUAWLYLLFVHGCW-UHFFFAOYSA-N -1 3 417.268 3.663 40 0 HHABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Br)ccc1Cl ZINC000223827296 568560098 /nfs/dbraw/zinc/56/00/98/568560098.db2.gz FNXZWGGAAHWNLT-UHFFFAOYSA-N -1 3 404.669 3.690 40 0 HHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000223905004 568562545 /nfs/dbraw/zinc/56/25/45/568562545.db2.gz AKVYQFLEXQYBGJ-UHFFFAOYSA-N -1 3 402.501 3.527 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000224397383 568580259 /nfs/dbraw/zinc/58/02/59/568580259.db2.gz MNPIVKFLUJLDLE-UHFFFAOYSA-N -1 3 415.902 3.950 40 0 HHABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224524751 568583610 /nfs/dbraw/zinc/58/36/10/568583610.db2.gz JKLPIAXELILCAZ-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224570265 568585744 /nfs/dbraw/zinc/58/57/44/568585744.db2.gz FOHAWGPAEIBAEG-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224573125 568585844 /nfs/dbraw/zinc/58/58/44/568585844.db2.gz SQCYAYLHDPFKOZ-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1C(C)C ZINC000225070362 568612567 /nfs/dbraw/zinc/61/25/67/568612567.db2.gz ZYSBZKPVUBAYOT-UHFFFAOYSA-N -1 3 406.529 3.841 40 0 HHABHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(OC)c(C)c1 ZINC000225429388 568637263 /nfs/dbraw/zinc/63/72/63/568637263.db2.gz NOFSWIDTCFOSDP-KRWDZBQOSA-N -1 3 410.923 3.910 40 0 HHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1 ZINC000225963720 568689409 /nfs/dbraw/zinc/68/94/09/568689409.db2.gz PDXAAFGPDKLWHN-GFCCVEGCSA-N -1 3 423.332 3.802 40 0 HHABHM Cc1cccc(C)c1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000107826492 569352983 /nfs/dbraw/zinc/35/29/83/569352983.db2.gz ZASOYFQBTLHUAM-LBPRGKRZSA-N -1 3 401.315 3.916 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(F)cc1 ZINC000107982088 569353232 /nfs/dbraw/zinc/35/32/32/569353232.db2.gz QZTZXENYDSXVCO-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM COc1cc2c(cc1OC)[C@@H]1C(=O)c3c([O-])cc4c(c3O[C@H]1CO2)C=CC(C)(C)O4 ZINC000001684797 291253767 /nfs/dbraw/zinc/25/37/67/291253767.db2.gz JLTNCZQNGBLBGO-OALUTQOASA-N -1 3 410.422 3.714 40 0 biogenic,in-vitro HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000040400515 525330264 /nfs/dbraw/zinc/33/02/64/525330264.db2.gz MLANXVRKYFXLAN-INIZCTEOSA-N -1 3 417.469 3.503 40 0 HHABHM Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000000909077 557116047 /nfs/dbraw/zinc/11/60/47/557116047.db2.gz ZYSNZAHLHRYOLQ-DAYGRLMNSA-N -1 3 412.795 3.752 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1Cl ZINC000408591995 557504569 /nfs/dbraw/zinc/50/45/69/557504569.db2.gz MYCBEFKWHLHGTC-UHFFFAOYSA-N -1 3 410.923 3.743 40 0 HHABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408592934 557506527 /nfs/dbraw/zinc/50/65/27/557506527.db2.gz KXFCGQCSOAQVCW-CQSZACIVSA-N -1 3 410.923 3.680 40 0 HHABHM CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccccc1[O-])CCCC3 ZINC000408600006 557510379 /nfs/dbraw/zinc/51/03/79/557510379.db2.gz QPUNTNNWFLRFMT-UHFFFAOYSA-N -1 3 415.540 3.793 40 0 HHABHM CSc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c1 ZINC000408612760 557530923 /nfs/dbraw/zinc/53/09/23/557530923.db2.gz YPUFVQNPLUBORS-HNNXBMFYSA-N -1 3 422.572 3.749 40 0 HHABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408675093 557675340 /nfs/dbraw/zinc/67/53/40/557675340.db2.gz GJYNBRFNAYWVDT-CQSZACIVSA-N -1 3 410.923 3.743 40 0 HHABHM CCOc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3cccs3)s2)cc1 ZINC000035312392 557688205 /nfs/dbraw/zinc/68/82/05/557688205.db2.gz AQHADLPUUZSUEQ-UHFFFAOYSA-N -1 3 420.541 3.981 40 0 HHABHM C[C@H]1CCc2c(sc([N-]C(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 ZINC000006202316 557693956 /nfs/dbraw/zinc/69/39/56/557693956.db2.gz DUTLIANFWGFUPY-YFKPBYRVSA-N -1 3 404.360 3.920 40 0 HHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000011024094 558262127 /nfs/dbraw/zinc/26/21/27/558262127.db2.gz BBDZXTPMYXECLD-ZCNNSNEGSA-N -1 3 406.463 3.808 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(F)c(F)c1 ZINC000020019955 558321185 /nfs/dbraw/zinc/32/11/85/558321185.db2.gz GRFBOUDWJMRHKP-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM COc1cccc(CN2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c1OC ZINC000012329996 558384927 /nfs/dbraw/zinc/38/49/27/558384927.db2.gz LCTLBNFMSOWHOF-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM Cc1ccc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(C(C)C)n2)c2ccc(F)cc2)cc1 ZINC000019209938 558848149 /nfs/dbraw/zinc/84/81/49/558848149.db2.gz PQXJWZLVPOKFFK-OAQYLSRUSA-N -1 3 407.489 3.984 40 0 HHABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(NCc4ccccc4F)n3)CC2=O)c1C ZINC000019235595 558854606 /nfs/dbraw/zinc/85/46/06/558854606.db2.gz TURDJLUMTWPIGO-KRWDZBQOSA-N -1 3 406.461 3.658 40 0 HHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccc2C)cc(=O)[n-]1 ZINC000019237100 558856344 /nfs/dbraw/zinc/85/63/44/558856344.db2.gz MZAWXFCHKPKNKT-NRFANRHFSA-N -1 3 400.482 3.511 40 0 HHABHM COc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1OC ZINC000019285163 558859705 /nfs/dbraw/zinc/85/97/05/558859705.db2.gz JRWQONSBUASZPQ-FQEVSTJZSA-N -1 3 418.497 3.650 40 0 HHABHM COc1ccc(Cl)cc1C(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019285376 558859924 /nfs/dbraw/zinc/85/99/24/558859924.db2.gz FADFAMBAMCADIW-GOSISDBHSA-N -1 3 415.852 3.593 40 0 HHABHM Cc1cc(C)c(C(=O)N2[C@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)c(C)c1 ZINC000071980690 558917559 /nfs/dbraw/zinc/91/75/59/558917559.db2.gz GMHNUDIQMVUCNH-NRFANRHFSA-N -1 3 422.525 3.530 40 0 HHABHM Cc1scc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1C ZINC000019561901 558922735 /nfs/dbraw/zinc/92/27/35/558922735.db2.gz GCDSJYRHWVAHLW-LJQANCHMSA-N -1 3 406.511 3.952 40 0 HHABHM CN(C)c1cccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019585047 558938831 /nfs/dbraw/zinc/93/88/31/558938831.db2.gz QSOGCWATNRJMSS-IBGZPJMESA-N -1 3 408.527 3.932 40 0 HHABHM Cc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c(Br)c1 ZINC000016362918 559078787 /nfs/dbraw/zinc/07/87/87/559078787.db2.gz KBLUINDDQOTBDF-QGZVFWFLSA-N -1 3 416.275 3.730 40 0 HHABHM O=C1C[C@H](Sc2nnc(-c3ccccc3[O-])o2)C(=O)N1c1ccc(Cl)cc1 ZINC000100921867 559141739 /nfs/dbraw/zinc/14/17/39/559141739.db2.gz SKGQZFPDAYNMDU-AWEZNQCLSA-N -1 3 401.831 3.520 40 0 HHABHM [O-]c1cc(O)ccc1-c1nc2ccc(Br)cn2c1NC[C@@H]1CCCO1 ZINC000000904255 560544938 /nfs/dbraw/zinc/54/49/38/560544938.db2.gz MBBFPXPYRXMDJE-ZDUSSCGKSA-N -1 3 404.264 3.766 40 0 HHABHM CN(CCc1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccccc2[O-])c1 ZINC000006681036 560634086 /nfs/dbraw/zinc/63/40/86/560634086.db2.gz ZCFRHKSTUBOAJB-UHFFFAOYSA-N -1 3 416.524 3.569 40 0 HHABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1Br)N2 ZINC000409052929 560669587 /nfs/dbraw/zinc/66/95/87/560669587.db2.gz FDUXFMPXUBRGDL-BPYAMOTFSA-N -1 3 405.214 3.948 40 0 HHABHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000409116796 560678980 /nfs/dbraw/zinc/67/89/80/560678980.db2.gz LTGSCIULCKFGJE-UHFFFAOYSA-N -1 3 404.271 3.736 40 0 HHABHM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102727812 560731747 /nfs/dbraw/zinc/73/17/47/560731747.db2.gz DVRPZJPCGJGFTH-BHIFYINESA-N -1 3 418.424 3.885 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)N1CCCCC1 ZINC000007361456 560750435 /nfs/dbraw/zinc/75/04/35/560750435.db2.gz HORZYANHUKHPHO-UHFFFAOYSA-N -1 3 402.516 3.739 40 0 HHABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(Cl)c1 ZINC000033744411 560858567 /nfs/dbraw/zinc/85/85/67/560858567.db2.gz JRAOHOKRSWYKLW-VIFPVBQESA-N -1 3 407.706 3.952 40 0 HHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C)cc1 ZINC000222890264 568529719 /nfs/dbraw/zinc/52/97/19/568529719.db2.gz QHSNVSXNIFXVIR-INIZCTEOSA-N -1 3 416.528 3.528 40 0 HHABHM Cc1ccc(-c2nnc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)s2)cc1 ZINC000223076521 568536652 /nfs/dbraw/zinc/53/66/52/568536652.db2.gz BPVAGBKUEGHJBJ-UHFFFAOYSA-N -1 3 422.919 3.791 40 0 HHABHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)c(Cl)cc21 ZINC000223344457 568545822 /nfs/dbraw/zinc/54/58/22/568545822.db2.gz VRXAKHLQUGXIHL-UHFFFAOYSA-N -1 3 407.662 3.893 40 0 HHABHM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000223633812 568554257 /nfs/dbraw/zinc/55/42/57/568554257.db2.gz KLVLUMSSWGEHPV-UHFFFAOYSA-N -1 3 403.479 3.793 40 0 HHABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 ZINC000224080173 568568895 /nfs/dbraw/zinc/56/88/95/568568895.db2.gz BITNYERYAMYJBJ-UHFFFAOYSA-N -1 3 409.891 3.815 40 0 HHABHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(C(C)(C)C)cc1 ZINC000224765043 568595858 /nfs/dbraw/zinc/59/58/58/568595858.db2.gz XTYIIDMBNCTOMZ-LBPRGKRZSA-N -1 3 424.592 3.860 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc(OC(C)C)c1 ZINC000225358392 568631343 /nfs/dbraw/zinc/63/13/43/568631343.db2.gz ZVXQXNLGEBAYOX-UHFFFAOYSA-N -1 3 414.321 3.723 40 0 HHABHM CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000226084383 568693272 /nfs/dbraw/zinc/69/32/72/568693272.db2.gz YGGNUYPOKXQJKJ-UHFFFAOYSA-N -1 3 410.923 3.682 40 0 HHABHM Cc1ccc(C(C)C)c(OCC(=O)N2NC(C(F)(F)F)=C[C@]2([O-])C(F)(F)F)c1 ZINC000059192157 568702112 /nfs/dbraw/zinc/70/21/12/568702112.db2.gz AFSNTWIZWPYHJK-HNNXBMFYSA-N -1 3 412.330 3.899 40 0 HHABHM Cc1ccc(C(C)C)c(OCC(=O)N2NC(C(F)(F)F)=C[C@@]2([O-])C(F)(F)F)c1 ZINC000059192152 568702247 /nfs/dbraw/zinc/70/22/47/568702247.db2.gz AFSNTWIZWPYHJK-OAHLLOKOSA-N -1 3 412.330 3.899 40 0 HHABHM O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1cc(Cl)ccc1[O-] ZINC000016920787 569047132 /nfs/dbraw/zinc/04/71/32/569047132.db2.gz XUBCTMSQBRKAED-CHHVJCJISA-N -1 3 406.822 3.860 40 0 HHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)c1 ZINC000006023999 569329293 /nfs/dbraw/zinc/32/92/93/569329293.db2.gz GWNDIWYHQNXLTP-UHFFFAOYSA-N -1 3 402.516 3.542 40 0 HHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)c1 ZINC000006416039 569331984 /nfs/dbraw/zinc/33/19/84/569331984.db2.gz DVZWXVRKRLMRNS-UHFFFAOYSA-N -1 3 404.532 3.645 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(=O)N1CCCC1 ZINC000007361361 569337308 /nfs/dbraw/zinc/33/73/08/569337308.db2.gz DQTFPBIYJZRRQF-UHFFFAOYSA-N -1 3 402.516 3.657 40 0 HHABHM Cc1cnc([N-]c2nccnc2[C@@H]2CCCN2C(=O)/C=C/c2csc(C)n2)s1 ZINC000585291433 571309444 /nfs/dbraw/zinc/30/94/44/571309444.db2.gz OTUUHEXWWILSOB-NFAHFFEMSA-N -1 3 412.544 4.127 40 0 HHABHM Cc1ccc(Cn2cc(Br)c([N-]S(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000014235498 962451743 /nfs/dbraw/zinc/45/17/43/962451743.db2.gz MGVKXYINXVTLBT-UHFFFAOYSA-N -1 3 420.332 3.944 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2Br)c1 ZINC000044905058 525219030 /nfs/dbraw/zinc/21/90/30/525219030.db2.gz UMRUDBVXQRZHOB-UHFFFAOYSA-N -1 3 403.685 3.726 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000040400381 525328897 /nfs/dbraw/zinc/32/88/97/525328897.db2.gz KKDQDBHFOJCYEI-MRXNPFEDSA-N -1 3 417.469 3.503 40 0 HHABHM Cc1ccc(C([O-])=C2[C@H](c3ccc(Cl)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000000913054 557116964 /nfs/dbraw/zinc/11/69/64/557116964.db2.gz UOSHCSGYPPXMJU-VKJFTORMSA-N -1 3 412.795 3.752 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)c(Cl)c2)cc1 ZINC000408584789 557487954 /nfs/dbraw/zinc/48/79/54/557487954.db2.gz VBKRBLCHNOBLPG-UHFFFAOYSA-N -1 3 410.923 3.743 40 0 HHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 ZINC000408592045 557504733 /nfs/dbraw/zinc/50/47/33/557504733.db2.gz NJVQFRJKHVLJSL-UHFFFAOYSA-N -1 3 403.504 3.904 40 0 HHABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)NC1CCCCC1 ZINC000408610086 557533508 /nfs/dbraw/zinc/53/35/08/557533508.db2.gz NNRDYDFTUDLOLQ-HNNXBMFYSA-N -1 3 420.506 3.843 40 0 HHABHM COc1ccc2[nH]c(CN3CCc4nc(-c5ccccn5)[n-]c(=O)c4C3)c(C)c2c1 ZINC000012122455 558330767 /nfs/dbraw/zinc/33/07/67/558330767.db2.gz AZBXNGSSAVMZNP-UHFFFAOYSA-N -1 3 401.470 3.601 40 0 HHABHM Cc1cccc(CSCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000020487156 558376657 /nfs/dbraw/zinc/37/66/57/558376657.db2.gz PXXUWLHVQBCSGE-UHFFFAOYSA-N -1 3 412.964 3.683 40 0 HHABHM Cc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000013427025 558532592 /nfs/dbraw/zinc/53/25/92/558532592.db2.gz ZYSNZAHLHRYOLQ-HDMKZQKVSA-N -1 3 412.795 3.752 40 0 HHABHM Cc1nnc(SCc2cc(=O)[n-]c(NC(=N)Nc3ccc(C(C)C)cc3)n2)s1 ZINC000013634046 558553009 /nfs/dbraw/zinc/55/30/09/558553009.db2.gz MCMMDSXXNRYIAP-UHFFFAOYSA-N -1 3 415.548 3.804 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccccc1F ZINC000016490494 558794552 /nfs/dbraw/zinc/79/45/52/558794552.db2.gz HSCOBBLFZHOSNF-UHFFFAOYSA-N -1 3 400.431 3.644 40 0 HHABHM Cc1nc(C[C@@H](NC(=O)c2cc(C(C)C)no2)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000019285319 558859764 /nfs/dbraw/zinc/85/97/64/558859764.db2.gz IGSNOMJKAVFPKX-QGZVFWFLSA-N -1 3 400.866 3.557 40 0 HHABHM COc1ccccc1C(=O)N[C@H](Cc1cc(=O)[n-]c(C(C)C)n1)c1ccc(F)cc1 ZINC000019453532 558890921 /nfs/dbraw/zinc/89/09/21/558890921.db2.gz PQHDVDJCZSBTBJ-LJQANCHMSA-N -1 3 409.461 3.755 40 0 HHABHM CCOc1cc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)ccc1OC ZINC000019532021 558912321 /nfs/dbraw/zinc/91/23/21/558912321.db2.gz IUTBAPCAMNIWQK-HXUWFJFHSA-N -1 3 420.513 3.966 40 0 HHABHM COc1ccccc1CN[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019570838 558929536 /nfs/dbraw/zinc/92/95/36/558929536.db2.gz WMIAJKFPHHEPMN-QFIPXVFZSA-N -1 3 412.493 3.914 40 0 HHABHM COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000019579325 558934943 /nfs/dbraw/zinc/93/49/43/558934943.db2.gz FZWKWWKWJZWBPC-NRFANRHFSA-N -1 3 417.509 3.584 40 0 HHABHM CN(C)c1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019584935 558938862 /nfs/dbraw/zinc/93/88/62/558938862.db2.gz OQOKFLJGONDPQH-FQEVSTJZSA-N -1 3 422.554 3.861 40 0 HHABHM COCCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)cc1 ZINC000019593715 558944757 /nfs/dbraw/zinc/94/47/57/558944757.db2.gz CUSHBVMKFQNDLK-QFIPXVFZSA-N -1 3 420.513 3.584 40 0 HHABHM C[C@H](c1cc(=O)[n-]c(N[C@@H]2CCCc3ccccc32)n1)n1ncc2ccccc2c1=O ZINC000019717932 558980876 /nfs/dbraw/zinc/98/08/76/558980876.db2.gz DRFRBNPZURNXMZ-FOIQADDNSA-N -1 3 413.481 3.579 40 0 HHABHM COc1cccc(CN[C@H](c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)C(C)C)c1 ZINC000100769453 559140147 /nfs/dbraw/zinc/14/01/47/559140147.db2.gz AVWCPXCNMSYCDU-QHCPKHFHSA-N -1 3 410.518 3.824 40 0 HHABHM O=C1[N-]C(=O)c2cc(S(=O)(=O)Oc3ccc4ccccc4c3)cc3cccc1c32 ZINC000011691557 559182238 /nfs/dbraw/zinc/18/22/38/559182238.db2.gz MHDOGQBLHCKCTH-UHFFFAOYSA-N -1 3 403.415 3.644 40 0 HHABHM CCc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000006356336 560558170 /nfs/dbraw/zinc/55/81/70/560558170.db2.gz CMQKVNGXBJDBNQ-HLIPFELVSA-N -1 3 406.404 3.661 40 0 HHABHM COc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000409169202 560686484 /nfs/dbraw/zinc/68/64/84/560686484.db2.gz VNARYQWZNCKQOQ-UHFFFAOYSA-N -1 3 423.705 3.572 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1C ZINC000006213964 560740394 /nfs/dbraw/zinc/74/03/94/560740394.db2.gz HBISBZJRYRTQSY-UHFFFAOYSA-N -1 3 416.543 3.932 40 0 HHABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000106710790 560745665 /nfs/dbraw/zinc/74/56/65/560745665.db2.gz DDUIJWCBHXSETR-DHDCSXOGSA-N -1 3 418.858 3.729 40 0 HHABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100722333 560850753 /nfs/dbraw/zinc/85/07/53/560850753.db2.gz AJAPTWKTHVPRHV-BHIFYINESA-N -1 3 418.424 3.885 40 0 HHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCOC(C)C)cc2Cl)cc1 ZINC000216352407 568464628 /nfs/dbraw/zinc/46/46/28/568464628.db2.gz XTUSZVHSHCHLMR-UHFFFAOYSA-N -1 3 424.950 3.994 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCCC3)ccc2C)cc1 ZINC000224055831 568568055 /nfs/dbraw/zinc/56/80/55/568568055.db2.gz UVMHGIBPSWUJHG-UHFFFAOYSA-N -1 3 402.516 3.867 40 0 HHABHM O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224572667 568585753 /nfs/dbraw/zinc/58/57/53/568585753.db2.gz QXXOHZUUSANGGH-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000225821229 568677477 /nfs/dbraw/zinc/67/74/77/568677477.db2.gz YVLNVIBGNNCCRF-UHFFFAOYSA-N -1 3 400.500 3.574 40 0 HHABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 ZINC000260927154 568744788 /nfs/dbraw/zinc/74/47/88/568744788.db2.gz YLPCQPZNYUQVLJ-NPFVIJTESA-N -1 3 420.538 3.945 40 0 HHABHM CCN(CC)c1ccc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)c([O-])c1 ZINC000257342427 568816876 /nfs/dbraw/zinc/81/68/76/568816876.db2.gz ZOOCGJKZTOGBHD-YMPZKCBVSA-N -1 3 412.530 3.719 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)COc1ccc(C)cc1 ZINC000222556558 569284233 /nfs/dbraw/zinc/28/42/33/569284233.db2.gz SEDRCRKLOWZHDZ-CYBMUJFWSA-N -1 3 414.321 3.512 40 0 HHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000006415666 569331987 /nfs/dbraw/zinc/33/19/87/569331987.db2.gz CMNILPPKQHTFLD-MRXNPFEDSA-N -1 3 420.531 3.570 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)c(C)c2)cc1C ZINC000007362143 569337487 /nfs/dbraw/zinc/33/74/87/569337487.db2.gz PWPWSIOVEFXDJR-UHFFFAOYSA-N -1 3 416.543 3.804 40 0 HHABHM Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399233 524752482 /nfs/dbraw/zinc/75/24/82/524752482.db2.gz OKTNPRQXILSHBB-CQSZACIVSA-N -1 3 423.860 3.540 40 0 HHABHM COc1ccc(OCC(=O)Nc2cc(C)c([O-])c(-c3nc4ncccc4o3)c2)cc1 ZINC000030829355 524936400 /nfs/dbraw/zinc/93/64/00/524936400.db2.gz OWMXXGNKZOTUJS-UHFFFAOYSA-N -1 3 405.410 3.930 40 0 HHABHM Cc1ccccc1CSCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000020483781 525183814 /nfs/dbraw/zinc/18/38/14/525183814.db2.gz AVAAICKWFLZECT-UHFFFAOYSA-N -1 3 412.964 3.683 40 0 HHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)cc1 ZINC000040399340 525219208 /nfs/dbraw/zinc/21/92/08/525219208.db2.gz IZZMFWVWBWTCTF-HNNXBMFYSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1c(Cl)cccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399238 525777426 /nfs/dbraw/zinc/77/74/26/525777426.db2.gz ARNGSAIVRZNLBN-ZDUSSCGKSA-N -1 3 423.860 3.540 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1I ZINC000034828308 557018093 /nfs/dbraw/zinc/01/80/93/557018093.db2.gz IMLRADARMRJMPT-UHFFFAOYSA-N -1 3 417.268 3.717 40 0 HHABHM Cc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1 ZINC000408542200 557360190 /nfs/dbraw/zinc/36/01/90/557360190.db2.gz HRBPABSRHNGABC-UHFFFAOYSA-N -1 3 419.304 3.979 40 0 HHABHM Cc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)cc1 ZINC000408542200 557360195 /nfs/dbraw/zinc/36/01/95/557360195.db2.gz HRBPABSRHNGABC-UHFFFAOYSA-N -1 3 419.304 3.979 40 0 HHABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408563346 557463333 /nfs/dbraw/zinc/46/33/33/557463333.db2.gz VJYXMEOCYKRRPH-UHFFFAOYSA-N -1 3 414.886 3.575 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000408609433 557532695 /nfs/dbraw/zinc/53/26/95/557532695.db2.gz RHTJHHNWSFAPPN-LLVKDONJSA-N -1 3 417.314 3.616 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCC(C)C ZINC000408676322 557683029 /nfs/dbraw/zinc/68/30/29/557683029.db2.gz NBSZDZVAYXVDJW-UHFFFAOYSA-N -1 3 410.923 3.600 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N1CCC(C)CC1 ZINC000408678605 557684969 /nfs/dbraw/zinc/68/49/69/557684969.db2.gz TXELXHYORLAWED-UHFFFAOYSA-N -1 3 420.506 3.572 40 0 HHABHM O=C(CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1)Nc1ccccc1F ZINC000035313052 557688734 /nfs/dbraw/zinc/68/87/34/557688734.db2.gz FPIIZRVHKLVJEX-UHFFFAOYSA-N -1 3 424.429 3.939 40 0 HHABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000007708536 557757241 /nfs/dbraw/zinc/75/72/41/557757241.db2.gz ABLMFUKBSMBHJJ-UHFFFAOYSA-N -1 3 413.268 3.516 40 0 HHABHM COc1ccc(CN2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)c(OC)c1 ZINC000012234347 558358518 /nfs/dbraw/zinc/35/85/18/558358518.db2.gz YYEHPYUUTVFPOE-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1Cl ZINC000020490147 558377676 /nfs/dbraw/zinc/37/76/76/558377676.db2.gz XRSMTAQEKTZEPY-UHFFFAOYSA-N -1 3 419.355 3.887 40 0 HHABHM Cc1cc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1cccnc1 ZINC000016790270 558807272 /nfs/dbraw/zinc/80/72/72/558807272.db2.gz NYNQZTUXLJCRKX-UHFFFAOYSA-N -1 3 404.253 3.865 40 0 HHABHM COc1cccc(CNc2nc([C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[n-]2)c1 ZINC000019235591 558854592 /nfs/dbraw/zinc/85/45/92/558854592.db2.gz VUBFIOMSIGVFCG-GOSISDBHSA-N -1 3 418.497 3.528 40 0 HHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Cc2cccs2)cc(=O)[n-]1 ZINC000019240940 558859349 /nfs/dbraw/zinc/85/93/49/558859349.db2.gz UABQTVWAERHPKC-XOBRGWDASA-N -1 3 420.538 3.900 40 0 HHABHM O=C(Cc1ccccc1F)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369333 558877901 /nfs/dbraw/zinc/87/79/01/558877901.db2.gz MOMLRDIVHNOFKS-NRFANRHFSA-N -1 3 405.473 3.819 40 0 HHABHM O=C1C[C@H](c2cc(=O)[n-]c(NCc3ccc(Cl)cc3)n2)CN1Cc1ccccc1 ZINC000019371673 558879167 /nfs/dbraw/zinc/87/91/67/558879167.db2.gz WCMUZPLLVOEVCN-KRWDZBQOSA-N -1 3 408.889 3.552 40 0 HHABHM CCOc1cc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)ccc1OC ZINC000019532005 558912112 /nfs/dbraw/zinc/91/21/12/558912112.db2.gz CGZLSGUBCUINND-LJQANCHMSA-N -1 3 420.513 3.619 40 0 HHABHM COc1ccc([C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)NC(=O)c2ccccc2)cc1 ZINC000019553297 558916603 /nfs/dbraw/zinc/91/66/03/558916603.db2.gz RHUNENWCBYQLLX-OAQYLSRUSA-N -1 3 403.482 3.760 40 0 HHABHM COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1OC ZINC000019561034 558921923 /nfs/dbraw/zinc/92/19/23/558921923.db2.gz BAAAUMJTOXQSSL-LJQANCHMSA-N -1 3 406.486 3.989 40 0 HHABHM COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1OC ZINC000019561028 558922010 /nfs/dbraw/zinc/92/20/10/558922010.db2.gz PBTIEZRENFXAJL-LJQANCHMSA-N -1 3 406.486 3.989 40 0 HHABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)cc1 ZINC000059132903 558932239 /nfs/dbraw/zinc/93/22/39/558932239.db2.gz OBZQCQPUTGWRGH-UHFFFAOYSA-N -1 3 416.524 3.738 40 0 HHABHM Cc1onc(C(C)C)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019579579 558935106 /nfs/dbraw/zinc/93/51/06/558935106.db2.gz JRSNWNCBXHHNBH-SFHVURJKSA-N -1 3 419.485 3.693 40 0 HHABHM CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000072399115 558976460 /nfs/dbraw/zinc/97/64/60/558976460.db2.gz HDBGDLYGPLDCSN-GOSISDBHSA-N -1 3 400.548 3.656 40 0 HHABHM COc1ccc(CN[C@@H](c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)C(C)C)cc1 ZINC000100769452 559140129 /nfs/dbraw/zinc/14/01/29/559140129.db2.gz WZYLYOBTJNKEPC-HSZRJFAPSA-N -1 3 410.518 3.824 40 0 HHABHM CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1[O-] ZINC000409200287 560692604 /nfs/dbraw/zinc/69/26/04/560692604.db2.gz REMFPZIIEKLZTK-OQLLNIDSSA-N -1 3 417.259 3.646 40 0 HHABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000409392612 560719153 /nfs/dbraw/zinc/71/91/53/560719153.db2.gz SBAUNEWVVQMTST-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM CCOc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409388787 560720299 /nfs/dbraw/zinc/72/02/99/560720299.db2.gz FGVRLDCLMPHBBK-NSHDSACASA-N -1 3 417.314 3.698 40 0 HHABHM CCn1c(SCC(=O)Nc2ccc(Cl)cc2[O-])nnc1-c1ccccc1O ZINC000409412554 560722988 /nfs/dbraw/zinc/72/29/88/560722988.db2.gz XKFIWMOPSIDPLX-UHFFFAOYSA-N -1 3 404.879 3.760 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000008202736 560753286 /nfs/dbraw/zinc/75/32/86/560753286.db2.gz GZRVBPQUMSAMGV-UHFFFAOYSA-N -1 3 402.516 3.867 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCCCC1 ZINC000008405183 560754634 /nfs/dbraw/zinc/75/46/34/560754634.db2.gz XLRMITCQOZOPNA-UHFFFAOYSA-N -1 3 406.479 3.651 40 0 HHABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c1 ZINC000100634973 560850778 /nfs/dbraw/zinc/85/07/78/560850778.db2.gz CXQYYROFFWGQCQ-AABGKKOBSA-N -1 3 406.463 3.808 40 0 HHABHM COc1ccc(F)cc1S(=O)(=O)[N-]CCCNc1ccnc2cc(Cl)ccc21 ZINC000223024773 568534725 /nfs/dbraw/zinc/53/47/25/568534725.db2.gz OJGXSDRPFHTGAF-UHFFFAOYSA-N -1 3 423.897 3.816 40 0 HHABHM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000223318266 568545092 /nfs/dbraw/zinc/54/50/92/568545092.db2.gz XRMYHJKGYKCNQT-UHFFFAOYSA-N -1 3 406.769 3.903 40 0 HHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1OC ZINC000223785301 568559034 /nfs/dbraw/zinc/55/90/34/568559034.db2.gz FYNYJEASJDASAY-UHFFFAOYSA-N -1 3 418.515 3.567 40 0 HHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(C)c(C)c1 ZINC000224531402 568583871 /nfs/dbraw/zinc/58/38/71/568583871.db2.gz NGTFCTQUSXOKCR-AWEZNQCLSA-N -1 3 410.565 3.569 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000224881023 568601992 /nfs/dbraw/zinc/60/19/92/568601992.db2.gz ZRRLCFNLQCEASE-UHFFFAOYSA-N -1 3 408.785 3.862 40 0 HHABHM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)cc3)cc2sc1=O ZINC000224939429 568604875 /nfs/dbraw/zinc/60/48/75/568604875.db2.gz WVEVLOMZUWOONI-UHFFFAOYSA-N -1 3 417.556 3.874 40 0 HHABHM Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1[N-]S(C)(=O)=O ZINC000225763143 568672188 /nfs/dbraw/zinc/67/21/88/568672188.db2.gz YDNRLHZIRPAVPE-UHFFFAOYSA-N -1 3 422.919 3.791 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)COc1ccccc1C ZINC000225841365 568679829 /nfs/dbraw/zinc/67/98/29/568679829.db2.gz JSQLRDONCUBCBJ-CYBMUJFWSA-N -1 3 414.321 3.512 40 0 HHABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000253572672 569318077 /nfs/dbraw/zinc/31/80/77/569318077.db2.gz QLTSFQSGMBTDJL-SJORKVTESA-N -1 3 423.517 3.578 40 0 HHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 ZINC000006707012 569334553 /nfs/dbraw/zinc/33/45/53/569334553.db2.gz JBKGUNRPJZSAOQ-UHFFFAOYSA-N -1 3 416.543 3.932 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000007363423 569337490 /nfs/dbraw/zinc/33/74/90/569337490.db2.gz QAOANVBFSPKTAK-UHFFFAOYSA-N -1 3 416.543 3.985 40 0 HHABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cccc(F)c1 ZINC000038182480 569351765 /nfs/dbraw/zinc/35/17/65/569351765.db2.gz UKTCEDLKEGRJAK-UHFFFAOYSA-N -1 3 423.267 3.810 40 0 HHABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cccc(F)c1 ZINC000038182480 569351766 /nfs/dbraw/zinc/35/17/66/569351766.db2.gz UKTCEDLKEGRJAK-UHFFFAOYSA-N -1 3 423.267 3.810 40 0 HHABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000108993571 569353740 /nfs/dbraw/zinc/35/37/40/569353740.db2.gz GWXHODGUIDWJTR-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000210813061 569355979 /nfs/dbraw/zinc/35/59/79/569355979.db2.gz RVWSSPBDRROKDS-CXUHLZMHSA-N -1 3 418.858 3.729 40 0 HHABHM CC(C)OCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044848649 519764279 /nfs/dbraw/zinc/76/42/79/519764279.db2.gz AUAXESYMGACJMK-UHFFFAOYSA-N -1 3 410.923 3.686 40 0 HHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1Cl ZINC000040399236 525219396 /nfs/dbraw/zinc/21/93/96/525219396.db2.gz HQCILGFGJRPLET-AWEZNQCLSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccnc3)cc2Cl)cc1 ZINC000044903651 525601612 /nfs/dbraw/zinc/60/16/12/525601612.db2.gz LHRLVIIVTINQPY-UHFFFAOYSA-N -1 3 415.902 3.774 40 0 HHABHM CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562906 557462077 /nfs/dbraw/zinc/46/20/77/557462077.db2.gz SFSSENVPYIXRRO-UHFFFAOYSA-N -1 3 414.886 3.573 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)C)c(Cl)c2)cc1 ZINC000408583344 557481677 /nfs/dbraw/zinc/48/16/77/557481677.db2.gz HQPRMJJIEJSIES-UHFFFAOYSA-N -1 3 410.923 3.600 40 0 HHABHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408590979 557503190 /nfs/dbraw/zinc/50/31/90/557503190.db2.gz HOFHWJAWNFEANU-HNNXBMFYSA-N -1 3 424.950 3.989 40 0 HHABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)c(C)c1 ZINC000408593221 557507024 /nfs/dbraw/zinc/50/70/24/557507024.db2.gz PQOLVBGMIQGUMS-QGZVFWFLSA-N -1 3 404.532 3.705 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000408606971 557518759 /nfs/dbraw/zinc/51/87/59/557518759.db2.gz MTKBQILRMIVZTD-ZDUSSCGKSA-N -1 3 418.902 3.807 40 0 HHABHM CCc1cccc(C)c1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408607026 557519049 /nfs/dbraw/zinc/51/90/49/557519049.db2.gz MUXYRLALIWCYOG-CYBMUJFWSA-N -1 3 410.923 3.525 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCCC(C)C ZINC000408675580 557677886 /nfs/dbraw/zinc/67/78/86/557677886.db2.gz JEHCHKUJFWEERK-UHFFFAOYSA-N -1 3 424.950 3.990 40 0 HHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000408701971 557725458 /nfs/dbraw/zinc/72/54/58/557725458.db2.gz IJIUJNAATHPWAX-UHFFFAOYSA-N -1 3 401.257 3.602 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1 ZINC000408712966 557744509 /nfs/dbraw/zinc/74/45/09/557744509.db2.gz DNMMQMGZYKRAIY-UHFFFAOYSA-N -1 3 416.524 3.947 40 0 HHABHM CCOc1cc(CN2CC[C@H](c3cc4nc(C)c(CC)c(=O)n4[n-]3)C2)ccc1OC ZINC000012276382 558364241 /nfs/dbraw/zinc/36/42/41/558364241.db2.gz SWZFHOMWXQLCPW-KRWDZBQOSA-N -1 3 410.518 3.703 40 0 HHABHM COc1ccccc1N1CCN(c2nc(-c3ccc4ccccc4c3)cc(=O)[n-]2)CC1 ZINC000013611418 558548586 /nfs/dbraw/zinc/54/85/86/558548586.db2.gz PLWYABRTIRCXAC-UHFFFAOYSA-N -1 3 412.493 3.925 40 0 HHABHM COc1ccccc1N1CCN(c2nc(C)c(Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000013611446 558548782 /nfs/dbraw/zinc/54/87/82/558548782.db2.gz RYNWLYSJGFGKQL-UHFFFAOYSA-N -1 3 424.932 3.658 40 0 HHABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000016322327 558786424 /nfs/dbraw/zinc/78/64/24/558786424.db2.gz MBWLFFWPDUUOCU-MRXNPFEDSA-N -1 3 402.516 3.704 40 0 HHABHM O=C(CC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019014901 558837042 /nfs/dbraw/zinc/83/70/42/558837042.db2.gz WGAMTHSNSZZPBX-GOSISDBHSA-N -1 3 412.578 3.769 40 0 HHABHM O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019370213 558878350 /nfs/dbraw/zinc/87/83/50/558878350.db2.gz KMBYROMYCPWRFP-QFIPXVFZSA-N -1 3 420.557 3.779 40 0 HHABHM CC(C)c1nc(C[C@@H](NC(=O)Cc2ccc(F)cc2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453494 558890794 /nfs/dbraw/zinc/89/07/94/558890794.db2.gz LCUKBIZFCTUUIF-HXUWFJFHSA-N -1 3 411.452 3.814 40 0 HHABHM COc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C(C)C)n1)c1ccc(F)cc1 ZINC000019453530 558890960 /nfs/dbraw/zinc/89/09/60/558890960.db2.gz PQHDVDJCZSBTBJ-IBGZPJMESA-N -1 3 409.461 3.755 40 0 HHABHM COc1ccc(OC)c(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c1 ZINC000019551545 558915637 /nfs/dbraw/zinc/91/56/37/558915637.db2.gz YVEMGSYFBZKYSB-HXUWFJFHSA-N -1 3 406.486 3.989 40 0 HHABHM COc1ccc(CCC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)cc1 ZINC000019554505 558917504 /nfs/dbraw/zinc/91/75/04/558917504.db2.gz KKTTYPXRKPSGEH-UHFFFAOYSA-N -1 3 423.538 3.846 40 0 HHABHM Cc1c2ccccc2oc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)C)C2 ZINC000019566139 558925963 /nfs/dbraw/zinc/92/59/63/558925963.db2.gz JWLJACTWYDNKSJ-IBGZPJMESA-N -1 3 420.513 3.981 40 0 HHABHM CCC(CC)C(=O)N1CCc2nc3cc([C@H]4CCCCN4C(C)C)[n-]n3c(=O)c2C1 ZINC000100233733 559132751 /nfs/dbraw/zinc/13/27/51/559132751.db2.gz HGDSHPMVJQOJJF-HXUWFJFHSA-N -1 3 413.566 3.691 40 0 HHABHM O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12)c1ccc2ccccc2c1 ZINC000100354572 559134314 /nfs/dbraw/zinc/13/43/14/559134314.db2.gz OHFWARQRGYXMPA-XLIONFOSSA-N -1 3 404.809 3.620 40 0 HHABHM COc1cccc(CN[C@@H](c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)C(C)C)c1 ZINC000100769455 559140163 /nfs/dbraw/zinc/14/01/63/559140163.db2.gz AVWCPXCNMSYCDU-HSZRJFAPSA-N -1 3 410.518 3.824 40 0 HHABHM CC(C)(C)c1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)no1 ZINC000006680807 560633986 /nfs/dbraw/zinc/63/39/86/560633986.db2.gz CLASWHLICHGSIH-UHFFFAOYSA-N -1 3 411.549 3.851 40 0 HHABHM CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1[O-] ZINC000409076543 560673058 /nfs/dbraw/zinc/67/30/58/560673058.db2.gz BHYPKGKGXLYUCR-ZROIWOOFSA-N -1 3 409.280 3.779 40 0 HHABHM Cc1cc(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000409172405 560686663 /nfs/dbraw/zinc/68/66/63/560686663.db2.gz HIVXLNZHAGTALX-ANTHHZPCSA-N -1 3 404.816 3.913 40 0 HHABHM CCC[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102724246 560731587 /nfs/dbraw/zinc/73/15/87/560731587.db2.gz QHTHISMPQZWDSL-RCCFBDPRSA-N -1 3 415.287 3.928 40 0 HHABHM O=c1c2c3c(c[n-]c-2nn1-c1nc2ccccc2s1)C(=O)C[C@@H](c1ccco1)C3 ZINC000014163952 560839649 /nfs/dbraw/zinc/83/96/49/560839649.db2.gz WRUCSPQKGFGMIG-NSHDSACASA-N -1 3 402.435 3.829 40 0 HHABHM CC1(C)C[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c2ccccc2O1 ZINC000219286080 568488917 /nfs/dbraw/zinc/48/89/17/568488917.db2.gz NMENOQFGHQDJFH-INIZCTEOSA-N -1 3 408.907 3.744 40 0 HHABHM CN(C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1 ZINC000222678534 568523366 /nfs/dbraw/zinc/52/33/66/568523366.db2.gz BELNYQUAOTXKFY-UHFFFAOYSA-N -1 3 414.458 3.668 40 0 HHABHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCCO3)c(Cl)c1Cl ZINC000222677180 568523395 /nfs/dbraw/zinc/52/33/95/568523395.db2.gz NIKSWSLEHRJBNH-JTQLQIEISA-N -1 3 418.298 3.813 40 0 HHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3noc(C(C)C)n3)cc2)cc1 ZINC000223002577 568533949 /nfs/dbraw/zinc/53/39/49/568533949.db2.gz WDBRBLHWVZVAEV-UHFFFAOYSA-N -1 3 401.488 3.983 40 0 HHABHM COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C(C)C ZINC000223300388 568544479 /nfs/dbraw/zinc/54/44/79/568544479.db2.gz JCYAKGBHSQOQNA-OAHLLOKOSA-N -1 3 404.532 3.990 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCOc2ccc3ccccc3c2)c(Cl)c1 ZINC000223621162 568553643 /nfs/dbraw/zinc/55/36/43/568553643.db2.gz NVRATYSHOAURHF-UHFFFAOYSA-N -1 3 418.902 3.674 40 0 HHABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224531663 568583900 /nfs/dbraw/zinc/58/39/00/568583900.db2.gz CZTSKONDBZNWPC-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1 ZINC000224542411 568584356 /nfs/dbraw/zinc/58/43/56/568584356.db2.gz VYNYYLYVMIJTSS-OAQYLSRUSA-N -1 3 424.478 3.574 40 0 HHABHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000224549571 568584577 /nfs/dbraw/zinc/58/45/77/568584577.db2.gz UYEUZNCCCVBXQE-UHFFFAOYSA-N -1 3 420.487 3.568 40 0 HHABHM COc1cccc2c1OC(C)(C)[C@H]1CC3(CN(C(=O)c4ccc([O-])cc4)C3)CO[C@H]21 ZINC000257207527 568778382 /nfs/dbraw/zinc/77/83/82/568778382.db2.gz BIDZTUZKAOIQKD-AZUAARDMSA-N -1 3 409.482 3.792 40 0 HHABHM Cc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)[n-]c(=O)n1 ZINC000257338822 568815539 /nfs/dbraw/zinc/81/55/39/568815539.db2.gz YZBPYVXROXXTBV-OAHLLOKOSA-N -1 3 412.877 3.743 40 0 HHABHM COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000016920688 569047115 /nfs/dbraw/zinc/04/71/15/569047115.db2.gz XIPZEVGWTIVIQS-PXNMLYILSA-N -1 3 418.858 3.729 40 0 HHABHM CO[C@@H]1CCC[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)C1 ZINC000247979399 569316035 /nfs/dbraw/zinc/31/60/35/569316035.db2.gz WMHKQPFECQSXQT-WRWLIDTKSA-N -1 3 408.502 3.577 40 0 HHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 ZINC000007360382 569337163 /nfs/dbraw/zinc/33/71/63/569337163.db2.gz IXBPTQANZZCYNE-UHFFFAOYSA-N -1 3 402.516 3.821 40 0 HHABHM COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c([O-])c(OC)c3)C2=O)o1 ZINC000033616222 569350708 /nfs/dbraw/zinc/35/07/08/569350708.db2.gz CVUYLGGGSRUOMV-VGOFMYFVSA-N -1 3 423.830 3.670 40 0 HHABHM Cc1cnc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3ccccc3)CC2)s1 ZINC000585291668 571309384 /nfs/dbraw/zinc/30/93/84/571309384.db2.gz FAHAILFBMHEODX-BQYQJAHWSA-N -1 3 405.527 4.405 40 0 HHABHM Cc1nc(-c2c(-c3ccc4c(c3[O-])OCCO4)nc(N)nc2C(F)(F)F)cs1 ZINC000006239008 960872802 /nfs/dbraw/zinc/87/28/02/960872802.db2.gz XHKMIUMULIVVKO-UHFFFAOYSA-N -1 3 410.377 3.653 40 0 HHABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)c1 ZINC000040399342 524654229 /nfs/dbraw/zinc/65/42/29/524654229.db2.gz NJHNPJGHXRPSNS-HNNXBMFYSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC000408589903 557499566 /nfs/dbraw/zinc/49/95/66/557499566.db2.gz GJLMWAGSEDBDPG-UHFFFAOYSA-N -1 3 422.934 3.841 40 0 HHABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408598230 557508602 /nfs/dbraw/zinc/50/86/02/557508602.db2.gz YGYPSHAKXSCGKF-INIZCTEOSA-N -1 3 404.532 3.589 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1Cl ZINC000408597228 557516672 /nfs/dbraw/zinc/51/66/72/557516672.db2.gz UGSDRQBFRSJHCD-HNNXBMFYSA-N -1 3 424.950 3.989 40 0 HHABHM COc1ccc(Cl)cc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937650 558312446 /nfs/dbraw/zinc/31/24/46/558312446.db2.gz YOKRADUUTRUUDS-UHFFFAOYSA-N -1 3 404.253 3.934 40 0 HHABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000012143858 558335680 /nfs/dbraw/zinc/33/56/80/558335680.db2.gz RFQHLAYPOQDNAM-UHFFFAOYSA-N -1 3 409.467 3.802 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(Br)c2)c(Cl)c1 ZINC000020494629 558379835 /nfs/dbraw/zinc/37/98/35/558379835.db2.gz GQVILFMNQAACFN-UHFFFAOYSA-N -1 3 403.685 3.726 40 0 HHABHM COc1ccc(CN2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1OC ZINC000012329209 558383985 /nfs/dbraw/zinc/38/39/85/558383985.db2.gz KRMPJCRUUXQLBI-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000013682449 558567504 /nfs/dbraw/zinc/56/75/04/558567504.db2.gz USUXNHPBBLKYID-UHFFFAOYSA-N -1 3 404.532 3.759 40 0 HHABHM C=Cn1cc(CN2CCC(C[C@H]3CC(c4ccc(C)cc4)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019208827 558847722 /nfs/dbraw/zinc/84/77/22/558847722.db2.gz KZVSEDABQNDZMR-OAQYLSRUSA-N -1 3 422.529 3.851 40 0 HHABHM Cc1ccc2c(CC(=O)N[C@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)coc2c1 ZINC000019221656 558851995 /nfs/dbraw/zinc/85/19/95/558851995.db2.gz AKWPSVZVZZNMPF-OAQYLSRUSA-N -1 3 419.456 3.915 40 0 HHABHM COc1c(C)cccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019235868 558854922 /nfs/dbraw/zinc/85/49/22/558854922.db2.gz CRFLPGTZWNOSNQ-FQEVSTJZSA-N -1 3 416.481 3.590 40 0 HHABHM Cc1ccccc1CNc1nc([C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc(=O)[n-]1 ZINC000019237282 558856431 /nfs/dbraw/zinc/85/64/31/558856431.db2.gz FBXYUUYDQPWWIP-IBGZPJMESA-N -1 3 402.498 3.828 40 0 HHABHM O=C(CC1CCCC1)N[C@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019332560 558868951 /nfs/dbraw/zinc/86/89/51/558868951.db2.gz BIWNMEGWTXJUMW-OAQYLSRUSA-N -1 3 420.488 3.951 40 0 HHABHM COc1cc(CN2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)cc(OC)c1OC ZINC000019549767 558914446 /nfs/dbraw/zinc/91/44/46/558914446.db2.gz KFPDCIDWLZDWDF-SFHVURJKSA-N -1 3 422.485 3.607 40 0 HHABHM COc1ccc(OC)c(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c1 ZINC000019551547 558915673 /nfs/dbraw/zinc/91/56/73/558915673.db2.gz YVEMGSYFBZKYSB-FQEVSTJZSA-N -1 3 406.486 3.989 40 0 HHABHM Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)s1 ZINC000019579329 558934949 /nfs/dbraw/zinc/93/49/49/558934949.db2.gz OMSQHSNRCDKGMM-GOSISDBHSA-N -1 3 408.527 3.720 40 0 HHABHM CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cc(Br)cs2)C3)CC1 ZINC000072335473 558936425 /nfs/dbraw/zinc/93/64/25/558936425.db2.gz CWOGUOJYSPMYEU-UHFFFAOYSA-N -1 3 423.380 3.801 40 0 HHABHM CCC[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000096786943 558976035 /nfs/dbraw/zinc/97/60/35/558976035.db2.gz QHTHISMPQZWDSL-BZSNNMDCSA-N -1 3 415.287 3.928 40 0 HHABHM C[C@@H](c1cc(=O)[n-]c(N[C@@H]2CCCc3ccccc32)n1)n1ncc2ccccc2c1=O ZINC000019717931 558980884 /nfs/dbraw/zinc/98/08/84/558980884.db2.gz DRFRBNPZURNXMZ-MGPUTAFESA-N -1 3 413.481 3.579 40 0 HHABHM COc1cc(CC(=O)CC2CCN(Cc3ccccc3)CC2)c(C(=O)[O-])cc1OC ZINC000065734779 558980997 /nfs/dbraw/zinc/98/09/97/558980997.db2.gz YIAUAIMWYFAKMQ-UHFFFAOYSA-N -1 3 411.498 3.816 40 0 in-vitro HHABHM C[C@@H](c1cc(=O)[n-]c(N[C@H]2CCCc3ccccc32)n1)n1ncc2ccccc2c1=O ZINC000019717933 558981014 /nfs/dbraw/zinc/98/10/14/558981014.db2.gz DRFRBNPZURNXMZ-YWZLYKJASA-N -1 3 413.481 3.579 40 0 HHABHM CCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccc(C)c1[O-])C2 ZINC000585106816 559029122 /nfs/dbraw/zinc/02/91/22/559029122.db2.gz IPERPFIVNKLCRH-XMMPIXPASA-N -1 3 402.498 3.858 40 0 HHABHM CCc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008087722 559272967 /nfs/dbraw/zinc/27/29/67/559272967.db2.gz GURNEOBBVYBCRO-UHFFFAOYSA-N -1 3 401.315 3.781 40 0 HHABHM O=C(O[C@H]([N-]S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000001083946 560555792 /nfs/dbraw/zinc/55/57/92/560555792.db2.gz JENKGPLTJZFWIR-AWEZNQCLSA-N -1 3 408.690 3.518 40 0 HHABHM O=C(CSc1nnc(-c2ccccc2[O-])o1)Nc1nnc(-c2ccccc2)s1 ZINC000004130304 560599533 /nfs/dbraw/zinc/59/95/33/560599533.db2.gz FNJZURKTLPTKRB-UHFFFAOYSA-N -1 3 411.468 3.692 40 0 HHABHM O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1 ZINC000006681372 560632259 /nfs/dbraw/zinc/63/22/59/560632259.db2.gz STKDKLXMRUFNBS-UHFFFAOYSA-N -1 3 414.508 3.848 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1cccc(Br)c1)[C@@]2([O-])C(F)(F)F ZINC000409180052 560686735 /nfs/dbraw/zinc/68/67/35/560686735.db2.gz VXAGWFGBOYBZGX-LYSGOOTNSA-N -1 3 405.214 3.948 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(=O)N1CCCCC1 ZINC000007361452 560750491 /nfs/dbraw/zinc/75/04/91/560750491.db2.gz WVIJWBIJZBETRM-UHFFFAOYSA-N -1 3 402.516 3.739 40 0 HHABHM Cc1ccc(Cc2c(C)nc(N3CCN(c4ccc(Cl)cc4)CC3)[n-]c2=O)cc1 ZINC000017088150 560863173 /nfs/dbraw/zinc/86/31/73/560863173.db2.gz GMXSCOVYMUXWFR-UHFFFAOYSA-N -1 3 408.933 3.958 40 0 HHABHM C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000222676148 568523257 /nfs/dbraw/zinc/52/32/57/568523257.db2.gz JJXRZVZOCGDCJL-KRWDZBQOSA-N -1 3 422.506 3.844 40 0 HHABHM CC(C)C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 ZINC000222778434 568526331 /nfs/dbraw/zinc/52/63/31/568526331.db2.gz XXJGCDAANYCDIY-CQSZACIVSA-N -1 3 410.565 3.588 40 0 HHABHM CCOC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OCC)c(C)c3)cc2)CC1 ZINC000222996747 568533745 /nfs/dbraw/zinc/53/37/45/568533745.db2.gz ZGZJLPFOUMZIFK-UHFFFAOYSA-N -1 3 403.500 3.789 40 0 HHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCOc2cccc3ccccc32)c1 ZINC000223572212 568551920 /nfs/dbraw/zinc/55/19/20/568551920.db2.gz XWPOMFZSAQARPH-UHFFFAOYSA-N -1 3 419.886 3.637 40 0 HHABHM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)n1 ZINC000223603227 568553091 /nfs/dbraw/zinc/55/30/91/568553091.db2.gz ZEGHVRQTOQOEPY-UHFFFAOYSA-N -1 3 413.499 3.627 40 0 HHABHM CC(C)(C)c1ccc(OCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000224407149 568580438 /nfs/dbraw/zinc/58/04/38/568580438.db2.gz LZFXDJGSRVAQIU-UHFFFAOYSA-N -1 3 424.950 3.818 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC2CCN(C)CC2)cc1 ZINC000224738389 568594269 /nfs/dbraw/zinc/59/42/69/568594269.db2.gz KUJAGMBEBJAQCF-UHFFFAOYSA-N -1 3 410.923 3.622 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1 ZINC000224965769 568606411 /nfs/dbraw/zinc/60/64/11/568606411.db2.gz WOKUNNFMKHZZGA-UHFFFAOYSA-N -1 3 407.923 3.954 40 0 HHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1C(C)C ZINC000225017381 568609445 /nfs/dbraw/zinc/60/94/45/568609445.db2.gz NZMWGERLAGSZLL-UHFFFAOYSA-N -1 3 404.532 3.764 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSC1CCCCC1 ZINC000225471835 568640890 /nfs/dbraw/zinc/64/08/90/568640890.db2.gz FQJVDVJHKHOVLL-UHFFFAOYSA-N -1 3 408.383 3.802 40 0 HHABHM Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000226094547 568694077 /nfs/dbraw/zinc/69/40/77/568694077.db2.gz VFIOIEPOBOITGQ-UHFFFAOYSA-N -1 3 403.467 3.825 40 0 HHABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)[O-])cc4)[C@H]3C[C@H]21 ZINC000257313220 568808068 /nfs/dbraw/zinc/80/80/68/568808068.db2.gz URLCXQFPODQFEK-JYRKZWEQSA-N -1 3 409.482 3.982 40 0 HHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)c1 ZINC000006024003 569329310 /nfs/dbraw/zinc/32/93/10/569329310.db2.gz ISEOPEGHMZQEBG-UHFFFAOYSA-N -1 3 404.532 3.645 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)C)c(C)c2)cc1C ZINC000007362089 569337350 /nfs/dbraw/zinc/33/73/50/569337350.db2.gz OEKKPKJFNIGWMJ-UHFFFAOYSA-N -1 3 404.532 3.564 40 0 HHABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)c1ccccc1 ZINC000009974617 569342636 /nfs/dbraw/zinc/34/26/36/569342636.db2.gz FFVWFRSVNJAOGT-RYUDHWBXSA-N -1 3 401.315 3.538 40 0 HHABHM CCCCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)cc1 ZINC000010315321 569343600 /nfs/dbraw/zinc/34/36/00/569343600.db2.gz PTIYJWTZNGSDHS-UHFFFAOYSA-N -1 3 404.488 3.576 40 0 HHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c(Cl)c1 ZINC000040399248 525220227 /nfs/dbraw/zinc/22/02/27/525220227.db2.gz OYHVPUVUXKFRHJ-ZDUSSCGKSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000040400371 525329870 /nfs/dbraw/zinc/32/98/70/525329870.db2.gz GLVQEKCZDCYACI-KRWDZBQOSA-N -1 3 417.469 3.503 40 0 HHABHM O=C1C[C@@H](Sc2nnc(-c3ccccc3[O-])o2)C(=O)N1c1ccc(Cl)cc1 ZINC000001298638 557253850 /nfs/dbraw/zinc/25/38/50/557253850.db2.gz SKGQZFPDAYNMDU-CQSZACIVSA-N -1 3 401.831 3.520 40 0 HHABHM O=c1[n-]cnc2c1[C@H](c1ccc(Br)cc1)c1c(=O)oc3ccccc3c1O2 ZINC000003851778 557501078 /nfs/dbraw/zinc/50/10/78/557501078.db2.gz JTKKJXNFJYSEHN-CQSZACIVSA-N -1 3 423.222 3.925 40 0 HHABHM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408592079 557505134 /nfs/dbraw/zinc/50/51/34/557505134.db2.gz NRKGFCLWBZMACK-UHFFFAOYSA-N -1 3 410.923 3.696 40 0 HHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c1C ZINC000408593002 557506823 /nfs/dbraw/zinc/50/68/23/557506823.db2.gz LMWLGPGTSNTLHQ-KRWDZBQOSA-N -1 3 404.532 3.644 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1Cl ZINC000408597631 557507738 /nfs/dbraw/zinc/50/77/38/557507738.db2.gz ZRUFYVLHJUFTGL-UHFFFAOYSA-N -1 3 424.950 3.990 40 0 HHABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408598231 557508619 /nfs/dbraw/zinc/50/86/19/557508619.db2.gz YGYPSHAKXSCGKF-MRXNPFEDSA-N -1 3 404.532 3.589 40 0 HHABHM O=C(Nc1ccc(Cl)cc1[O-])C1CCC(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000004544730 557565456 /nfs/dbraw/zinc/56/54/56/557565456.db2.gz MIKMYFBIXGOICR-ZCIIYCOQSA-N -1 3 416.905 3.574 40 0 HHABHM Cc1nnc(SCc2cc(=O)[n-]c(NC(=N)Nc3cccc4ccccc43)n2)s1 ZINC000020477895 558374444 /nfs/dbraw/zinc/37/44/44/558374444.db2.gz TZYBOLIWFAHOCG-UHFFFAOYSA-N -1 3 423.527 3.834 40 0 HHABHM COc1ccccc1N1CCN(c2nc(-c3cccc4ccccc43)cc(=O)[n-]2)CC1 ZINC000013611416 558548493 /nfs/dbraw/zinc/54/84/93/558548493.db2.gz KZOXJTROYMGTDG-UHFFFAOYSA-N -1 3 412.493 3.925 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)NC(C)C ZINC000013681384 558566879 /nfs/dbraw/zinc/56/68/79/558566879.db2.gz AWNLLBFFPAEFOP-UHFFFAOYSA-N -1 3 417.314 3.941 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000016293451 558784369 /nfs/dbraw/zinc/78/43/69/558784369.db2.gz RTMLKXLWDQZJCM-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM Cc1cc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccncc1 ZINC000016790277 558807276 /nfs/dbraw/zinc/80/72/76/558807276.db2.gz RINBPJQWYNSWRG-UHFFFAOYSA-N -1 3 404.253 3.865 40 0 HHABHM Cc1cc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccccn1 ZINC000016790268 558807281 /nfs/dbraw/zinc/80/72/81/558807281.db2.gz YQXKMXALIOMNNI-UHFFFAOYSA-N -1 3 404.253 3.865 40 0 HHABHM O=C(c1cccc(F)c1F)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019292667 558864592 /nfs/dbraw/zinc/86/45/92/558864592.db2.gz FHHAWQLTPYABCD-UHFFFAOYSA-N -1 3 401.438 3.796 40 0 HHABHM O=c1cc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2cnccn2)[n-]1 ZINC000019292896 558864736 /nfs/dbraw/zinc/86/47/36/558864736.db2.gz IJHLTRMINBBYHH-AWEZNQCLSA-N -1 3 416.312 3.913 40 0 HHABHM O=C(Cc1cccc(F)c1)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019293744 558865485 /nfs/dbraw/zinc/86/54/85/558865485.db2.gz OKRCPQYBOKIYKZ-NRFANRHFSA-N -1 3 423.463 3.958 40 0 HHABHM O=C(CC1CCCC1)N[C@@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019332564 558868938 /nfs/dbraw/zinc/86/89/38/558868938.db2.gz BIWNMEGWTXJUMW-NRFANRHFSA-N -1 3 420.488 3.951 40 0 HHABHM O=C(CCCc1ccncc1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019344261 558872790 /nfs/dbraw/zinc/87/27/90/558872790.db2.gz YXEHZRKEQLCPDP-KRWDZBQOSA-N -1 3 408.527 3.622 40 0 HHABHM O=C(Cc1ccc(F)cc1)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369324 558877908 /nfs/dbraw/zinc/87/79/08/558877908.db2.gz BNXAIEKOVVXTPK-OAQYLSRUSA-N -1 3 405.473 3.819 40 0 HHABHM CC(C)c1nc(C[C@@H](NC(=O)c2cc(C3CC3)on2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453518 558890955 /nfs/dbraw/zinc/89/09/55/558890955.db2.gz ZQBNTMHUHGZUMN-QGZVFWFLSA-N -1 3 410.449 3.612 40 0 HHABHM CCOc1cc(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)ccc1OC ZINC000019532007 558912062 /nfs/dbraw/zinc/91/20/62/558912062.db2.gz CGZLSGUBCUINND-IBGZPJMESA-N -1 3 420.513 3.619 40 0 HHABHM CCOc1cc(CN2CCC[C@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)ccc1OC ZINC000019532003 558912273 /nfs/dbraw/zinc/91/22/73/558912273.db2.gz JWOGARHTJPRIHV-SFHVURJKSA-N -1 3 420.513 3.619 40 0 HHABHM COc1ccc(OC)c(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000019551549 558915607 /nfs/dbraw/zinc/91/56/07/558915607.db2.gz HSAYYEITCBRPKJ-HXUWFJFHSA-N -1 3 406.486 3.989 40 0 HHABHM COc1cccc(NC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)c1 ZINC000019565887 558925858 /nfs/dbraw/zinc/92/58/58/558925858.db2.gz LHQPBGVZUYOYBN-UHFFFAOYSA-N -1 3 410.499 3.919 40 0 HHABHM COc1ccc(CC(=O)N2CCC[C@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000019579299 558934897 /nfs/dbraw/zinc/93/48/97/558934897.db2.gz HLBUCZWQFDZQQI-QFIPXVFZSA-N -1 3 417.509 3.584 40 0 HHABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000059535466 558937427 /nfs/dbraw/zinc/93/74/27/558937427.db2.gz DCPWHHBKWAPNCX-UHFFFAOYSA-N -1 3 414.458 3.816 40 0 HHABHM COc1ccc(CCC(=O)N2CCCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377881 558967186 /nfs/dbraw/zinc/96/71/86/558967186.db2.gz FQVGGKSAZRCWTF-HXUWFJFHSA-N -1 3 418.501 3.705 40 0 HHABHM C=Cn1cc(CN2CCC(C[C@@H]3CC(c4ccccc4C)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000072389729 558970148 /nfs/dbraw/zinc/97/01/48/558970148.db2.gz GZRAHGDCZQOTJV-FQEVSTJZSA-N -1 3 422.529 3.851 40 0 HHABHM O=c1cc(C2CCN(Cc3cccnc3)CC2)nc(N[C@@H]2CCOc3ccccc32)[n-]1 ZINC000019717481 558980099 /nfs/dbraw/zinc/98/00/99/558980099.db2.gz IDYLNCGZPINDLT-HXUWFJFHSA-N -1 3 417.513 3.893 40 0 HHABHM CCCc1cnc([N-]c2nc(C3CCN(C(=O)C(C)(C)N)CC3)nc(C)c2F)s1 ZINC000585263397 559111749 /nfs/dbraw/zinc/11/17/49/559111749.db2.gz YIBSYUXDMQBGPU-UHFFFAOYSA-N -1 3 420.558 3.520 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(N)c(Br)c2)cc1 ZINC000226306200 559273143 /nfs/dbraw/zinc/27/31/43/559273143.db2.gz GJWZWOJQXDNDLY-UHFFFAOYSA-N -1 3 420.126 3.903 40 0 HHABHM CCOc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409392957 560719295 /nfs/dbraw/zinc/71/92/95/560719295.db2.gz UEPHLKHXAXNOHV-LLVKDONJSA-N -1 3 417.314 3.698 40 0 HHABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000103769354 560734657 /nfs/dbraw/zinc/73/46/57/560734657.db2.gz HAOGGYBYGLJRGB-FUHWJXTLSA-N -1 3 416.264 3.625 40 0 HHABHM Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)cc(-c2nc3ncccc3o2)c1[O-] ZINC000007505076 560751440 /nfs/dbraw/zinc/75/14/40/560751440.db2.gz XTGBLDJFLNAIRA-UHFFFAOYSA-N -1 3 403.394 3.927 40 0 HHABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c(C)c1 ZINC000010112386 560763988 /nfs/dbraw/zinc/76/39/88/560763988.db2.gz NHFBVOYWYXVSLW-UHFFFAOYSA-N -1 3 412.305 3.876 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)N1CCC(C)CC1 ZINC000014396758 560841374 /nfs/dbraw/zinc/84/13/74/560841374.db2.gz YCPPZVCUEVZGBZ-UHFFFAOYSA-N -1 3 424.469 3.646 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3noc(C(C)C)n3)cc2)cc1C ZINC000222994998 568533591 /nfs/dbraw/zinc/53/35/91/568533591.db2.gz JQTBAGWFVYJCFA-UHFFFAOYSA-N -1 3 401.488 3.902 40 0 HHABHM O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224571657 568585761 /nfs/dbraw/zinc/58/57/61/568585761.db2.gz UELYXYGMJRSHII-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224569404 568585800 /nfs/dbraw/zinc/58/58/00/568585800.db2.gz OWHHBARPFFTGBO-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(I)cc2)c(C)c1 ZINC000224617193 568588258 /nfs/dbraw/zinc/58/82/58/568588258.db2.gz SSLXAJSZVMSIEL-UHFFFAOYSA-N -1 3 417.268 3.717 40 0 HHABHM CCC1(CC)C[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc2O1 ZINC000225404599 568634501 /nfs/dbraw/zinc/63/45/01/568634501.db2.gz MWURLVBMLBWXEN-SFHVURJKSA-N -1 3 402.516 3.871 40 0 HHABHM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000253591147 569318209 /nfs/dbraw/zinc/31/82/09/569318209.db2.gz KGTBTABUXNEZMY-LJHODMEESA-N -1 3 412.559 3.512 40 0 HHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000006636402 569334220 /nfs/dbraw/zinc/33/42/20/569334220.db2.gz DCVSCXYRKIOLKM-AWEZNQCLSA-N -1 3 410.923 3.824 40 0 HHABHM COc1ccc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)cc1 ZINC000021112520 569349724 /nfs/dbraw/zinc/34/97/24/569349724.db2.gz FUBUDFLEUJJTRY-UHFFFAOYSA-N -1 3 404.879 3.777 40 0 HHABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399197 519837596 /nfs/dbraw/zinc/83/75/96/519837596.db2.gz JUSKINDASLRPAK-QGZVFWFLSA-N -1 3 417.469 3.701 40 0 HHABHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408597330 557516654 /nfs/dbraw/zinc/51/66/54/557516654.db2.gz YPXUKMVMJAEGJV-AWEZNQCLSA-N -1 3 410.923 3.741 40 0 HHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408677691 557683771 /nfs/dbraw/zinc/68/37/71/557683771.db2.gz QRPFNKHCWXXPFN-OAHLLOKOSA-N -1 3 408.495 3.619 40 0 HHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1NC(=O)CC ZINC000408698731 557715305 /nfs/dbraw/zinc/71/53/05/557715305.db2.gz RYVAEBIVSWBPHV-UHFFFAOYSA-N -1 3 412.895 3.897 40 0 HHABHM CCOc1cc(CN2CC[C@@H](c3cc4nc(C)c(CC)c(=O)n4[n-]3)C2)ccc1OC ZINC000012276379 558364220 /nfs/dbraw/zinc/36/42/20/558364220.db2.gz SWZFHOMWXQLCPW-QGZVFWFLSA-N -1 3 410.518 3.703 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1Cl ZINC000020482527 558375503 /nfs/dbraw/zinc/37/55/03/558375503.db2.gz RZLYEUKHXATOPF-UHFFFAOYSA-N -1 3 401.315 3.728 40 0 HHABHM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020495873 558380417 /nfs/dbraw/zinc/38/04/17/558380417.db2.gz CFQOBDJUWOPJAQ-UHFFFAOYSA-N -1 3 410.923 3.606 40 0 HHABHM COc1ccc(OC)c(CN2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c1 ZINC000012328089 558383543 /nfs/dbraw/zinc/38/35/43/558383543.db2.gz DCCCEXDVLMYERN-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000022529028 558496610 /nfs/dbraw/zinc/49/66/10/558496610.db2.gz OKSFFGTUMUXWMM-UHFFFAOYSA-N -1 3 403.685 3.726 40 0 HHABHM [O-]C(c1ccccc1)=C1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000013109386 558514841 /nfs/dbraw/zinc/51/48/41/558514841.db2.gz KVPDPAYJXWEZAU-KEYYUXOJSA-N -1 3 414.836 3.609 40 0 HHABHM O=C(CC1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019014723 558836776 /nfs/dbraw/zinc/83/67/76/558836776.db2.gz LDUOVGMYCPYIAO-GOSISDBHSA-N -1 3 412.578 3.769 40 0 HHABHM Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)CC2)cc1 ZINC000019136830 558846385 /nfs/dbraw/zinc/84/63/85/558846385.db2.gz LBRZGJNJSYYWOG-NRFANRHFSA-N -1 3 420.557 3.652 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]Cc2ccco2)c(Br)cc1Br ZINC000054363019 558867847 /nfs/dbraw/zinc/86/78/47/558867847.db2.gz GFAJUMHUEHMWAJ-UHFFFAOYSA-N -1 3 409.099 3.592 40 0 HHABHM COc1ccc(CN2CCC(c3cc(=O)[n-]c(-c4ccccn4)n3)CC2)cc1OC ZINC000019560882 558921645 /nfs/dbraw/zinc/92/16/45/558921645.db2.gz NUZLGXKVIIZUQV-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM COc1cccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019564318 558924435 /nfs/dbraw/zinc/92/44/35/558924435.db2.gz RSLRYXUDSZUPPK-IBGZPJMESA-N -1 3 409.511 3.803 40 0 HHABHM COc1cccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)c1 ZINC000019564758 558924861 /nfs/dbraw/zinc/92/48/61/558924861.db2.gz XZVBQXKYKZYIHC-HXUWFJFHSA-N -1 3 407.445 3.509 40 0 HHABHM O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl ZINC000015085481 558987235 /nfs/dbraw/zinc/98/72/35/558987235.db2.gz JEBSMSNPZAAHCG-UHFFFAOYSA-N -1 3 415.298 3.736 40 0 HHABHM CCC(CC)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(C)C)[n-]n3c(=O)c2C1 ZINC000100233728 559132704 /nfs/dbraw/zinc/13/27/04/559132704.db2.gz HGDSHPMVJQOJJF-FQEVSTJZSA-N -1 3 413.566 3.691 40 0 HHABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(O)c1 ZINC000102729531 559152336 /nfs/dbraw/zinc/15/23/36/559152336.db2.gz IGUTXHYMHKWJIM-HKBOAZHASA-N -1 3 404.397 3.582 40 0 HHABHM Nc1cc2nn(-c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)nc2cc1Cl ZINC000226306370 559273148 /nfs/dbraw/zinc/27/31/48/559273148.db2.gz IKDMCMYNIZEBSJ-UHFFFAOYSA-N -1 3 417.853 3.596 40 0 HHABHM COC(=O)c1c(C)c(C(=O)Nc2cccc(OC)c2)sc1[N-]C(=O)c1ccco1 ZINC000000871299 559293373 /nfs/dbraw/zinc/29/33/73/559293373.db2.gz SWPLIDWECLTGLW-UHFFFAOYSA-N -1 3 414.439 3.949 40 0 HHABHM O=C([N-]c1nccs1)c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1 ZINC000006681367 560632227 /nfs/dbraw/zinc/63/22/27/560632227.db2.gz PEASRJHJYNGONA-UHFFFAOYSA-N -1 3 405.526 3.598 40 0 HHABHM C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cc(Cl)ccc3[O-])c2)C1 ZINC000006680947 560633962 /nfs/dbraw/zinc/63/39/62/560633962.db2.gz IQECMJDTXTXLBN-LLVKDONJSA-N -1 3 414.936 3.780 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1cccc(Br)c1)[C@@]2([O-])C(F)(F)F ZINC000409180049 560686772 /nfs/dbraw/zinc/68/67/72/560686772.db2.gz VXAGWFGBOYBZGX-BCQZVRRWSA-N -1 3 405.214 3.948 40 0 HHABHM COc1ccc(C)cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409393982 560719561 /nfs/dbraw/zinc/71/95/61/560719561.db2.gz ZVIRPPWMCUVNQU-LLVKDONJSA-N -1 3 417.314 3.616 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000005598752 560738231 /nfs/dbraw/zinc/73/82/31/560738231.db2.gz YPYFFZHVSGIQSK-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(=O)N1CCCCC1 ZINC000007361446 560750453 /nfs/dbraw/zinc/75/04/53/560750453.db2.gz ORGKWGMRSCSXSJ-UHFFFAOYSA-N -1 3 402.516 3.739 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000014397787 560841723 /nfs/dbraw/zinc/84/17/23/560841723.db2.gz LYMRQUXMBXQVDQ-UHFFFAOYSA-N -1 3 406.479 3.507 40 0 HHABHM Cc1ccc(SCc2cc(=O)[n-]c(N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000020414467 560884126 /nfs/dbraw/zinc/88/41/26/560884126.db2.gz WGUZZNMTHNEAHJ-UHFFFAOYSA-N -1 3 410.518 3.836 40 0 HHABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000004721481 568419456 /nfs/dbraw/zinc/41/94/56/568419456.db2.gz QKCWRQZHQLQNEA-HBMCJLEFSA-N -1 3 404.422 3.729 40 0 HHABHM CC(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000005614099 568453120 /nfs/dbraw/zinc/45/31/20/568453120.db2.gz DCXCGORUUGMHBZ-QKLQHJQFSA-N -1 3 406.404 3.914 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]CCOc2cccc(C)c2C)c(Cl)c1Cl ZINC000223918282 568562924 /nfs/dbraw/zinc/56/29/24/568562924.db2.gz WPTRYQVQEQMJHG-UHFFFAOYSA-N -1 3 404.315 3.976 40 0 HHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(C)c(C)c1 ZINC000224531352 568583851 /nfs/dbraw/zinc/58/38/51/568583851.db2.gz NGTFCTQUSXOKCR-CQSZACIVSA-N -1 3 410.565 3.569 40 0 HHABHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000224545957 568584635 /nfs/dbraw/zinc/58/46/35/568584635.db2.gz POORJZXYUXFJPW-UHFFFAOYSA-N -1 3 416.524 3.738 40 0 HHABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224598023 568587056 /nfs/dbraw/zinc/58/70/56/568587056.db2.gz YLPCQPZNYUQVLJ-SSKFGXFMSA-N -1 3 420.538 3.945 40 0 HHABHM CCn1c(=O)sc2cc([N-]S(=O)(=O)Cc3c(F)cccc3Cl)ccc21 ZINC000225099485 568614387 /nfs/dbraw/zinc/61/43/87/568614387.db2.gz UGOGGBVBUONGHX-UHFFFAOYSA-N -1 3 400.884 3.817 40 0 HHABHM CC(C)CSc1nnc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)s1 ZINC000225124666 568615715 /nfs/dbraw/zinc/61/57/15/568615715.db2.gz OURSBVKJKBATKH-UHFFFAOYSA-N -1 3 420.969 3.563 40 0 HHABHM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)cc2sc1=O ZINC000225680683 568663704 /nfs/dbraw/zinc/66/37/04/568663704.db2.gz BSTDKBWZNRQRDO-UHFFFAOYSA-N -1 3 404.513 3.722 40 0 HHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000005978159 569329195 /nfs/dbraw/zinc/32/91/95/569329195.db2.gz VGBVUNAOXRMSAQ-UHFFFAOYSA-N -1 3 420.531 3.571 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(C)c2)cc1C ZINC000007362154 569337497 /nfs/dbraw/zinc/33/74/97/569337497.db2.gz ASRIBDXZIJNBSC-UHFFFAOYSA-N -1 3 418.559 3.954 40 0 HHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000033660198 569350892 /nfs/dbraw/zinc/35/08/92/569350892.db2.gz YAYSSBBUZXNYSB-UHFFFAOYSA-N -1 3 410.923 3.826 40 0 HHABHM COc1cc2c(cc1OC)[C@@H]1C(=O)c3c([O-])cc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 ZINC000001684799 291253774 /nfs/dbraw/zinc/25/37/74/291253774.db2.gz JLTNCZQNGBLBGO-MOPGFXCFSA-N -1 3 410.422 3.714 40 0 biogenic,in-vitro HHABHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)cc2)c(Cl)c1Cl ZINC000044950059 525065963 /nfs/dbraw/zinc/06/59/63/525065963.db2.gz MJFGCTVFZVEADU-UHFFFAOYSA-N -1 3 412.298 3.666 40 0 HHABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCCCC1 ZINC000408583544 557482212 /nfs/dbraw/zinc/48/22/12/557482212.db2.gz IFTDWLLNBWLNOL-LBPRGKRZSA-N -1 3 407.363 3.889 40 0 HHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c1 ZINC000408594876 557512543 /nfs/dbraw/zinc/51/25/43/557512543.db2.gz PPICLLMUVJOZAV-QGZVFWFLSA-N -1 3 404.532 3.644 40 0 HHABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000408605876 557518098 /nfs/dbraw/zinc/51/80/98/557518098.db2.gz NTPLBJAQRRHJBX-GFCCVEGCSA-N -1 3 414.886 3.572 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000408601844 557522464 /nfs/dbraw/zinc/52/24/64/557522464.db2.gz BXEXYXQDWQRUAF-AWEZNQCLSA-N -1 3 410.923 3.579 40 0 HHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000004171787 557523942 /nfs/dbraw/zinc/52/39/42/557523942.db2.gz BBDZXTPMYXECLD-UFYCRDLUSA-N -1 3 406.463 3.808 40 0 HHABHM CSc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c1 ZINC000408612762 557530969 /nfs/dbraw/zinc/53/09/69/557530969.db2.gz YPUFVQNPLUBORS-OAHLLOKOSA-N -1 3 422.572 3.749 40 0 HHABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)ccc1OC ZINC000013678837 558565558 /nfs/dbraw/zinc/56/55/58/558565558.db2.gz SFHDCLLOMUCNIB-UHFFFAOYSA-N -1 3 422.812 3.528 40 0 HHABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccccc1 ZINC000038172895 558638408 /nfs/dbraw/zinc/63/84/08/558638408.db2.gz YGYTVDXRGAHCSC-UHFFFAOYSA-N -1 3 405.277 3.671 40 0 HHABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccccc1 ZINC000038172895 558638411 /nfs/dbraw/zinc/63/84/11/558638411.db2.gz YGYTVDXRGAHCSC-UHFFFAOYSA-N -1 3 405.277 3.671 40 0 HHABHM O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015789977 558753494 /nfs/dbraw/zinc/75/34/94/558753494.db2.gz PJZGGMNMXGSAJV-UHFFFAOYSA-N -1 3 402.422 3.696 40 0 HHABHM COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019285375 558859940 /nfs/dbraw/zinc/85/99/40/558859940.db2.gz FADFAMBAMCADIW-SFHVURJKSA-N -1 3 415.852 3.593 40 0 HHABHM CCSc1ncc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4cccs4)n3)C2)cn1 ZINC000019520528 558901421 /nfs/dbraw/zinc/90/14/21/558901421.db2.gz CRQJZXOECVRVBO-HNNXBMFYSA-N -1 3 413.572 3.780 40 0 HHABHM Cc1nc(C)c(C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)s1 ZINC000019559994 558921136 /nfs/dbraw/zinc/92/11/36/558921136.db2.gz YJXFEZXTMHNGLZ-UHFFFAOYSA-N -1 3 414.556 3.667 40 0 HHABHM COc1cccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c1OC ZINC000019567879 558927099 /nfs/dbraw/zinc/92/70/99/558927099.db2.gz BSRFEUVKJLUHBG-IBGZPJMESA-N -1 3 406.486 3.989 40 0 HHABHM Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)s1 ZINC000019579332 558934921 /nfs/dbraw/zinc/93/49/21/558934921.db2.gz OMSQHSNRCDKGMM-SFHVURJKSA-N -1 3 408.527 3.720 40 0 HHABHM COCc1ccc(C(=O)N2CCC[C@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000019579380 558934935 /nfs/dbraw/zinc/93/49/35/558934935.db2.gz WBCWERAKUGSGLP-QFIPXVFZSA-N -1 3 417.509 3.793 40 0 HHABHM C[C@H](c1cc(=O)[n-]c(N[C@H]2CCCc3ccccc32)n1)n1ncc2ccccc2c1=O ZINC000019717934 558980991 /nfs/dbraw/zinc/98/09/91/558980991.db2.gz DRFRBNPZURNXMZ-QRWLVFNGSA-N -1 3 413.481 3.579 40 0 HHABHM O=S(=O)([N-]CCSCc1ccccc1F)c1ccc(Br)s1 ZINC000007688889 559256134 /nfs/dbraw/zinc/25/61/34/559256134.db2.gz QZYBKFMYKNGGSU-UHFFFAOYSA-N -1 3 410.355 3.861 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]C12CC3CC(CC(C3)C1)C2 ZINC000007306005 560750332 /nfs/dbraw/zinc/75/03/32/560750332.db2.gz ZUMKVCZDAFWIOI-UHFFFAOYSA-N -1 3 400.338 3.705 40 0 HHABHM O=c1c2c3c(c[n-]c-2nn1-c1nc2ccccc2o1)C(=O)C[C@@H](c1cccs1)C3 ZINC000013639635 560826201 /nfs/dbraw/zinc/82/62/01/560826201.db2.gz DQYMALZKRQRJHU-NSHDSACASA-N -1 3 402.435 3.829 40 0 HHABHM O=c1c2c3c(c[n-]c-2nn1-c1nc2ccccc2o1)C(=O)C[C@H](c1cccs1)C3 ZINC000013639637 560826212 /nfs/dbraw/zinc/82/62/12/560826212.db2.gz DQYMALZKRQRJHU-LLVKDONJSA-N -1 3 402.435 3.829 40 0 HHABHM COc1cccc(N2CCN(c3nc(C)c(Cc4cccc(Cl)c4)c(=O)[n-]3)CC2)c1 ZINC000014162196 560840267 /nfs/dbraw/zinc/84/02/67/560840267.db2.gz CGIMOWUTXGNHNV-UHFFFAOYSA-N -1 3 424.932 3.658 40 0 HHABHM O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1C=C([O-])NC(Nc2ccc(F)cc2)=N1 ZINC000014607658 560847116 /nfs/dbraw/zinc/84/71/16/560847116.db2.gz FEAIETGSAKBXFK-FQEVSTJZSA-N -1 3 418.428 3.913 40 0 HHABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccco2)cc1 ZINC000004166178 560893448 /nfs/dbraw/zinc/89/34/48/560893448.db2.gz HXJRKUHQBVJCQZ-AQNXPRMDSA-N -1 3 424.840 3.993 40 0 HHABHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000224545476 568584624 /nfs/dbraw/zinc/58/46/24/568584624.db2.gz VCGPRLGWTTUEDU-UHFFFAOYSA-N -1 3 420.487 3.568 40 0 HHABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1NC(C)=O ZINC000224938364 568604886 /nfs/dbraw/zinc/60/48/86/568604886.db2.gz MZXABRNPXDJJET-UHFFFAOYSA-N -1 3 405.545 3.768 40 0 HHABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000224977537 568607146 /nfs/dbraw/zinc/60/71/46/568607146.db2.gz NLBSWHNNRKMZRR-UHFFFAOYSA-N -1 3 408.907 3.918 40 0 HHABHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1NC(C)=O ZINC000225299430 568628664 /nfs/dbraw/zinc/62/86/64/568628664.db2.gz FBVGFFUQVZFSMK-UHFFFAOYSA-N -1 3 415.334 3.930 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCC(C)(C)C ZINC000226055800 568692314 /nfs/dbraw/zinc/69/23/14/568692314.db2.gz RVZQVXJAOZNOKJ-UHFFFAOYSA-N -1 3 424.950 3.990 40 0 HHABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1C[C@@H]2CC[C@H](Oc3ccccc3)[C@@H]2C1 ZINC000257250871 568790555 /nfs/dbraw/zinc/79/05/55/568790555.db2.gz JOJNMLXLSYEEAS-DSKINZAPSA-N -1 3 401.466 3.779 40 0 HHABHM CCOc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c1 ZINC000226243872 569278765 /nfs/dbraw/zinc/27/87/65/569278765.db2.gz GJKGLFGPEAKXTJ-UHFFFAOYSA-N -1 3 409.305 3.989 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000015439165 569345008 /nfs/dbraw/zinc/34/50/08/569345008.db2.gz KVLGSXOMSCVKOJ-UHFFFAOYSA-N -1 3 412.467 3.757 40 0 HHABHM CC(C)CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000033760943 569351275 /nfs/dbraw/zinc/35/12/75/569351275.db2.gz FVBLVAQYJULGRA-UHFFFAOYSA-N -1 3 410.923 3.682 40 0 HHABHM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Cl)c([O-])c(OC)c1 ZINC000261363482 569413591 /nfs/dbraw/zinc/41/35/91/569413591.db2.gz SROOCXLEXJZNBQ-KRWDZBQOSA-O -1 3 417.898 3.589 40 0 HHABHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CNc1ccncc1 ZINC000001103293 557179724 /nfs/dbraw/zinc/17/97/24/557179724.db2.gz KWEKHEFJSXTKGY-UHFFFAOYSA-N -1 3 404.264 3.830 40 0 HHABHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408590448 557499808 /nfs/dbraw/zinc/49/98/08/557499808.db2.gz GVNFFHWSMNBSLW-HNNXBMFYSA-N -1 3 424.950 3.989 40 0 HHABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)ccc1C ZINC000408602038 557522429 /nfs/dbraw/zinc/52/24/29/557522429.db2.gz HMDHOQAKVQAKMV-UHFFFAOYSA-N -1 3 406.813 3.828 40 0 HHABHM CCCCc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000408609887 557533310 /nfs/dbraw/zinc/53/33/10/557533310.db2.gz SKJMEPFUORXFKN-CQSZACIVSA-N -1 3 424.950 3.997 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1N1CCCC1=O ZINC000020043719 558326773 /nfs/dbraw/zinc/32/67/73/558326773.db2.gz RYVLIINZJGIOBX-UHFFFAOYSA-N -1 3 415.298 3.930 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1N1CCCC1=O ZINC000020111912 558336058 /nfs/dbraw/zinc/33/60/58/558336058.db2.gz JCBAXGHPFZEGSG-UHFFFAOYSA-N -1 3 415.298 3.930 40 0 HHABHM COc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c(OC)cc1Cl ZINC000020482930 558375436 /nfs/dbraw/zinc/37/54/36/558375436.db2.gz HFBCANVHBYDLFE-UHFFFAOYSA-N -1 3 419.286 3.634 40 0 HHABHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(Cl)c1 ZINC000020494532 558379667 /nfs/dbraw/zinc/37/96/67/558379667.db2.gz CXCRUFYWARQAQW-UHFFFAOYSA-N -1 3 404.271 3.980 40 0 HHABHM COc1ccc(CN2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c(OC)c1 ZINC000012328251 558383547 /nfs/dbraw/zinc/38/35/47/558383547.db2.gz HHRQODRXIVRBJJ-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM COc1ccc(-c2nc(C3CCN(Cc4cnc(SC)nc4)CC3)cc(=O)[n-]2)cc1 ZINC000012328988 558383788 /nfs/dbraw/zinc/38/37/88/558383788.db2.gz ZZRMMCWRPBDVGN-UHFFFAOYSA-N -1 3 423.542 3.749 40 0 HHABHM O=C(c1c[n-]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022234027 558470204 /nfs/dbraw/zinc/47/02/04/558470204.db2.gz YICYTGHJRCNYGI-UHFFFAOYSA-N -1 3 401.388 3.509 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000022256622 558474473 /nfs/dbraw/zinc/47/44/73/558474473.db2.gz SZBZWQPEDGBJCW-UHFFFAOYSA-N -1 3 414.270 3.531 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)c(Cl)c1Cl ZINC000013631976 558552456 /nfs/dbraw/zinc/55/24/56/558552456.db2.gz VRIOPNMPEBBQNT-UHFFFAOYSA-N -1 3 415.342 3.733 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000015439210 558740017 /nfs/dbraw/zinc/74/00/17/558740017.db2.gz IFUKDEAQBVKJDB-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(CN3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000016310466 558785344 /nfs/dbraw/zinc/78/53/44/558785344.db2.gz PCKYMZZXXXKAIR-UHFFFAOYSA-N -1 3 420.490 3.900 40 0 HHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccco2)cc1 ZINC000100799307 558796075 /nfs/dbraw/zinc/79/60/75/558796075.db2.gz HXJRKUHQBVJCQZ-ZCNNSNEGSA-N -1 3 424.840 3.993 40 0 HHABHM CN1CCN(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000038386461 558811296 /nfs/dbraw/zinc/81/12/96/558811296.db2.gz UXCGFUMFNJHZNH-UHFFFAOYSA-N -1 3 400.331 3.546 40 0 HHABHM O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019014725 558836842 /nfs/dbraw/zinc/83/68/42/558836842.db2.gz LDUOVGMYCPYIAO-SFHVURJKSA-N -1 3 412.578 3.769 40 0 HHABHM COc1c(C)cccc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019235869 558855031 /nfs/dbraw/zinc/85/50/31/558855031.db2.gz CRFLPGTZWNOSNQ-HXUWFJFHSA-N -1 3 416.481 3.590 40 0 HHABHM CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019499847 558898123 /nfs/dbraw/zinc/89/81/23/558898123.db2.gz IGIJKYZXMNJXEO-JXFKEZNVSA-N -1 3 400.567 3.830 40 0 HHABHM CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[n-]c(C(C)C)n1)c1ccc(F)cc1 ZINC000019521271 558902639 /nfs/dbraw/zinc/90/26/39/558902639.db2.gz ACRFFSBEXAQLKU-GOSISDBHSA-N -1 3 412.465 3.605 40 0 HHABHM COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c(OC)c1 ZINC000019552332 558915780 /nfs/dbraw/zinc/91/57/80/558915780.db2.gz XIXJJEIVVPDBGG-HXUWFJFHSA-N -1 3 406.486 3.989 40 0 HHABHM CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)CC1 ZINC000257255176 558994743 /nfs/dbraw/zinc/99/47/43/558994743.db2.gz KGLZJYPWKYSLTP-KNBMTAEXSA-N -1 3 408.502 3.577 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(Br)cc1)[C@@]2([O-])C(F)(F)F ZINC000409180524 560688229 /nfs/dbraw/zinc/68/82/29/560688229.db2.gz WLNPEZRBRLGEEH-LYSGOOTNSA-N -1 3 405.214 3.948 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1C ZINC000409385164 560717710 /nfs/dbraw/zinc/71/77/10/560717710.db2.gz GHRVERXHXHGJJP-UHFFFAOYSA-N -1 3 416.543 3.886 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1c(F)cccc1F ZINC000409387656 560720135 /nfs/dbraw/zinc/72/01/35/560720135.db2.gz AVWMVXPMHDFUPV-MRVPVSSYSA-N -1 3 409.241 3.577 40 0 HHABHM O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1C=C([O-])NC(Nc2ccc(F)cc2)=N1 ZINC000014607659 560847095 /nfs/dbraw/zinc/84/70/95/560847095.db2.gz FEAIETGSAKBXFK-HXUWFJFHSA-N -1 3 418.428 3.913 40 0 HHABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c1 ZINC000100634975 560850734 /nfs/dbraw/zinc/85/07/34/560850734.db2.gz CXQYYROFFWGQCQ-ZCNNSNEGSA-N -1 3 406.463 3.808 40 0 HHABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102005352 560852335 /nfs/dbraw/zinc/85/23/35/560852335.db2.gz PUFCLNNYRLZNST-UFYCRDLUSA-N -1 3 405.841 3.786 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000017333705 560868814 /nfs/dbraw/zinc/86/88/14/560868814.db2.gz RHUCLKKBDFWLKI-UHFFFAOYSA-N -1 3 402.335 3.528 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)CCNc2ccc(Cc3ccncc3)cc2)cc1 ZINC000036646383 560882770 /nfs/dbraw/zinc/88/27/70/560882770.db2.gz OABGPTWUBGJEKB-UHFFFAOYSA-N -1 3 409.511 3.729 40 0 HHABHM CC(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000005614098 568453101 /nfs/dbraw/zinc/45/31/01/568453101.db2.gz DCXCGORUUGMHBZ-HLIPFELVSA-N -1 3 406.404 3.914 40 0 HHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccccc2C(C)C)c1 ZINC000223830209 568560197 /nfs/dbraw/zinc/56/01/97/568560197.db2.gz URPDIHJMLPECCC-UHFFFAOYSA-N -1 3 411.907 3.607 40 0 HHABHM O=C(NCCCc1ccco1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223964751 568564649 /nfs/dbraw/zinc/56/46/49/568564649.db2.gz CYUNXPJAXWKQHP-UHFFFAOYSA-N -1 3 402.447 3.582 40 0 HHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 ZINC000224011380 568566213 /nfs/dbraw/zinc/56/62/13/568566213.db2.gz CQYXMRWDWLOQIC-UHFFFAOYSA-N -1 3 402.516 3.739 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)ccc2C)cc1 ZINC000224059143 568568215 /nfs/dbraw/zinc/56/82/15/568568215.db2.gz LMJHTPALKAZZTP-MRUHUIDDSA-N -1 3 414.527 3.723 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)ccc1N1CCCC1=O ZINC000224376033 568579502 /nfs/dbraw/zinc/57/95/02/568579502.db2.gz ZPIAMXKIRIAZML-UHFFFAOYSA-N -1 3 421.522 3.908 40 0 HHABHM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224540544 568584246 /nfs/dbraw/zinc/58/42/46/568584246.db2.gz WDDJLUHMSHTFIH-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM Cc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1[N-]S(C)(=O)=O ZINC000225151110 568618281 /nfs/dbraw/zinc/61/82/81/568618281.db2.gz IDWUXQGBFJWMGH-UHFFFAOYSA-N -1 3 419.528 3.576 40 0 HHABHM CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000257272532 568796413 /nfs/dbraw/zinc/79/64/13/568796413.db2.gz NCTCDSKDWBFKQQ-QGZVFWFLSA-N -1 3 417.575 3.589 40 0 HHABHM CS(=O)(=O)c1c[n-]nc1C[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000257272532 568796414 /nfs/dbraw/zinc/79/64/14/568796414.db2.gz NCTCDSKDWBFKQQ-QGZVFWFLSA-N -1 3 417.575 3.589 40 0 HHABHM CC(=O)Cc1nsc([N-]C(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 ZINC000026770365 569047793 /nfs/dbraw/zinc/04/77/93/569047793.db2.gz VLEQILNKTHYCMW-UHFFFAOYSA-N -1 3 421.457 3.914 40 0 HHABHM Cc1ccccc1OCC(=O)NC(=S)Nc1cc(C)c([O-])c(Br)c1 ZINC000226244125 569278752 /nfs/dbraw/zinc/27/87/52/569278752.db2.gz ZQMRLMSOBVUEHQ-UHFFFAOYSA-N -1 3 409.305 3.664 40 0 HHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000006416201 569332096 /nfs/dbraw/zinc/33/20/96/569332096.db2.gz TZUGEMHRAXJTRD-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362134 569337356 /nfs/dbraw/zinc/33/73/56/569337356.db2.gz JQJLJRONEGRQLN-UHFFFAOYSA-N -1 3 404.532 3.660 40 0 HHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)c1 ZINC000107825621 569353004 /nfs/dbraw/zinc/35/30/04/569353004.db2.gz VUPHPFQDIOJNKU-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000107905774 569353136 /nfs/dbraw/zinc/35/31/36/569353136.db2.gz QUJHUVWMADTTIX-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000107957496 569353173 /nfs/dbraw/zinc/35/31/73/569353173.db2.gz NSIZFELDOWCYEX-UHFFFAOYSA-N -1 3 402.516 3.624 40 0 HHABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c1 ZINC000011666523 569398809 /nfs/dbraw/zinc/39/88/09/569398809.db2.gz WTVQUSKAZVHUDT-FSSWDIPSSA-N -1 3 418.424 3.885 40 0 HHABHM CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)CC)cc2)ccc1Cl ZINC000044850219 521443285 /nfs/dbraw/zinc/44/32/85/521443285.db2.gz VIGIXLMTXABMMY-UHFFFAOYSA-N -1 3 410.879 3.531 40 0 HHABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)c(C)c1 ZINC000408593217 557506952 /nfs/dbraw/zinc/50/69/52/557506952.db2.gz PQOLVBGMIQGUMS-KRWDZBQOSA-N -1 3 404.532 3.705 40 0 HHABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c(C)c1 ZINC000408595391 557512523 /nfs/dbraw/zinc/51/25/23/557512523.db2.gz QCNHQHCLJUGAFA-SFHVURJKSA-N -1 3 418.559 3.952 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000408606967 557518767 /nfs/dbraw/zinc/51/87/67/557518767.db2.gz MTKBQILRMIVZTD-CYBMUJFWSA-N -1 3 418.902 3.807 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000408608357 557531920 /nfs/dbraw/zinc/53/19/20/557531920.db2.gz PEUUEISIOXYVSK-NSHDSACASA-N -1 3 417.314 3.616 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000408608838 557532136 /nfs/dbraw/zinc/53/21/36/557532136.db2.gz PXQPMLMGXMMCPZ-NSHDSACASA-N -1 3 417.314 3.616 40 0 HHABHM O=C1c2ccccc2C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000408721876 557770875 /nfs/dbraw/zinc/77/08/75/557770875.db2.gz MHFSSCGLYGVINH-UHFFFAOYSA-N -1 3 412.854 3.941 40 0 HHABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1OC ZINC000010008777 557853061 /nfs/dbraw/zinc/85/30/61/557853061.db2.gz NVUPCOXPAGODLT-UHFFFAOYSA-N -1 3 412.467 3.648 40 0 HHABHM COc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000010543562 558258954 /nfs/dbraw/zinc/25/89/54/558258954.db2.gz DQUWMJXRZJPDLQ-LLVKDONJSA-N -1 3 420.314 3.756 40 0 HHABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccnc1 ZINC000011582391 558264352 /nfs/dbraw/zinc/26/43/52/558264352.db2.gz URMJABIZXOISIF-AABGKKOBSA-N -1 3 405.841 3.786 40 0 HHABHM CCCCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000020042558 558326325 /nfs/dbraw/zinc/32/63/25/558326325.db2.gz GGLICGOOMNZMRZ-UHFFFAOYSA-N -1 3 424.906 3.921 40 0 HHABHM CCc1c(C)nc(NC2CCN(C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)[n-]c1=O ZINC000012114051 558327292 /nfs/dbraw/zinc/32/72/92/558327292.db2.gz BCHWGKSHSPUISA-UHFFFAOYSA-N -1 3 416.953 3.675 40 0 HHABHM C=Cn1ncc(CN2CCC(C[C@H]3CC(c4ccc(C)cc4)=NO3)(C(=O)[O-])CC2)c1C ZINC000019208843 558847728 /nfs/dbraw/zinc/84/77/28/558847728.db2.gz OFGWXXJVUKNAIU-OAQYLSRUSA-N -1 3 422.529 3.851 40 0 HHABHM Cc1cccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019234831 558854005 /nfs/dbraw/zinc/85/40/05/558854005.db2.gz FNEXFTMZDMTAAV-NRFANRHFSA-N -1 3 400.482 3.511 40 0 HHABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(NCc4ccc(F)cc4)n3)CC2=O)c1C ZINC000019235588 558854599 /nfs/dbraw/zinc/85/45/99/558854599.db2.gz YQKYGIMXMMMNHF-KRWDZBQOSA-N -1 3 406.461 3.658 40 0 HHABHM COc1ccccc1CNc1nc([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc(=O)[n-]1 ZINC000019235598 558854711 /nfs/dbraw/zinc/85/47/11/558854711.db2.gz YBAWVSVQNABJQY-GOSISDBHSA-N -1 3 418.497 3.528 40 0 HHABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)c1 ZINC000013810803 558884455 /nfs/dbraw/zinc/88/44/55/558884455.db2.gz VVZSTPFSPDKUIM-FKBYEOEOSA-N -1 3 418.424 3.885 40 0 HHABHM CC(C)c1nc(C[C@H](NC(=O)Cc2ccccc2F)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453504 558890840 /nfs/dbraw/zinc/89/08/40/558890840.db2.gz VGGWAUSEKLJDCK-FQEVSTJZSA-N -1 3 411.452 3.814 40 0 HHABHM CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019499844 558897779 /nfs/dbraw/zinc/89/77/79/558897779.db2.gz IGIJKYZXMNJXEO-OXQOHEQNSA-N -1 3 400.567 3.830 40 0 HHABHM CC[C@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019499821 558897869 /nfs/dbraw/zinc/89/78/69/558897869.db2.gz ADSQQGFMIKJEGU-JKSUJKDBSA-N -1 3 414.575 3.554 40 0 HHABHM COCCOc1cccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)c1 ZINC000019593794 558944875 /nfs/dbraw/zinc/94/48/75/558944875.db2.gz VOPDTBQEGVUCEW-QFIPXVFZSA-N -1 3 420.513 3.997 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000006824072 559216839 /nfs/dbraw/zinc/21/68/39/559216839.db2.gz AWUJXRFOSSUAMU-SECBINFHSA-N -1 3 407.706 3.952 40 0 HHABHM Cc1cc(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000409172408 560686653 /nfs/dbraw/zinc/68/66/53/560686653.db2.gz HIVXLNZHAGTALX-PGQWDYDZSA-N -1 3 404.816 3.913 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1Br ZINC000007051715 560749418 /nfs/dbraw/zinc/74/94/18/560749418.db2.gz HGBWOWAVKARZCB-UHFFFAOYSA-N -1 3 411.321 3.859 40 0 HHABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)c1 ZINC000101229111 568502137 /nfs/dbraw/zinc/50/21/37/568502137.db2.gz VVZSTPFSPDKUIM-FSSWDIPSSA-N -1 3 418.424 3.885 40 0 HHABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)c1 ZINC000101229118 568502143 /nfs/dbraw/zinc/50/21/43/568502143.db2.gz VVZSTPFSPDKUIM-VSKRKVRLSA-N -1 3 418.424 3.885 40 0 HHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000223269216 568543499 /nfs/dbraw/zinc/54/34/99/568543499.db2.gz ATMKBUJMNMWEGH-UHFFFAOYSA-N -1 3 422.919 3.872 40 0 HHABHM CCc1ccc(OCC[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000223852994 568560979 /nfs/dbraw/zinc/56/09/79/568560979.db2.gz XBLDNSWROMLNOD-UHFFFAOYSA-N -1 3 404.315 3.922 40 0 HHABHM Cc1ccc(OCC(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1 ZINC000226244158 569278761 /nfs/dbraw/zinc/27/87/61/569278761.db2.gz NXJVFXHAXJPHDC-UHFFFAOYSA-N -1 3 409.305 3.664 40 0 HHABHM CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1 ZINC000226244058 569278782 /nfs/dbraw/zinc/27/87/82/569278782.db2.gz PUGVKLASJUOQIS-UHFFFAOYSA-N -1 3 409.305 3.989 40 0 HHABHM CCc1ccc(OCC(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1 ZINC000226244168 569278868 /nfs/dbraw/zinc/27/88/68/569278868.db2.gz KWVLIBQHOJQCRE-UHFFFAOYSA-N -1 3 423.332 3.918 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000007361406 569337277 /nfs/dbraw/zinc/33/72/77/569337277.db2.gz DBBIBIVIKFUDOR-UHFFFAOYSA-N -1 3 418.515 3.519 40 0 HHABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000007361372 569337304 /nfs/dbraw/zinc/33/73/04/569337304.db2.gz UKCZGKDQJKZYPP-UHFFFAOYSA-N -1 3 402.516 3.603 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NC1CCCCC1 ZINC000007361658 569337406 /nfs/dbraw/zinc/33/74/06/569337406.db2.gz PZHDAGDAOPIVLV-UHFFFAOYSA-N -1 3 402.516 3.624 40 0 HHABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399198 519837683 /nfs/dbraw/zinc/83/76/83/519837683.db2.gz JUSKINDASLRPAK-KRWDZBQOSA-N -1 3 417.469 3.701 40 0 HHABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000100191855 557144950 /nfs/dbraw/zinc/14/49/50/557144950.db2.gz QKCWRQZHQLQNEA-NJYVYQBISA-N -1 3 404.422 3.729 40 0 HHABHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408590450 557499743 /nfs/dbraw/zinc/49/97/43/557499743.db2.gz GVNFFHWSMNBSLW-OAHLLOKOSA-N -1 3 424.950 3.989 40 0 HHABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408592005 557504763 /nfs/dbraw/zinc/50/47/63/557504763.db2.gz NABZNFQTSWOHMY-MRXNPFEDSA-N -1 3 404.532 3.650 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1Cl ZINC000408598121 557508208 /nfs/dbraw/zinc/50/82/08/557508208.db2.gz XCVBOJLZPSKJJN-UHFFFAOYSA-N -1 3 411.911 3.927 40 0 HHABHM CCc1cccc(C)c1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408607028 557519007 /nfs/dbraw/zinc/51/90/07/557519007.db2.gz MUXYRLALIWCYOG-ZDUSSCGKSA-N -1 3 410.923 3.525 40 0 HHABHM CSc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)c1 ZINC000408600625 557520546 /nfs/dbraw/zinc/52/05/46/557520546.db2.gz BJGUPUQMFDOKKE-AWEZNQCLSA-N -1 3 408.545 3.501 40 0 HHABHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(Cl)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004163846 557522704 /nfs/dbraw/zinc/52/27/04/557522704.db2.gz UOSHCSGYPPXMJU-IIDMSEBBSA-N -1 3 412.795 3.752 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCc2ccccc2Cl)cc1Cl ZINC000020047293 558327770 /nfs/dbraw/zinc/32/77/70/558327770.db2.gz WSMQXWQUERGSFF-UHFFFAOYSA-N -1 3 401.315 3.728 40 0 HHABHM COc1ccc(CC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1C ZINC000012761135 558461166 /nfs/dbraw/zinc/46/11/66/558461166.db2.gz GTBPQRCFWYBZEX-UHFFFAOYSA-N -1 3 418.497 3.510 40 0 HHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)ccc1OC ZINC000013678938 558565546 /nfs/dbraw/zinc/56/55/46/558565546.db2.gz QVVHGDKCTDFOLZ-UHFFFAOYSA-N -1 3 403.287 3.553 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 ZINC000016293365 558784465 /nfs/dbraw/zinc/78/44/65/558784465.db2.gz NTQPASBHKQGLMX-UHFFFAOYSA-N -1 3 424.522 3.534 40 0 HHABHM O=C(C1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019014677 558836763 /nfs/dbraw/zinc/83/67/63/558836763.db2.gz IDCANCLTPTXLHW-SFHVURJKSA-N -1 3 412.578 3.769 40 0 HHABHM Cc1ccc(CNc2nc([C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[n-]2)cc1 ZINC000019210432 558848170 /nfs/dbraw/zinc/84/81/70/558848170.db2.gz BUSSMTQBNGHBLV-LJQANCHMSA-N -1 3 402.498 3.828 40 0 HHABHM COc1cccc(CNc2nc([C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[n-]2)c1 ZINC000019235590 558854615 /nfs/dbraw/zinc/85/46/15/558854615.db2.gz VUBFIOMSIGVFCG-SFHVURJKSA-N -1 3 418.497 3.528 40 0 HHABHM Cc1ccccc1CNc1nc([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc(=O)[n-]1 ZINC000019237283 558856465 /nfs/dbraw/zinc/85/64/65/558856465.db2.gz FBXYUUYDQPWWIP-LJQANCHMSA-N -1 3 402.498 3.828 40 0 HHABHM CCCSc1ncc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cn1 ZINC000019525211 558906520 /nfs/dbraw/zinc/90/65/20/558906520.db2.gz WCGFWQJEJMEXRF-KRWDZBQOSA-N -1 3 422.558 3.504 40 0 HHABHM CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Br)s2)C3)CC1 ZINC000072335472 558936372 /nfs/dbraw/zinc/93/63/72/558936372.db2.gz FBLKCGLDQSYVCE-UHFFFAOYSA-N -1 3 423.380 3.801 40 0 HHABHM CCOc1ccc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393083 558972777 /nfs/dbraw/zinc/97/27/77/558972777.db2.gz OYWOELBBDPNZCE-LJQANCHMSA-N -1 3 420.513 3.619 40 0 HHABHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccco2)cc1Br ZINC000096305692 559109082 /nfs/dbraw/zinc/10/90/82/559109082.db2.gz BVXBZOHEOYEDLX-UHFFFAOYSA-N -1 3 409.099 3.592 40 0 HHABHM CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)c2ccccc2C)cc1)C(F)(F)F ZINC000004833030 560609148 /nfs/dbraw/zinc/60/91/48/560609148.db2.gz RIHTXGUGIYIGET-HXUWFJFHSA-N -1 3 409.404 3.975 40 0 HHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000409381649 560717260 /nfs/dbraw/zinc/71/72/60/560717260.db2.gz IDRHXOJVGNSOJW-QGZVFWFLSA-N -1 3 404.532 3.788 40 0 HHABHM CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000409411308 560721630 /nfs/dbraw/zinc/72/16/30/560721630.db2.gz FTOKKYKJJRFSGS-UHFFFAOYSA-N -1 3 402.907 3.979 40 0 HHABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000102005378 560852305 /nfs/dbraw/zinc/85/23/05/560852305.db2.gz TVDUNKYDUZOHKX-UFYCRDLUSA-N -1 3 405.841 3.786 40 0 HHABHM CC1(C)C[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c2ccccc2O1 ZINC000219286045 568489000 /nfs/dbraw/zinc/48/90/00/568489000.db2.gz NMENOQFGHQDJFH-MRXNPFEDSA-N -1 3 408.907 3.744 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc(C)c3)cc2)cc1 ZINC000222673061 568523129 /nfs/dbraw/zinc/52/31/29/568523129.db2.gz MPUAIFLLVANQPU-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(OC(C)C)cc1 ZINC000222848585 568528404 /nfs/dbraw/zinc/52/84/04/568528404.db2.gz AZABPXXDKXOFGJ-UHFFFAOYSA-N -1 3 414.321 3.723 40 0 HHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccccc1 ZINC000223129512 568538708 /nfs/dbraw/zinc/53/87/08/568538708.db2.gz VXUSHGUFGKNYOU-MRXNPFEDSA-N -1 3 416.528 3.528 40 0 HHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)c1 ZINC000223865483 568561263 /nfs/dbraw/zinc/56/12/63/568561263.db2.gz HMWLHDLBRYMAMH-UHFFFAOYSA-N -1 3 408.690 3.912 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]CCOc2cc(C)ccc2C)c(Cl)c1Cl ZINC000223997893 568565815 /nfs/dbraw/zinc/56/58/15/568565815.db2.gz DATOEXZZHVIHAV-UHFFFAOYSA-N -1 3 404.315 3.976 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]CCOc2cc(C)cc(C)c2)c(Cl)c1Cl ZINC000224070146 568568399 /nfs/dbraw/zinc/56/83/99/568568399.db2.gz CYUPMJIODYFYNX-UHFFFAOYSA-N -1 3 404.315 3.976 40 0 HHABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224598159 568587127 /nfs/dbraw/zinc/58/71/27/568587127.db2.gz YLPCQPZNYUQVLJ-KNXBSLHKSA-N -1 3 420.538 3.945 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1C ZINC000226085257 568693555 /nfs/dbraw/zinc/69/35/55/568693555.db2.gz HMPNIJWPEDMMGM-UHFFFAOYSA-N -1 3 404.532 3.645 40 0 HHABHM COc1cc(C)c(CN2CCO[C@@H](c3cncc([N-]c4ncccn4)n3)C2)c(C)c1C ZINC000257214076 568780147 /nfs/dbraw/zinc/78/01/47/568780147.db2.gz CKKXVLCLNGJOIS-OAQYLSRUSA-N -1 3 420.517 3.518 40 0 HHABHM CO[C@@H]1CCC[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)C1 ZINC000247979404 569316029 /nfs/dbraw/zinc/31/60/29/569316029.db2.gz WMHKQPFECQSXQT-XAUMDUMWSA-N -1 3 408.502 3.577 40 0 HHABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 ZINC000006362068 569331715 /nfs/dbraw/zinc/33/17/15/569331715.db2.gz YCKNWVRKJCHTCE-UHFFFAOYSA-N -1 3 411.907 3.817 40 0 HHABHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(C)n3)SC2=S)c(Cl)c1 ZINC000006965026 569336486 /nfs/dbraw/zinc/33/64/86/569336486.db2.gz UEFYGNQPRQYTEH-OQLLNIDSSA-N -1 3 403.916 3.898 40 0 HHABHM CCOc1ccccc1CCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000010110975 569342808 /nfs/dbraw/zinc/34/28/08/569342808.db2.gz GKABKOORWUXWNN-UHFFFAOYSA-N -1 3 404.351 3.820 40 0 HHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000033694384 569350997 /nfs/dbraw/zinc/35/09/97/569350997.db2.gz FGGHHNGKEOJFPD-UHFFFAOYSA-N -1 3 404.532 3.789 40 0 HHABHM COc1cc(-c2cc([N-]C(=O)c3noc4c3C[C@@H](C)CC4)on2)cc(OC)c1OC ZINC000020572112 521895935 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3.850 40 0 HHABHM Cc1cc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c(C)n1-c1cccnc1 ZINC000012089511 558324012 /nfs/dbraw/zinc/32/40/12/558324012.db2.gz LUJSDLVQXYJVTA-UHFFFAOYSA-N -1 3 412.497 3.605 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)NC(C)C ZINC000013681596 558566843 /nfs/dbraw/zinc/56/68/43/558566843.db2.gz GAYBUGMBQOHPOZ-UHFFFAOYSA-N -1 3 417.314 3.941 40 0 HHABHM COc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000014052642 558615400 /nfs/dbraw/zinc/61/54/00/558615400.db2.gz GWAUNNZAAIUZJF-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016248129 558780741 /nfs/dbraw/zinc/78/07/41/558780741.db2.gz FXDKPRJFFSAYKQ-UHFFFAOYSA-N -1 3 412.467 3.514 40 0 HHABHM CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019081352 558839624 /nfs/dbraw/zinc/83/96/24/558839624.db2.gz ZWRJTHSCOANGQM-IBGZPJMESA-N -1 3 400.567 3.830 40 0 HHABHM COc1ccc2nc(C)c(C(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2c1 ZINC000047329233 558842183 /nfs/dbraw/zinc/84/21/83/558842183.db2.gz GDCAEBYLLCKOLZ-UHFFFAOYSA-N -1 3 400.438 3.863 40 0 HHABHM COc1ccc(C)cc1CC(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019133100 558845853 /nfs/dbraw/zinc/84/58/53/558845853.db2.gz NDWFFCOLNJKZAH-FQEVSTJZSA-N -1 3 409.461 3.589 40 0 HHABHM COc1c(C)cccc1C(=O)N[C@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000019235872 558854938 /nfs/dbraw/zinc/85/49/38/558854938.db2.gz AKMGAANWWCQMSW-HXUWFJFHSA-N -1 3 421.472 3.817 40 0 HHABHM Cc1nc(C[C@H](NC(=O)c2cc(C(C)C)no2)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000019285318 558859770 /nfs/dbraw/zinc/85/97/70/558859770.db2.gz IGSNOMJKAVFPKX-KRWDZBQOSA-N -1 3 400.866 3.557 40 0 HHABHM CC(C)c1nc(C[C@H](NC(=O)c2cc(C3CC3)on2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453520 558891048 /nfs/dbraw/zinc/89/10/48/558891048.db2.gz ZQBNTMHUHGZUMN-KRWDZBQOSA-N -1 3 410.449 3.612 40 0 HHABHM COc1cccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccccc2)c1 ZINC000019564766 558924838 /nfs/dbraw/zinc/92/48/38/558924838.db2.gz WESZMXCNVCPCQN-OAQYLSRUSA-N -1 3 403.482 3.760 40 0 HHABHM COc1ccc(CN2CCC(c3cc(=O)[n-]c(-c4ccncc4)n3)CC2)cc1OC ZINC000072392699 558972481 /nfs/dbraw/zinc/97/24/81/558972481.db2.gz RTNLFOVVWJCUSD-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1csc(C(=O)Nc2ccccc2[O-])c1 ZINC000006681397 560632347 /nfs/dbraw/zinc/63/23/47/560632347.db2.gz XJDHDAGTISEANS-CYBMUJFWSA-N -1 3 414.508 3.846 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccccc1Br)[C@@]2([O-])C(F)(F)F ZINC000409176925 560687270 /nfs/dbraw/zinc/68/72/70/560687270.db2.gz BBQFIOGDPFVTOY-VPJDZLOFSA-N -1 3 405.214 3.948 40 0 HHABHM CCOc1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409392960 560719273 /nfs/dbraw/zinc/71/92/73/560719273.db2.gz UEPHLKHXAXNOHV-NSHDSACASA-N -1 3 417.314 3.698 40 0 HHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)cc1 ZINC000000983661 560726709 /nfs/dbraw/zinc/72/67/09/560726709.db2.gz AMUZLGKBMKNQNJ-UHFFFAOYSA-N -1 3 402.516 3.577 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000007361298 560750502 /nfs/dbraw/zinc/75/05/02/560750502.db2.gz IEOXDFLFMVBYFE-UHFFFAOYSA-N -1 3 402.516 3.855 40 0 HHABHM CC(C)C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 ZINC000222778480 568526295 /nfs/dbraw/zinc/52/62/95/568526295.db2.gz XXJGCDAANYCDIY-AWEZNQCLSA-N -1 3 410.565 3.588 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc2c(c1)CCC2 ZINC000223255232 568542772 /nfs/dbraw/zinc/54/27/72/568542772.db2.gz OUDAYPZMGXAMNG-GFCCVEGCSA-N -1 3 410.333 3.986 40 0 HHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1C(C)C ZINC000223931248 568563373 /nfs/dbraw/zinc/56/33/73/568563373.db2.gz SVHNHKOUSYYLHV-UHFFFAOYSA-N -1 3 417.575 3.680 40 0 HHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccccc1 ZINC000225418545 568635988 /nfs/dbraw/zinc/63/59/88/568635988.db2.gz MFMNENIWPFCMFK-MRXNPFEDSA-N -1 3 416.528 3.528 40 0 HHABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c1 ZINC000017996003 569326864 /nfs/dbraw/zinc/32/68/64/569326864.db2.gz CXQYYROFFWGQCQ-UFYCRDLUSA-N -1 3 406.463 3.808 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000007363376 569337456 /nfs/dbraw/zinc/33/74/56/569337456.db2.gz VQPIUWSWRGYPEV-UHFFFAOYSA-N -1 3 416.543 3.985 40 0 HHABHM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000010041163 569342717 /nfs/dbraw/zinc/34/27/17/569342717.db2.gz AISFJNUICONFSO-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM O=C([O-])[C@H](CNCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583168 569364331 /nfs/dbraw/zinc/36/43/31/569364331.db2.gz DMZRWKKOUPUBQM-QHCPKHFHSA-N -1 3 416.477 3.768 40 0 HHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408588988 557495386 /nfs/dbraw/zinc/49/53/86/557495386.db2.gz DJFYMMSMILPKHT-QGZVFWFLSA-N -1 3 404.532 3.644 40 0 HHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000004070130 557509470 /nfs/dbraw/zinc/50/94/70/557509470.db2.gz 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COc1cc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c(OC)cc1Cl ZINC000030850868 558739955 /nfs/dbraw/zinc/73/99/55/558739955.db2.gz IMTYMVURTWTPIP-UHFFFAOYSA-N -1 3 419.286 3.634 40 0 HHABHM Cc1cc(C(=O)NCc2ccc(-c3n[n-]cc3C(=O)N(C)c3ccccc3)cc2)on1 ZINC000019120069 558842817 /nfs/dbraw/zinc/84/28/17/558842817.db2.gz CTGXLWGZRHBWRW-UHFFFAOYSA-N -1 3 415.453 3.580 40 0 HHABHM O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019293556 558865367 /nfs/dbraw/zinc/86/53/67/558865367.db2.gz NXZQZSWDRNDMHR-OAQYLSRUSA-N -1 3 424.520 3.989 40 0 HHABHM O=C(Cc1ccc(F)cc1)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019333398 558869146 /nfs/dbraw/zinc/86/91/46/558869146.db2.gz SPXJZYQNFBYWMP-NRFANRHFSA-N -1 3 423.463 3.958 40 0 HHABHM CC(C)c1nc(C[C@@H](NC(=O)Cc2cccc(F)c2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453498 558890819 /nfs/dbraw/zinc/89/08/19/558890819.db2.gz MZTCGNXWSDCNML-HXUWFJFHSA-N -1 3 411.452 3.814 40 0 HHABHM CCSc1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4cccs4)n3)C2)cn1 ZINC000019520527 558901368 /nfs/dbraw/zinc/90/13/68/558901368.db2.gz CRQJZXOECVRVBO-OAHLLOKOSA-N -1 3 413.572 3.780 40 0 HHABHM COc1ccc(CN[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)cc1 ZINC000019555875 558918724 /nfs/dbraw/zinc/91/87/24/558918724.db2.gz AEQLYBIZUCOBDD-HSZRJFAPSA-N -1 3 412.493 3.914 40 0 HHABHM COc1ccccc1CN[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019570841 558929513 /nfs/dbraw/zinc/92/95/13/558929513.db2.gz WMIAJKFPHHEPMN-JOCHJYFZSA-N -1 3 412.493 3.914 40 0 HHABHM CN(C)c1ccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019584933 558938769 /nfs/dbraw/zinc/93/87/69/558938769.db2.gz OQOKFLJGONDPQH-HXUWFJFHSA-N -1 3 422.554 3.861 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(C)c2)cc1 ZINC000409371535 560716903 /nfs/dbraw/zinc/71/69/03/560716903.db2.gz WYTJCMYDYFOXGR-UHFFFAOYSA-N -1 3 404.532 3.645 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2)cc1 ZINC000006352387 560741165 /nfs/dbraw/zinc/74/11/65/560741165.db2.gz URLBHIZBANOWSV-UHFFFAOYSA-N -1 3 416.543 3.742 40 0 HHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000007361489 560750577 /nfs/dbraw/zinc/75/05/77/560750577.db2.gz HXCCACXVPZIQAA-UHFFFAOYSA-N -1 3 418.515 3.521 40 0 HHABHM COc1c(F)c(F)c(C(=O)[N-]c2sc3c(c2C(N)=O)CCCCC3)c(F)c1F ZINC000017090541 560865364 /nfs/dbraw/zinc/86/53/64/560865364.db2.gz DYDBDLTXVCYOFM-UHFFFAOYSA-N -1 3 416.396 3.933 40 0 HHABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c1 ZINC000005024623 568431481 /nfs/dbraw/zinc/43/14/81/568431481.db2.gz QFVMNMQOBFOZIG-VSKRKVRLSA-N -1 3 400.434 3.752 40 0 HHABHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000223623015 568553637 /nfs/dbraw/zinc/55/36/37/568553637.db2.gz CQXDVVDAUUXVMP-UHFFFAOYSA-N -1 3 419.478 3.660 40 0 HHABHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000223670100 568555663 /nfs/dbraw/zinc/55/56/63/568555663.db2.gz AZFLTMKTOIBLCG-UHFFFAOYSA-N -1 3 413.826 3.563 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]CCOc2ccc(C)c(C)c2)c(Cl)c1Cl ZINC000223853223 568560964 /nfs/dbraw/zinc/56/09/64/568560964.db2.gz BUOBRTJRCXHQOE-UHFFFAOYSA-N -1 3 404.315 3.976 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O ZINC000224963714 568606196 /nfs/dbraw/zinc/60/61/96/568606196.db2.gz DOSJDGIUCJUQIT-UHFFFAOYSA-N -1 3 413.543 3.913 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(C)c2)cc1C ZINC000226056110 568692457 /nfs/dbraw/zinc/69/24/57/568692457.db2.gz XFGSBPXCJKESTO-UHFFFAOYSA-N -1 3 418.559 3.954 40 0 HHABHM O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1cc(Cl)ccc1[O-] ZINC000016920373 569047126 /nfs/dbraw/zinc/04/71/26/569047126.db2.gz UQFDFHMBESPEJJ-CHHVJCJISA-N -1 3 406.822 3.860 40 0 HHABHM Cc1cc(C)cc(OCC(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c1 ZINC000226244242 569278778 /nfs/dbraw/zinc/27/87/78/569278778.db2.gz XZQKWRBHSKOAEC-UHFFFAOYSA-N -1 3 423.332 3.972 40 0 HHABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c1 ZINC000004171814 569321779 /nfs/dbraw/zinc/32/17/79/569321779.db2.gz CXQYYROFFWGQCQ-AQNXPRMDSA-N -1 3 406.463 3.808 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)c1ccccc1 ZINC000009974615 569342653 /nfs/dbraw/zinc/34/26/53/569342653.db2.gz FFVWFRSVNJAOGT-NWDGAFQWSA-N -1 3 401.315 3.538 40 0 HHABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1Br)N2 ZINC000020034193 569349332 /nfs/dbraw/zinc/34/93/32/569349332.db2.gz FDUXFMPXUBRGDL-XDMRBOTDSA-N -1 3 405.214 3.948 40 0 HHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000033797349 569351366 /nfs/dbraw/zinc/35/13/66/569351366.db2.gz ZOTXSQDLSDGTJY-KRWDZBQOSA-N -1 3 404.532 3.788 40 0 HHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000033797348 569351420 /nfs/dbraw/zinc/35/14/20/569351420.db2.gz ZOTXSQDLSDGTJY-QGZVFWFLSA-N -1 3 404.532 3.788 40 0 HHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 ZINC000108030142 569353292 /nfs/dbraw/zinc/35/32/92/569353292.db2.gz YRKJMFLZXPEVKU-UHFFFAOYSA-N -1 3 416.543 3.932 40 0 HHABHM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccncc1 ZINC000012916573 569405024 /nfs/dbraw/zinc/40/50/24/569405024.db2.gz XJZAFMJCRHXMSW-NJDAHSKKSA-N -1 3 403.413 3.580 40 0 HHABHM Cc1nc([N-]c2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)sc1C ZINC000585293322 571309863 /nfs/dbraw/zinc/30/98/63/571309863.db2.gz ZUCRDJNRIQNULL-KXPUMZMLSA-N -1 3 409.515 4.306 40 0 HHABHM Cc1ccc(CSCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000044839723 524646539 /nfs/dbraw/zinc/64/65/39/524646539.db2.gz SGRWTYRRTKFQFD-UHFFFAOYSA-N -1 3 412.964 3.683 40 0 HHABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)c1 ZINC000040399341 524648285 /nfs/dbraw/zinc/64/82/85/524648285.db2.gz NJHNPJGHXRPSNS-OAHLLOKOSA-N -1 3 423.860 3.540 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccccc2F)c(Cl)c1 ZINC000044899999 525216777 /nfs/dbraw/zinc/21/67/77/525216777.db2.gz VXGVUFOBDURECN-UHFFFAOYSA-N -1 3 416.927 3.514 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2Cl)CC(=O)N3)cc1 ZINC000040400454 525328811 /nfs/dbraw/zinc/32/88/11/525328811.db2.gz BPWMDXNPBZPIJD-CYBMUJFWSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000040400375 525329225 /nfs/dbraw/zinc/32/92/25/525329225.db2.gz VSGLDTLLAVFEIA-KRWDZBQOSA-N -1 3 417.469 3.503 40 0 HHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408588986 557495483 /nfs/dbraw/zinc/49/54/83/557495483.db2.gz DJFYMMSMILPKHT-KRWDZBQOSA-N -1 3 404.532 3.644 40 0 HHABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408591063 557503085 /nfs/dbraw/zinc/50/30/85/557503085.db2.gz IDUMVCCSGYYQOF-OAHLLOKOSA-N -1 3 424.950 3.989 40 0 HHABHM CCc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408591081 557503184 /nfs/dbraw/zinc/50/31/84/557503184.db2.gz IHWTZTRFRYPEJV-MRXNPFEDSA-N -1 3 404.532 3.589 40 0 HHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c1 ZINC000408594874 557512537 /nfs/dbraw/zinc/51/25/37/557512537.db2.gz PPICLLMUVJOZAV-KRWDZBQOSA-N -1 3 404.532 3.644 40 0 HHABHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408597332 557516706 /nfs/dbraw/zinc/51/67/06/557516706.db2.gz YPXUKMVMJAEGJV-CQSZACIVSA-N -1 3 410.923 3.741 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000408601845 557522474 /nfs/dbraw/zinc/52/24/74/557522474.db2.gz BXEXYXQDWQRUAF-CQSZACIVSA-N -1 3 410.923 3.579 40 0 HHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000004263606 557533281 /nfs/dbraw/zinc/53/32/81/557533281.db2.gz AWYACEIVBOFBHB-BDTNDASRSA-N -1 3 418.424 3.885 40 0 HHABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)NC1CCCCC1 ZINC000408610087 557533524 /nfs/dbraw/zinc/53/35/24/557533524.db2.gz NNRDYDFTUDLOLQ-OAHLLOKOSA-N -1 3 420.506 3.843 40 0 HHABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc(Cl)c1[O-] ZINC000005007570 557624795 /nfs/dbraw/zinc/62/47/95/557624795.db2.gz VYUAAMDFENPJKF-MDWZMJQESA-N -1 3 413.879 3.822 40 0 HHABHM CC(C)(CN1CCCCC1)C(=O)C[C@H](SCCS(=O)(=O)[O-])c1ccccc1 ZINC000005714968 557669943 /nfs/dbraw/zinc/66/99/43/557669943.db2.gz YCBDINIVTFNIDF-SFHVURJKSA-N -1 3 413.605 3.820 40 0 HHABHM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408675082 557675281 /nfs/dbraw/zinc/67/52/81/557675281.db2.gz GHYJEUHGBQQIFU-UHFFFAOYSA-N -1 3 410.923 3.696 40 0 HHABHM C[C@@H]1CCc2c(sc([N-]C(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 ZINC000006201406 557693989 /nfs/dbraw/zinc/69/39/89/557693989.db2.gz DUTLIANFWGFUPY-RXMQYKEDSA-N -1 3 404.360 3.920 40 0 HHABHM COc1ccc(CCC(=O)N2CCC(c3nc(-c4ccncc4)cc(=O)[n-]3)CC2)cc1 ZINC000012256584 558362733 /nfs/dbraw/zinc/36/27/33/558362733.db2.gz YRVKIKMJMCVWLM-UHFFFAOYSA-N -1 3 418.497 3.592 40 0 HHABHM COc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000015924047 558762157 /nfs/dbraw/zinc/76/21/57/558762157.db2.gz VLUZXTYQKDEMCA-UHFFFAOYSA-N -1 3 414.458 3.565 40 0 HHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccco3)cc2Cl)cc1 ZINC000038756483 558814835 /nfs/dbraw/zinc/81/48/35/558814835.db2.gz GQDFOXWZNQSQFR-UHFFFAOYSA-N -1 3 404.875 3.972 40 0 HHABHM Cc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019209929 558848196 /nfs/dbraw/zinc/84/81/96/558848196.db2.gz GADBZLBGVGXQCK-NRFANRHFSA-N -1 3 400.482 3.511 40 0 HHABHM Cc1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)s1 ZINC000019217080 558850653 /nfs/dbraw/zinc/85/06/53/558850653.db2.gz MNLFTIKOKDUMNP-IBGZPJMESA-N -1 3 416.506 3.916 40 0 HHABHM COc1c(C)cccc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000019235871 558854956 /nfs/dbraw/zinc/85/49/56/558854956.db2.gz AKMGAANWWCQMSW-FQEVSTJZSA-N -1 3 421.472 3.817 40 0 HHABHM O=C(Cc1ccccc1F)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019348190 558873987 /nfs/dbraw/zinc/87/39/87/558873987.db2.gz BWSTUKLVJQXMBF-NRFANRHFSA-N -1 3 423.463 3.958 40 0 HHABHM CC(C)c1nc(C[C@@H](NC(=O)Cc2ccccc2F)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453502 558890772 /nfs/dbraw/zinc/89/07/72/558890772.db2.gz VGGWAUSEKLJDCK-HXUWFJFHSA-N -1 3 411.452 3.814 40 0 HHABHM CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019499846 558897751 /nfs/dbraw/zinc/89/77/51/558897751.db2.gz IGIJKYZXMNJXEO-UZLBHIALSA-N -1 3 400.567 3.830 40 0 HHABHM COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c(OC)c1 ZINC000019552327 558915889 /nfs/dbraw/zinc/91/58/89/558915889.db2.gz JPJZNBOYABCUIA-HXUWFJFHSA-N -1 3 406.486 3.989 40 0 HHABHM COc1ccc(CN2CCC(c3cc(=O)[n-]c(-c4ccccn4)n3)CC2)c(OC)c1 ZINC000019552222 558915926 /nfs/dbraw/zinc/91/59/26/558915926.db2.gz HUJYABJZPZLKSL-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM COc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1OC ZINC000019561031 558921988 /nfs/dbraw/zinc/92/19/88/558921988.db2.gz PBTIEZRENFXAJL-IBGZPJMESA-N -1 3 406.486 3.989 40 0 HHABHM CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000072399116 558976499 /nfs/dbraw/zinc/97/64/99/558976499.db2.gz HDBGDLYGPLDCSN-SFHVURJKSA-N -1 3 400.548 3.656 40 0 HHABHM COc1ccccc1CNc1nc(C2CCN(Cc3cccnc3)CC2)cc(=O)[n-]1 ZINC000019717533 558980326 /nfs/dbraw/zinc/98/03/26/558980326.db2.gz YRMGKJUPDUCUIT-UHFFFAOYSA-N -1 3 405.502 3.578 40 0 HHABHM CCOc1ccccc1C(=O)[N-]n1c(Cc2cccs2)nc2ccccc2c1=O ZINC000004891197 560615435 /nfs/dbraw/zinc/61/54/35/560615435.db2.gz PHUVABAEPOLMFR-UHFFFAOYSA-N -1 3 405.479 3.831 40 0 HHABHM CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccccc2[O-])c1 ZINC000006680984 560634081 /nfs/dbraw/zinc/63/40/81/560634081.db2.gz DEVHQUSXDUEJBO-UHFFFAOYSA-N -1 3 402.497 3.527 40 0 HHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1 ZINC000409375795 560716235 /nfs/dbraw/zinc/71/62/35/560716235.db2.gz PJHQBJAFKUMWLU-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(=O)N1CCCCC1 ZINC000007361466 560750438 /nfs/dbraw/zinc/75/04/38/560750438.db2.gz JVFBGNVHODTZJZ-UHFFFAOYSA-N -1 3 402.516 3.739 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000007376047 560750533 /nfs/dbraw/zinc/75/05/33/560750533.db2.gz ZPQUCXALKAEYLB-UHFFFAOYSA-N -1 3 404.713 3.632 40 0 HHABHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000007361500 560750574 /nfs/dbraw/zinc/75/05/74/560750574.db2.gz DFBLGINAMAMVOR-UHFFFAOYSA-N -1 3 402.516 3.685 40 0 HHABHM CCc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000013037741 560791771 /nfs/dbraw/zinc/79/17/71/560791771.db2.gz CMQKVNGXBJDBNQ-SQGPQFPESA-N -1 3 406.404 3.661 40 0 HHABHM O=c1c2c3c(c[n-]c-2nn1-c1nc2ccccc2s1)C(=O)C[C@H](c1ccco1)C3 ZINC000014163955 560839639 /nfs/dbraw/zinc/83/96/39/560839639.db2.gz WRUCSPQKGFGMIG-LLVKDONJSA-N -1 3 402.435 3.829 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(Cl)c1 ZINC000033744412 560858490 /nfs/dbraw/zinc/85/84/90/560858490.db2.gz JRAOHOKRSWYKLW-SECBINFHSA-N -1 3 407.706 3.952 40 0 HHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 ZINC000222685173 568523710 /nfs/dbraw/zinc/52/37/10/568523710.db2.gz KRCUOXDUUBBKSD-UHFFFAOYSA-N -1 3 410.495 3.838 40 0 HHABHM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000223631057 568554119 /nfs/dbraw/zinc/55/41/19/568554119.db2.gz SMOINEAFCFLGNM-UHFFFAOYSA-N -1 3 412.298 3.971 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCCC3)ccc2C)cc1 ZINC000224058277 568568200 /nfs/dbraw/zinc/56/82/00/568568200.db2.gz BVPBTLYTWRIHOY-UHFFFAOYSA-N -1 3 402.516 3.821 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)c(C)c1C ZINC000224386681 568579781 /nfs/dbraw/zinc/57/97/81/568579781.db2.gz NCCMHKOJIKYWGN-UHFFFAOYSA-N -1 3 417.268 3.717 40 0 HHABHM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224522173 568583520 /nfs/dbraw/zinc/58/35/20/568583520.db2.gz WQZSKARIEPCWNB-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM Cn1c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2sc1=O ZINC000225044506 568610920 /nfs/dbraw/zinc/61/09/20/568610920.db2.gz GVMRCCBLVGZSEP-UHFFFAOYSA-N -1 3 403.312 3.849 40 0 HHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccccc1 ZINC000225418587 568635915 /nfs/dbraw/zinc/63/59/15/568635915.db2.gz MFMNENIWPFCMFK-INIZCTEOSA-N -1 3 416.528 3.528 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)COc1ccccc1C ZINC000225841350 568679690 /nfs/dbraw/zinc/67/96/90/568679690.db2.gz JSQLRDONCUBCBJ-ZDUSSCGKSA-N -1 3 414.321 3.512 40 0 HHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 ZINC000225963709 568689053 /nfs/dbraw/zinc/68/90/53/568689053.db2.gz PDXAAFGPDKLWHN-LBPRGKRZSA-N -1 3 423.332 3.802 40 0 HHABHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000059416472 568705447 /nfs/dbraw/zinc/70/54/47/568705447.db2.gz TUDSFKRHGKIRNS-SJLPKXTDSA-N -1 3 416.264 3.625 40 0 HHABHM O=C(Nc1ccccn1)c1cc(S(=O)(=O)[N-]C2CCCC2)c(Cl)cc1Cl ZINC000027986946 568775582 /nfs/dbraw/zinc/77/55/82/568775582.db2.gz OBJWFJUPTRRJQO-UHFFFAOYSA-N -1 3 414.314 3.862 40 0 HHABHM CC(=O)Cc1nsc([N-]C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000026770363 569047845 /nfs/dbraw/zinc/04/78/45/569047845.db2.gz JMMTXFCFPQDFNF-UHFFFAOYSA-N -1 3 403.467 3.775 40 0 HHABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000253572671 569318046 /nfs/dbraw/zinc/31/80/46/569318046.db2.gz QLTSFQSGMBTDJL-IAGOWNOFSA-N -1 3 423.517 3.578 40 0 HHABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(F)cc1 ZINC000038173399 569351700 /nfs/dbraw/zinc/35/17/00/569351700.db2.gz LUGXTDYIQMGXAE-UHFFFAOYSA-N -1 3 423.267 3.810 40 0 HHABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(F)cc1 ZINC000038173399 569351701 /nfs/dbraw/zinc/35/17/01/569351701.db2.gz LUGXTDYIQMGXAE-UHFFFAOYSA-N -1 3 423.267 3.810 40 0 HHABHM O=C(NCC1CCC(c2ccnc([N-]c3cnccn3)n2)CC1)c1ccc(F)cc1 ZINC000072377533 569352493 /nfs/dbraw/zinc/35/24/93/569352493.db2.gz VVDUFQUKTCDCDV-UHFFFAOYSA-N -1 3 406.465 3.853 40 0 HHABHM CCc1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000107909410 569353142 /nfs/dbraw/zinc/35/31/42/569353142.db2.gz HRRNFVHCMPZDOA-NSHDSACASA-N -1 3 401.315 3.861 40 0 HHABHM O=S(=O)(Cc1ccccc1)[N-]c1cnn(Cc2ccc(Br)cc2)c1 ZINC000014230988 962450977 /nfs/dbraw/zinc/45/09/77/962450977.db2.gz GXAPWHBOCGNYSE-UHFFFAOYSA-N -1 3 406.305 3.636 40 0 HHABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399166 525262741 /nfs/dbraw/zinc/26/27/41/525262741.db2.gz SPPUJIGTQDCANJ-AWEZNQCLSA-N -1 3 423.860 3.540 40 0 HHABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408586124 557489947 /nfs/dbraw/zinc/48/99/47/557489947.db2.gz AIYBBMZTSPGOJN-INIZCTEOSA-N -1 3 418.559 3.904 40 0 HHABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408584447 557490221 /nfs/dbraw/zinc/49/02/21/557490221.db2.gz PUUQLFHXQFRKTG-UHFFFAOYSA-N -1 3 410.923 3.744 40 0 HHABHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408593173 557506980 /nfs/dbraw/zinc/50/69/80/557506980.db2.gz PITHFYUYJUGMHT-CQSZACIVSA-N -1 3 410.923 3.741 40 0 HHABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c(C)c1 ZINC000408595383 557512582 /nfs/dbraw/zinc/51/25/82/557512582.db2.gz QCNHQHCLJUGAFA-GOSISDBHSA-N -1 3 418.559 3.952 40 0 HHABHM Cc1ccc(C([O-])=C2[C@H](c3ccc(Cl)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004163844 557522649 /nfs/dbraw/zinc/52/26/49/557522649.db2.gz UOSHCSGYPPXMJU-RVKKMQEKSA-N -1 3 412.795 3.752 40 0 HHABHM CCCCc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000408609884 557533198 /nfs/dbraw/zinc/53/31/98/557533198.db2.gz SKJMEPFUORXFKN-AWEZNQCLSA-N -1 3 424.950 3.997 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000408674932 557675145 /nfs/dbraw/zinc/67/51/45/557675145.db2.gz FDDQJQDTDZSPRE-UHFFFAOYSA-N -1 3 422.934 3.841 40 0 HHABHM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000006433584 557702250 /nfs/dbraw/zinc/70/22/50/557702250.db2.gz GEEGJAWOOPOEMO-UHFFFAOYSA-N -1 3 414.458 3.565 40 0 HHABHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)ccc2N1 ZINC000007373215 557739947 /nfs/dbraw/zinc/73/99/47/557739947.db2.gz LQUPXXALLUCGLF-UHFFFAOYSA-N -1 3 408.479 3.951 40 0 HHABHM Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020019958 558321170 /nfs/dbraw/zinc/32/11/70/558321170.db2.gz JZDUKWOTHNYXKQ-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM COc1ccc(CCC(=O)N2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000012256889 558362931 /nfs/dbraw/zinc/36/29/31/558362931.db2.gz SVYRSKUXBGGGMZ-IBGZPJMESA-N -1 3 418.497 3.592 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1N1CCCC1=O ZINC000020452289 558366587 /nfs/dbraw/zinc/36/65/87/558366587.db2.gz QZJWRNXKLAOGEA-UHFFFAOYSA-N -1 3 415.298 3.930 40 0 HHABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)CC)cc2)cc1Cl ZINC000020458581 558371501 /nfs/dbraw/zinc/37/15/01/558371501.db2.gz FEOUNXFVMRWIMT-UHFFFAOYSA-N -1 3 410.879 3.531 40 0 HHABHM Cc1ccc2c(CC(=O)N[C@@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)coc2c1 ZINC000019221653 558851934 /nfs/dbraw/zinc/85/19/34/558851934.db2.gz AKWPSVZVZZNMPF-NRFANRHFSA-N -1 3 419.456 3.915 40 0 HHABHM O=C(c1ccc(F)c(F)c1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019292788 558864469 /nfs/dbraw/zinc/86/44/69/558864469.db2.gz TVQGPHRGORWJHA-UHFFFAOYSA-N -1 3 401.438 3.796 40 0 HHABHM O=c1cc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2cnccn2)[n-]1 ZINC000019292894 558864796 /nfs/dbraw/zinc/86/47/96/558864796.db2.gz IJHLTRMINBBYHH-CQSZACIVSA-N -1 3 416.312 3.913 40 0 HHABHM O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1)C1CCCC1 ZINC000019332556 558868962 /nfs/dbraw/zinc/86/89/62/558868962.db2.gz GKHMCKYMISYHCN-FQEVSTJZSA-N -1 3 406.461 3.561 40 0 HHABHM CN(C)c1cccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)c1 ZINC000019585031 558938826 /nfs/dbraw/zinc/93/88/26/558938826.db2.gz VGARAGOKKNKBMZ-UHFFFAOYSA-N -1 3 408.527 3.584 40 0 HHABHM CN(C(=O)c1c[n-]nc1-c1ccc(CNC(=O)c2ccccn2)cc1)c1ccccc1 ZINC000019586782 558939698 /nfs/dbraw/zinc/93/96/98/558939698.db2.gz KNTZJNSRRIXYQP-UHFFFAOYSA-N -1 3 411.465 3.678 40 0 HHABHM COCCOc1cccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)c1 ZINC000019593793 558944839 /nfs/dbraw/zinc/94/48/39/558944839.db2.gz VOPDTBQEGVUCEW-JOCHJYFZSA-N -1 3 420.513 3.997 40 0 HHABHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)c(Cl)c1 ZINC000008369835 559281158 /nfs/dbraw/zinc/28/11/58/559281158.db2.gz JBEDGMYSKUJULD-OQLLNIDSSA-N -1 3 404.900 3.900 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccccc1Br)[C@]2([O-])C(F)(F)F ZINC000409176923 560687253 /nfs/dbraw/zinc/68/72/53/560687253.db2.gz BBQFIOGDPFVTOY-BPYAMOTFSA-N -1 3 405.214 3.948 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(Br)cc1)[C@]2([O-])C(F)(F)F ZINC000409180526 560688405 /nfs/dbraw/zinc/68/84/05/560688405.db2.gz WLNPEZRBRLGEEH-MURWCNHISA-N -1 3 405.214 3.948 40 0 HHABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(Cl)c1[O-] ZINC000409212373 560695682 /nfs/dbraw/zinc/69/56/82/560695682.db2.gz QRDQGVLDZORQQO-AUWJEWJLSA-N -1 3 413.879 3.680 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCCCC1 ZINC000409391283 560718997 /nfs/dbraw/zinc/71/89/97/560718997.db2.gz MKDDGGJBSCGUAG-UHFFFAOYSA-N -1 3 408.907 3.532 40 0 HHABHM CCC[C@H]1[C@H]2C(=O)N(c3ccccc3Br)C([O-])=C2ON1c1ccccc1 ZINC000102722000 560731581 /nfs/dbraw/zinc/73/15/81/560731581.db2.gz JPAGAUXKVTXNOI-RCCFBDPRSA-N -1 3 415.287 3.928 40 0 HHABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706417 560732017 /nfs/dbraw/zinc/73/20/17/560732017.db2.gz XIRGTAFIESYEAK-FDFHNCONSA-N -1 3 418.424 3.885 40 0 HHABHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000103769341 560734641 /nfs/dbraw/zinc/73/46/41/560734641.db2.gz TUDSFKRHGKIRNS-FUHWJXTLSA-N -1 3 416.264 3.625 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1I ZINC000109016366 560755279 /nfs/dbraw/zinc/75/52/79/560755279.db2.gz ZVKIUJUXDDKCNT-UHFFFAOYSA-N -1 3 417.268 3.717 40 0 HHABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c1 ZINC000097951958 560756796 /nfs/dbraw/zinc/75/67/96/560756796.db2.gz QFVMNMQOBFOZIG-BDTNDASRSA-N -1 3 400.434 3.752 40 0 HHABHM Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1Cc1ccccc1Cl ZINC000013639819 560826361 /nfs/dbraw/zinc/82/63/61/560826361.db2.gz OYTFQMBTURQVNB-UHFFFAOYSA-N -1 3 408.933 3.645 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCc1ccc(F)cc1 ZINC000223010803 568534226 /nfs/dbraw/zinc/53/42/26/568534226.db2.gz SULXDVPEKNWYBB-UHFFFAOYSA-N -1 3 402.285 3.508 40 0 HHABHM COc1cc(C)c([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C(C)C ZINC000223300448 568544536 /nfs/dbraw/zinc/54/45/36/568544536.db2.gz JCYAKGBHSQOQNA-HNNXBMFYSA-N -1 3 404.532 3.990 40 0 HHABHM Cc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000223647212 568554753 /nfs/dbraw/zinc/55/47/53/568554753.db2.gz XLHLBXMKLZGMKM-UHFFFAOYSA-N -1 3 412.298 3.971 40 0 HHABHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)cc3)ccc2O1 ZINC000223665950 568555510 /nfs/dbraw/zinc/55/55/10/568555510.db2.gz ZCTAYFKGADIOCK-UHFFFAOYSA-N -1 3 400.500 3.718 40 0 HHABHM Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)cc1 ZINC000223775657 568558734 /nfs/dbraw/zinc/55/87/34/568558734.db2.gz BXUTVGCCIQPJOM-UHFFFAOYSA-N -1 3 413.499 3.627 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCc3ccccc3)ccc2C)cc1 ZINC000224056386 568568020 /nfs/dbraw/zinc/56/80/20/568568020.db2.gz AHYGLCWTESENEC-UHFFFAOYSA-N -1 3 424.522 3.777 40 0 HHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225152306 568618358 /nfs/dbraw/zinc/61/83/58/568618358.db2.gz PIQYEECRFWOUPE-UHFFFAOYSA-N -1 3 419.528 3.658 40 0 HHABHM Cc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)[n-]c(=O)n1 ZINC000257298857 568803996 /nfs/dbraw/zinc/80/39/96/568803996.db2.gz RNNKHYADVYZVHQ-HNNXBMFYSA-N -1 3 412.877 3.743 40 0 HHABHM CCN1CCC[C@]2(CN(Cc3ccc([O-])c(C(F)(F)F)c3)CC(F)(F)C2)C1=O ZINC000306138716 568900701 /nfs/dbraw/zinc/90/07/01/568900701.db2.gz SFLPHRXZNSLMJL-KRWDZBQOSA-N -1 3 406.395 3.881 40 0 HHABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000013136439 569211504 /nfs/dbraw/zinc/21/15/04/569211504.db2.gz QKCWRQZHQLQNEA-HKBOAZHASA-N -1 3 404.422 3.729 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1ccccc1F ZINC000006213816 569329942 /nfs/dbraw/zinc/32/99/42/569329942.db2.gz PXPVSUGJSKDTKL-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000006763167 569334709 /nfs/dbraw/zinc/33/47/09/569334709.db2.gz AWUJXRFOSSUAMU-VIFPVBQESA-N -1 3 407.706 3.952 40 0 HHABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2Cl)cc1OCC ZINC000008041372 569339198 /nfs/dbraw/zinc/33/91/98/569339198.db2.gz WNNQIXAPAGRIFN-UHFFFAOYSA-N -1 3 413.879 3.725 40 0 HHABHM CSc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000008169641 569339783 /nfs/dbraw/zinc/33/97/83/569339783.db2.gz QLEFUKIXWAJGRD-UHFFFAOYSA-N -1 3 405.328 3.632 40 0 HHABHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000009974618 569342625 /nfs/dbraw/zinc/34/26/25/569342625.db2.gz FFVWFRSVNJAOGT-NEPJUHHUSA-N -1 3 401.315 3.538 40 0 HHABHM CC(C)Oc1ccc(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000044849585 519779052 /nfs/dbraw/zinc/77/90/52/519779052.db2.gz WHXYONGLRGTMKY-UHFFFAOYSA-N -1 3 424.950 3.861 40 0 HHABHM CCn1c(SCC(=O)Nc2cc(Cl)ccc2[O-])nnc1-c1ccccc1O ZINC000408544181 557361032 /nfs/dbraw/zinc/36/10/32/557361032.db2.gz SNMJBTBPEMJOMV-UHFFFAOYSA-N -1 3 404.879 3.760 40 0 HHABHM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408584685 557487866 /nfs/dbraw/zinc/48/78/66/557487866.db2.gz SYVULVTVFDYLAX-UHFFFAOYSA-N -1 3 410.923 3.696 40 0 HHABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408592003 557504757 /nfs/dbraw/zinc/50/47/57/557504757.db2.gz NABZNFQTSWOHMY-INIZCTEOSA-N -1 3 404.532 3.650 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)C)cc2)cc1Cl ZINC000408594464 557512110 /nfs/dbraw/zinc/51/21/10/557512110.db2.gz SGADRGPIQAJGHL-UHFFFAOYSA-N -1 3 410.923 3.600 40 0 HHABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000006706930 557716572 /nfs/dbraw/zinc/71/65/72/557716572.db2.gz SLUKURGTSXVLIT-KRWDZBQOSA-N -1 3 410.495 3.744 40 0 HHABHM COc1ccc(CCC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1 ZINC000012256385 558362676 /nfs/dbraw/zinc/36/26/76/558362676.db2.gz JQPSDTNRUPNIBS-UHFFFAOYSA-N -1 3 418.497 3.592 40 0 HHABHM O=C(CCc1ccccc1F)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012257010 558362979 /nfs/dbraw/zinc/36/29/79/558362979.db2.gz YCCUPVROBUFQCZ-GOSISDBHSA-N -1 3 406.461 3.722 40 0 HHABHM COc1cccc(CN2CCC(c3nc(-c4ccncc4)cc(=O)[n-]3)CC2)c1OC ZINC000012330000 558384838 /nfs/dbraw/zinc/38/48/38/558384838.db2.gz RBENKWLQCRLWLY-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1NC(C)=O ZINC000028260568 558694090 /nfs/dbraw/zinc/69/40/90/558694090.db2.gz WOUDWBMUKBJFSK-UHFFFAOYSA-N -1 3 404.488 3.776 40 0 HHABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000100889378 558800476 /nfs/dbraw/zinc/80/04/76/558800476.db2.gz ABBALDGNDSAVGV-FKBYEOEOSA-N -1 3 400.434 3.746 40 0 HHABHM Cc1ccccc1CSCCNC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000038755686 558814563 /nfs/dbraw/zinc/81/45/63/558814563.db2.gz JOPKNPCCQNMKEK-UHFFFAOYSA-N -1 3 412.964 3.683 40 0 HHABHM Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)CC2)cc1 ZINC000019136833 558846476 /nfs/dbraw/zinc/84/64/76/558846476.db2.gz LBRZGJNJSYYWOG-OAQYLSRUSA-N -1 3 420.557 3.652 40 0 HHABHM Cc1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)cc1F ZINC000019214473 558849782 /nfs/dbraw/zinc/84/97/82/558849782.db2.gz RHLXCYZDVLNKKI-HXUWFJFHSA-N -1 3 409.436 3.948 40 0 HHABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N(C)CCc4ccccc4)n3)CC2=O)c1C ZINC000019235550 558854563 /nfs/dbraw/zinc/85/45/63/558854563.db2.gz URPVUFSETUTADQ-HXUWFJFHSA-N -1 3 416.525 3.586 40 0 HHABHM O=C(Cc1cccc(F)c1)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019293743 558865510 /nfs/dbraw/zinc/86/55/10/558865510.db2.gz OKRCPQYBOKIYKZ-OAQYLSRUSA-N -1 3 423.463 3.958 40 0 HHABHM O=C(CCCc1ccncc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019344258 558872820 /nfs/dbraw/zinc/87/28/20/558872820.db2.gz YXEHZRKEQLCPDP-QGZVFWFLSA-N -1 3 408.527 3.622 40 0 HHABHM CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019499820 558897826 /nfs/dbraw/zinc/89/78/26/558897826.db2.gz ADSQQGFMIKJEGU-HZPDHXFCSA-N -1 3 414.575 3.554 40 0 HHABHM COc1ccc([C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)NC(=O)c2ccccc2)cc1 ZINC000019553300 558916523 /nfs/dbraw/zinc/91/65/23/558916523.db2.gz RHUNENWCBYQLLX-NRFANRHFSA-N -1 3 403.482 3.760 40 0 HHABHM COc1ccc(-c2csc([N-]C(=O)c3cc(-c4cnn(C)c4C)no3)n2)cc1F ZINC000019554268 558917203 /nfs/dbraw/zinc/91/72/03/558917203.db2.gz ZLJSFDDYPSKLKD-UHFFFAOYSA-N -1 3 413.434 3.907 40 0 HHABHM COc1cccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c1OC ZINC000019567883 558927061 /nfs/dbraw/zinc/92/70/61/558927061.db2.gz MLQJGEGIRTTZBV-LJQANCHMSA-N -1 3 406.486 3.989 40 0 HHABHM COc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019569614 558928531 /nfs/dbraw/zinc/92/85/31/558928531.db2.gz SBQPPNXADKMPLD-GOSISDBHSA-N -1 3 409.511 3.803 40 0 HHABHM Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019577459 558933074 /nfs/dbraw/zinc/93/30/74/558933074.db2.gz VSAROLQMFRJJSR-IBGZPJMESA-N -1 3 412.582 3.534 40 0 HHABHM COc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000019579321 558934931 /nfs/dbraw/zinc/93/49/31/558934931.db2.gz FZWKWWKWJZWBPC-OAQYLSRUSA-N -1 3 417.509 3.584 40 0 HHABHM Cc1onc(C(C)C)c1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019579582 558935205 /nfs/dbraw/zinc/93/52/05/558935205.db2.gz JRSNWNCBXHHNBH-GOSISDBHSA-N -1 3 419.485 3.693 40 0 HHABHM COCCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000019593718 558944920 /nfs/dbraw/zinc/94/49/20/558944920.db2.gz BSHRAHJMSWBMBK-JOCHJYFZSA-N -1 3 420.513 3.584 40 0 HHABHM COc1ccc(CN2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[n-]n4c2=O)C3)cc1OC(C)C ZINC000072373131 558960857 /nfs/dbraw/zinc/96/08/57/558960857.db2.gz DKLYDRPNHJYBIL-ZWKOTPCHSA-N -1 3 422.529 3.671 40 0 HHABHM Cc1nn(C)cc1-c1ccc2c(c1)C1(CN2C(=O)c2cccc([O-])c2)CCOCC1 ZINC000585105779 559026892 /nfs/dbraw/zinc/02/68/92/559026892.db2.gz LEXCLAFLYJANDB-UHFFFAOYSA-N -1 3 403.482 3.810 40 0 HHABHM COc1cccc2[nH]c(C[C@H]3CN(Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289341 560032961 /nfs/dbraw/zinc/03/29/61/560032961.db2.gz QQBBTDPAOXZWDO-IRXDYDNUSA-N -1 3 411.477 3.866 40 0 biogenic,in-vitro HHABHM O=C(CN1C(=O)S/C(=C\c2cc(Cl)ccc2[O-])C1=O)Nc1ccccc1F ZINC000408932595 560656105 /nfs/dbraw/zinc/65/61/05/560656105.db2.gz XWPNUIBXUILUAI-NVNXTCNLSA-N -1 3 406.822 3.860 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1cccc(Br)c1)[C@]2([O-])C(F)(F)F ZINC000409180050 560686754 /nfs/dbraw/zinc/68/67/54/560686754.db2.gz VXAGWFGBOYBZGX-DDHOLCJHSA-N -1 3 405.214 3.948 40 0 HHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000409381645 560717222 /nfs/dbraw/zinc/71/72/22/560717222.db2.gz IDRHXOJVGNSOJW-KRWDZBQOSA-N -1 3 404.532 3.788 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)N1CCCCCC1 ZINC000113939440 560806444 /nfs/dbraw/zinc/80/64/44/560806444.db2.gz WJDPAQNCXYNYMO-UHFFFAOYSA-N -1 3 424.469 3.790 40 0 HHABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004937760 568425253 /nfs/dbraw/zinc/42/52/53/568425253.db2.gz ABBALDGNDSAVGV-FSSWDIPSSA-N -1 3 400.434 3.746 40 0 HHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1C ZINC000223199206 568540915 /nfs/dbraw/zinc/54/09/15/568540915.db2.gz UVQNASANMQKHBJ-INIZCTEOSA-N -1 3 416.528 3.528 40 0 HHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1 ZINC000223248048 568542612 /nfs/dbraw/zinc/54/26/12/568542612.db2.gz OQYHUJDQYJVHOW-UHFFFAOYSA-N -1 3 404.532 3.605 40 0 HHABHM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000223290233 568544228 /nfs/dbraw/zinc/54/42/28/568544228.db2.gz KNCBCVFBTLVILE-CXUHLZMHSA-N -1 3 422.506 3.826 40 0 HHABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000223592146 568552656 /nfs/dbraw/zinc/55/26/56/568552656.db2.gz LLLNRBLEVQYUPH-UHFFFAOYSA-N -1 3 409.467 3.767 40 0 HHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc3ccccc3c2)c1 ZINC000223640761 568554604 /nfs/dbraw/zinc/55/46/04/568554604.db2.gz BUPJCVBBESHMJP-UHFFFAOYSA-N -1 3 419.886 3.637 40 0 HHABHM CC1(C)Oc2ccc(O)cc2[C@H]2O[C@H]3CCN(Cc4cccc(C(=O)[O-])c4)[C@@H]3C[C@@H]21 ZINC000257224190 568783313 /nfs/dbraw/zinc/78/33/13/568783313.db2.gz FARRAQKGUUDOQY-YUVXSKOASA-N -1 3 409.482 3.982 40 0 HHABHM CCOCc1ccc(C(=O)N2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1 ZINC000257336879 568815165 /nfs/dbraw/zinc/81/51/65/568815165.db2.gz YQKGRMCDIWAFCF-UHFFFAOYSA-N -1 3 418.501 3.567 40 0 HHABHM CCN1CCC[C@@]2(CN(Cc3ccc([O-])c(C(F)(F)F)c3)CC(F)(F)C2)C1=O ZINC000306138717 568900659 /nfs/dbraw/zinc/90/06/59/568900659.db2.gz SFLPHRXZNSLMJL-QGZVFWFLSA-N -1 3 406.395 3.881 40 0 HHABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000253565763 569317916 /nfs/dbraw/zinc/31/79/16/569317916.db2.gz ICZUEABKUWZZRA-CKEIUWERSA-N -1 3 423.517 3.576 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000007361749 569337342 /nfs/dbraw/zinc/33/73/42/569337342.db2.gz YFIHWDHSIPSNTB-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362094 569337348 /nfs/dbraw/zinc/33/73/48/569337348.db2.gz USFNRJXPZBPELW-QGZVFWFLSA-N -1 3 404.532 3.706 40 0 HHABHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000007363416 569337494 /nfs/dbraw/zinc/33/74/94/569337494.db2.gz IWEBWGQWPCJWRD-UHFFFAOYSA-N -1 3 416.543 3.931 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](C)c1ccccc1 ZINC000009974616 569342656 /nfs/dbraw/zinc/34/26/56/569342656.db2.gz FFVWFRSVNJAOGT-VXGBXAGGSA-N -1 3 401.315 3.538 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Cl ZINC000033648987 569350803 /nfs/dbraw/zinc/35/08/03/569350803.db2.gz SGKNUXVJUUYNEC-SECBINFHSA-N -1 3 407.706 3.952 40 0 HHABHM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000059501713 569352374 /nfs/dbraw/zinc/35/23/74/569352374.db2.gz DBLYHPBMIRRZOE-UHFFFAOYSA-N -1 3 412.854 3.941 40 0 HHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)c1 ZINC000107967655 569353226 /nfs/dbraw/zinc/35/32/26/569353226.db2.gz VVQDBQPPEGJIIG-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccco2)cc1 ZINC000012017530 569399405 /nfs/dbraw/zinc/39/94/05/569399405.db2.gz HXJRKUHQBVJCQZ-UFYCRDLUSA-N -1 3 424.840 3.993 40 0 HHABHM Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399234 524755080 /nfs/dbraw/zinc/75/50/80/524755080.db2.gz OKTNPRQXILSHBB-AWEZNQCLSA-N -1 3 423.860 3.540 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000044839762 525217897 /nfs/dbraw/zinc/21/78/97/525217897.db2.gz NHLHAXXNLPUKCD-UHFFFAOYSA-N -1 3 406.935 3.806 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1NC(=O)c1ccccc1 ZINC000408558404 557455705 /nfs/dbraw/zinc/45/57/05/557455705.db2.gz RKASEGCDCRCLCM-UHFFFAOYSA-N -1 3 400.431 3.887 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c(C)c1 ZINC000408589826 557499270 /nfs/dbraw/zinc/49/92/70/557499270.db2.gz FSNZMMIBMHKBOJ-QGZVFWFLSA-N -1 3 404.532 3.644 40 0 HHABHM CCc1cccc(CC)c1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408605999 557518139 /nfs/dbraw/zinc/51/81/39/557518139.db2.gz KRAOAEIIZVZIGV-ZDUSSCGKSA-N -1 3 424.950 3.779 40 0 HHABHM COc1c(F)c(F)c(C(=O)[N-]c2sc3c(c2C(N)=O)CCCC3)c(F)c1F ZINC000408629185 557563457 /nfs/dbraw/zinc/56/34/57/557563457.db2.gz OMPGISDUWGVKPX-UHFFFAOYSA-N -1 3 402.369 3.543 40 0 HHABHM COc1cccc(CCC[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000013674288 558563633 /nfs/dbraw/zinc/56/36/33/558563633.db2.gz FDAPGLDJWFXQPM-UHFFFAOYSA-N -1 3 404.315 3.922 40 0 HHABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)ccc1OC ZINC000013680420 558566406 /nfs/dbraw/zinc/56/64/06/558566406.db2.gz AKVJYGYSGAAOLH-UHFFFAOYSA-N -1 3 423.705 3.816 40 0 HHABHM O=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014047654 558615261 /nfs/dbraw/zinc/61/52/61/558615261.db2.gz WMXYKFZIOGHWAX-UHFFFAOYSA-N -1 3 412.486 3.989 40 0 HHABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000030850856 558739972 /nfs/dbraw/zinc/73/99/72/558739972.db2.gz ZQCJMKKJOBYUEN-UHFFFAOYSA-N -1 3 402.516 3.748 40 0 HHABHM CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C([O-])=C2ON1c1ccccc1 ZINC000101025207 558825208 /nfs/dbraw/zinc/82/52/08/558825208.db2.gz JPAGAUXKVTXNOI-BZSNNMDCSA-N -1 3 415.287 3.928 40 0 HHABHM Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cc(C(F)(F)F)n[n-]3)ccc21 ZINC000019289828 558862388 /nfs/dbraw/zinc/86/23/88/558862388.db2.gz XNVXEQCGUBFOQR-UHFFFAOYSA-N -1 3 406.412 3.553 40 0 HHABHM Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cc(C(F)(F)F)[n-]n3)ccc21 ZINC000019289828 558862390 /nfs/dbraw/zinc/86/23/90/558862390.db2.gz XNVXEQCGUBFOQR-UHFFFAOYSA-N -1 3 406.412 3.553 40 0 HHABHM CCCSc1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cn1 ZINC000019525210 558906585 /nfs/dbraw/zinc/90/65/85/558906585.db2.gz WCGFWQJEJMEXRF-QGZVFWFLSA-N -1 3 422.558 3.504 40 0 HHABHM CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1CO ZINC000019533660 558913320 /nfs/dbraw/zinc/91/33/20/558913320.db2.gz IRVQCTFRAQSZNP-OAQYLSRUSA-N -1 3 420.513 3.862 40 0 HHABHM COc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1OC ZINC000019561037 558921972 /nfs/dbraw/zinc/92/19/72/558921972.db2.gz BAAAUMJTOXQSSL-IBGZPJMESA-N -1 3 406.486 3.989 40 0 HHABHM Cc1cc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)cs1 ZINC000019571976 558930265 /nfs/dbraw/zinc/93/02/65/558930265.db2.gz KPAHBVCRAQRMCM-FQEVSTJZSA-N -1 3 416.506 3.916 40 0 HHABHM COc1ccc2nc(CN3CCc4c(nc(N5CCC(C)CC5)[n-]c4=O)C3)ccc2c1 ZINC000072335648 558937013 /nfs/dbraw/zinc/93/70/13/558937013.db2.gz RZSUVGZUFLAXJR-UHFFFAOYSA-N -1 3 419.529 3.534 40 0 HHABHM COCCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000019593720 558944821 /nfs/dbraw/zinc/94/48/21/558944821.db2.gz BSHRAHJMSWBMBK-QFIPXVFZSA-N -1 3 420.513 3.584 40 0 HHABHM COCCOc1ccc(CN2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)cc1 ZINC000019593706 558944990 /nfs/dbraw/zinc/94/49/90/558944990.db2.gz CEPLAUMAMLMNBR-OAQYLSRUSA-N -1 3 406.486 3.607 40 0 HHABHM CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)CC1 ZINC000257255177 558994695 /nfs/dbraw/zinc/99/46/95/558994695.db2.gz KGLZJYPWKYSLTP-WRWLIDTKSA-N -1 3 408.502 3.577 40 0 HHABHM COc1ccc2[nH]c(C[C@H]3CN(Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289599 560032323 /nfs/dbraw/zinc/03/23/23/560032323.db2.gz WFADAJGRKZLDFK-IRXDYDNUSA-N -1 3 411.477 3.866 40 0 biogenic,in-vitro HHABHM COc1ccccc1NC(=O)CSc1nnc([N-]C(=O)c2cccs2)s1 ZINC000007388313 560635360 /nfs/dbraw/zinc/63/53/60/560635360.db2.gz QPLXPTICHAXYIP-UHFFFAOYSA-N -1 3 406.514 3.591 40 0 HHABHM Cc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409144632 560684414 /nfs/dbraw/zinc/68/44/14/560684414.db2.gz MIQDETGJPBWUQU-UHFFFAOYSA-N -1 3 407.706 3.872 40 0 HHABHM Cc1cc(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000409172407 560686691 /nfs/dbraw/zinc/68/66/91/560686691.db2.gz HIVXLNZHAGTALX-OMXAPOSASA-N -1 3 404.816 3.913 40 0 HHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1cccc(Br)c1)[C@]2([O-])C(F)(F)F ZINC000409180054 560687497 /nfs/dbraw/zinc/68/74/97/560687497.db2.gz VXAGWFGBOYBZGX-MURWCNHISA-N -1 3 405.214 3.948 40 0 HHABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc(Cl)c1[O-] ZINC000409207815 560691479 /nfs/dbraw/zinc/69/14/79/560691479.db2.gz AMNMZQLQPBHZJA-DOQDJBIESA-N -1 3 413.879 3.822 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NC1CCCCCC1 ZINC000409391932 560719039 /nfs/dbraw/zinc/71/90/39/560719039.db2.gz PHLLAPFBOBHMHZ-UHFFFAOYSA-N -1 3 420.506 3.844 40 0 HHABHM COc1ccc(N2OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000004599040 560898538 /nfs/dbraw/zinc/89/85/38/560898538.db2.gz DMTLHMBJHHIBLA-YPAWHYETSA-N -1 3 418.424 3.885 40 0 HHABHM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000223318749 568545119 /nfs/dbraw/zinc/54/51/19/568545119.db2.gz INVOLENFYYPAGS-UHFFFAOYSA-N -1 3 410.451 3.809 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1N1CCCC1=O ZINC000224879376 568601929 /nfs/dbraw/zinc/60/19/29/568601929.db2.gz SGJTXYVJRNAJEJ-UHFFFAOYSA-N -1 3 414.405 3.821 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000224965494 568606414 /nfs/dbraw/zinc/60/64/14/568606414.db2.gz GGRJHRBVJWWVIP-UHFFFAOYSA-N -1 3 407.923 3.954 40 0 HHABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)ccc21 ZINC000224977705 568607134 /nfs/dbraw/zinc/60/71/34/568607134.db2.gz AWJMXHGWQKGBSS-UHFFFAOYSA-N -1 3 413.543 3.777 40 0 HHABHM CCOc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)c2ccccc12 ZINC000225930485 568686837 /nfs/dbraw/zinc/68/68/37/568686837.db2.gz LLHRBWJRSRRRCQ-UHFFFAOYSA-N -1 3 416.524 3.750 40 0 HHABHM Cc1csc([N-]c2cncc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)n1 ZINC000257302489 568804974 /nfs/dbraw/zinc/80/49/74/568804974.db2.gz SDCSEQXRMUUDGF-UHFFFAOYSA-N -1 3 415.544 3.553 40 0 HHABHM Cc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)[n-]c(=O)n1 ZINC000257342024 568816634 /nfs/dbraw/zinc/81/66/34/568816634.db2.gz ZMTKKWXUTCESTM-OAHLLOKOSA-N -1 3 412.877 3.743 40 0 HHABHM O=C(CSc1nnc(-c2ccccc2[O-])o1)Nc1ccc(Br)cc1 ZINC000000850106 569282315 /nfs/dbraw/zinc/28/23/15/569282315.db2.gz WYLMXRNXLNYLCC-UHFFFAOYSA-N -1 3 406.261 3.936 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cccc(F)c1 ZINC000007361744 569337408 /nfs/dbraw/zinc/33/74/08/569337408.db2.gz XUDAYQJPHPOSDQ-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1Br)N2 ZINC000020034182 569349305 /nfs/dbraw/zinc/34/93/05/569349305.db2.gz FDUXFMPXUBRGDL-OSQNNJELSA-N -1 3 405.214 3.948 40 0 HHABHM CCc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000107909405 569353095 /nfs/dbraw/zinc/35/30/95/569353095.db2.gz HRRNFVHCMPZDOA-LLVKDONJSA-N -1 3 401.315 3.861 40 0 HHABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018163683 569385129 /nfs/dbraw/zinc/38/51/29/569385129.db2.gz XIRGTAFIESYEAK-FSSWDIPSSA-N -1 3 418.424 3.885 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1Cl ZINC000020456242 525218980 /nfs/dbraw/zinc/21/89/80/525218980.db2.gz QGCMJARGPHYSJF-UHFFFAOYSA-N -1 3 421.675 3.865 40 0 HHABHM Cc1c(Cl)cccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399237 525775383 /nfs/dbraw/zinc/77/53/83/525775383.db2.gz ARNGSAIVRZNLBN-CYBMUJFWSA-N -1 3 423.860 3.540 40 0 HHABHM COc1cc2c(cc1OC)[C@H]1C(=O)c3c([O-])cc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 ZINC000001684798 557280372 /nfs/dbraw/zinc/28/03/72/557280372.db2.gz JLTNCZQNGBLBGO-RTBURBONSA-N -1 3 410.422 3.714 40 0 in-vitro HHABHM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408582915 557486486 /nfs/dbraw/zinc/48/64/86/557486486.db2.gz FWDQSZGNOXAEBF-AWEZNQCLSA-N -1 3 410.923 3.743 40 0 HHABHM O=c1[n-]cnc2c1[C@@H](c1ccc(Br)cc1)c1c(=O)oc3ccccc3c1O2 ZINC000003851777 557501097 /nfs/dbraw/zinc/50/10/97/557501097.db2.gz JTKKJXNFJYSEHN-AWEZNQCLSA-N -1 3 423.222 3.925 40 0 HHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c1 ZINC000408596811 557516492 /nfs/dbraw/zinc/51/64/92/557516492.db2.gz SIAGSZDQPJCGTN-KRWDZBQOSA-N -1 3 404.532 3.644 40 0 HHABHM CC(C)(CN1CCCCC1)C(=O)C[C@@H](SCCS(=O)(=O)[O-])c1ccccc1 ZINC000005714972 557669961 /nfs/dbraw/zinc/66/99/61/557669961.db2.gz YCBDINIVTFNIDF-GOSISDBHSA-N -1 3 413.605 3.820 40 0 HHABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000011582404 558264263 /nfs/dbraw/zinc/26/42/63/558264263.db2.gz AWYACEIVBOFBHB-FSSWDIPSSA-N -1 3 418.424 3.885 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cc(F)ccc1F ZINC000020019952 558321225 /nfs/dbraw/zinc/32/12/25/558321225.db2.gz PXBBRNSXAVCXAD-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM COc1cccc(OC)c1C(=O)[N-]c1nnc(-c2ccc(Br)cc2)o1 ZINC000020496042 558380465 /nfs/dbraw/zinc/38/04/65/558380465.db2.gz SZIAXZLUFFTDNY-UHFFFAOYSA-N -1 3 404.220 3.769 40 0 HHABHM O=c1cc(CSc2nc3ccccc3o2)nc(N2CCN(c3ccccc3)CC2)[n-]1 ZINC000013611360 558548463 /nfs/dbraw/zinc/54/84/63/558548463.db2.gz RHABDVGHBFGEAP-UHFFFAOYSA-N -1 3 419.510 3.530 40 0 HHABHM Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000014224028 558638428 /nfs/dbraw/zinc/63/84/28/558638428.db2.gz YOYZGSODDWYDMX-UHFFFAOYSA-N -1 3 416.524 3.738 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)cc1 ZINC000030852025 558740147 /nfs/dbraw/zinc/74/01/47/558740147.db2.gz VHLWZBQFVFSNTP-UHFFFAOYSA-N -1 3 410.495 3.986 40 0 HHABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000100896844 558800987 /nfs/dbraw/zinc/80/09/87/558800987.db2.gz MCEWVEMNJCRCNB-BDTNDASRSA-N -1 3 400.434 3.752 40 0 HHABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000100901291 558802289 /nfs/dbraw/zinc/80/22/89/558802289.db2.gz RAXYROGTNMRWJD-VSKRKVRLSA-N -1 3 400.434 3.752 40 0 HHABHM CCOc1cc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)ccc1OC ZINC000019532023 558912308 /nfs/dbraw/zinc/91/23/08/558912308.db2.gz IUTBAPCAMNIWQK-FQEVSTJZSA-N -1 3 420.513 3.966 40 0 HHABHM COc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c(OC)c1 ZINC000019552335 558915791 /nfs/dbraw/zinc/91/57/91/558915791.db2.gz XIXJJEIVVPDBGG-FQEVSTJZSA-N -1 3 406.486 3.989 40 0 HHABHM COc1ccc(CN[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)cc1 ZINC000019555872 558918409 /nfs/dbraw/zinc/91/84/09/558918409.db2.gz AEQLYBIZUCOBDD-QHCPKHFHSA-N -1 3 412.493 3.914 40 0 HHABHM Cc1scc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1C ZINC000019561904 558922701 /nfs/dbraw/zinc/92/27/01/558922701.db2.gz GCDSJYRHWVAHLW-IBGZPJMESA-N -1 3 406.511 3.952 40 0 HHABHM COc1ccccc1CCC(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019569834 558928691 /nfs/dbraw/zinc/92/86/91/558928691.db2.gz CCKADSMCYPCNTC-UHFFFAOYSA-N -1 3 423.538 3.846 40 0 HHABHM Cc1cc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)cs1 ZINC000019571979 558930257 /nfs/dbraw/zinc/93/02/57/558930257.db2.gz KPAHBVCRAQRMCM-HXUWFJFHSA-N -1 3 416.506 3.916 40 0 HHABHM COCCOc1ccc(CN2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)cc1 ZINC000019593708 558944807 /nfs/dbraw/zinc/94/48/07/558944807.db2.gz CEPLAUMAMLMNBR-NRFANRHFSA-N -1 3 406.486 3.607 40 0 HHABHM CN(CCc1ccccc1)c1nc(C2CCN(Cc3cccnc3)CC2)cc(=O)[n-]1 ZINC000019717519 558980277 /nfs/dbraw/zinc/98/02/77/558980277.db2.gz IVUCUDXXWKSHAC-UHFFFAOYSA-N -1 3 403.530 3.636 40 0 HHABHM O=C([O-])[C@H](O)CCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000067665021 558990853 /nfs/dbraw/zinc/99/08/53/558990853.db2.gz NRJILSYCORTKLG-HXUWFJFHSA-N -1 3 412.917 3.567 40 0 in-vitro HHABHM O=C(NC[C@H]1CC[C@H](c2ccnc([N-]c3cnccn3)n2)CC1)c1ccc(F)cc1 ZINC000100707368 559138113 /nfs/dbraw/zinc/13/81/13/559138113.db2.gz VVDUFQUKTCDCDV-IYBDPMFKSA-N -1 3 406.465 3.853 40 0 HHABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000409110375 560677757 /nfs/dbraw/zinc/67/77/57/560677757.db2.gz VMJKGWLWGKPLSH-UHFFFAOYSA-N -1 3 424.689 3.999 40 0 HHABHM CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(I)c1[O-] ZINC000409118475 560679259 /nfs/dbraw/zinc/67/92/59/560679259.db2.gz NIQYDVSJZNJFRQ-GHXNOFRVSA-N -1 3 407.207 3.888 40 0 HHABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc(Cl)c1[O-] ZINC000409207816 560691508 /nfs/dbraw/zinc/69/15/08/560691508.db2.gz AMNMZQLQPBHZJA-WULZRQGASA-N -1 3 413.879 3.822 40 0 HHABHM O=C(CN1C(=O)S/C(=C/c2cc(Cl)ccc2[O-])C1=O)Nc1cccc(F)c1 ZINC000409242491 560702579 /nfs/dbraw/zinc/70/25/79/560702579.db2.gz NYMVLPBJOZNQHZ-VIZOYTHASA-N -1 3 406.822 3.860 40 0 HHABHM Cn1c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2sc1=O ZINC000225045579 568610934 /nfs/dbraw/zinc/61/09/34/568610934.db2.gz UXULUKKCUYUPDH-UHFFFAOYSA-N -1 3 403.312 3.849 40 0 HHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccccc1 ZINC000225877817 568682895 /nfs/dbraw/zinc/68/28/95/568682895.db2.gz OIVMFUXJJXKKMY-MRXNPFEDSA-N -1 3 416.528 3.528 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(C)c2)cc1 ZINC000226054829 568692137 /nfs/dbraw/zinc/69/21/37/568692137.db2.gz UMACTUUNCQICIF-UHFFFAOYSA-N -1 3 404.532 3.645 40 0 HHABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000059416476 568705525 /nfs/dbraw/zinc/70/55/25/568705525.db2.gz HAOGGYBYGLJRGB-SJLPKXTDSA-N -1 3 416.264 3.625 40 0 HHABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c1 ZINC000100165701 569012822 /nfs/dbraw/zinc/01/28/22/569012822.db2.gz WTVQUSKAZVHUDT-VSKRKVRLSA-N -1 3 418.424 3.885 40 0 HHABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccc(Cl)cc1 ZINC000107822647 569352994 /nfs/dbraw/zinc/35/29/94/569352994.db2.gz ZCMXGAMNMHBNKW-JTQLQIEISA-N -1 3 421.733 3.630 40 0 HHABHM CC1CCN(Cc2cccc(NC(=O)c3cc(=O)[n-]c(-c4ccccc4)n3)c2)CC1 ZINC000141563539 569354853 /nfs/dbraw/zinc/35/48/53/569354853.db2.gz DYLKNTRPBKQONV-UHFFFAOYSA-N -1 3 402.498 3.921 40 0 HHABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)c1 ZINC000040399164 524653803 /nfs/dbraw/zinc/65/38/03/524653803.db2.gz JXLCHFIMFKWUAW-HNNXBMFYSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1Cl ZINC000040399235 525199086 /nfs/dbraw/zinc/19/90/86/525199086.db2.gz HQCILGFGJRPLET-CQSZACIVSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399343 525258093 /nfs/dbraw/zinc/25/80/93/525258093.db2.gz WWXBXAPKUGURJT-CQSZACIVSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000040400379 525330116 /nfs/dbraw/zinc/33/01/16/525330116.db2.gz KKDQDBHFOJCYEI-INIZCTEOSA-N -1 3 417.469 3.503 40 0 HHABHM COc1cc(C2=N/C(=C/c3c([O-])ccc4ccccc43)C(=O)O2)cc(OC)c1OC ZINC000001041657 557153687 /nfs/dbraw/zinc/15/36/87/557153687.db2.gz BNSVNHHWBIZLGE-SFQUDFHCSA-N -1 3 405.406 3.916 40 0 HHABHM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000408556269 557452521 /nfs/dbraw/zinc/45/25/21/557452521.db2.gz HJBMDTGSVBZMTK-UHFFFAOYSA-N -1 3 417.256 3.957 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1C ZINC000408597635 557507684 /nfs/dbraw/zinc/50/76/84/557507684.db2.gz VQRMGNOXGQUUSS-KRWDZBQOSA-N -1 3 404.532 3.644 40 0 HHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c1 ZINC000408596813 557516553 /nfs/dbraw/zinc/51/65/53/557516553.db2.gz SIAGSZDQPJCGTN-QGZVFWFLSA-N -1 3 404.532 3.644 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000408609435 557532760 /nfs/dbraw/zinc/53/27/60/557532760.db2.gz RHTJHHNWSFAPPN-NSHDSACASA-N -1 3 417.314 3.616 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000408675599 557678088 /nfs/dbraw/zinc/67/80/88/557678088.db2.gz JKOPSCHLHVWZHB-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000019936572 558311973 /nfs/dbraw/zinc/31/19/73/558311973.db2.gz DYRGPJGBFMFDIW-UHFFFAOYSA-N -1 3 406.769 3.605 40 0 HHABHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(Cl)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000012112405 558326688 /nfs/dbraw/zinc/32/66/88/558326688.db2.gz UOSHCSGYPPXMJU-RKVPGOIHSA-N -1 3 412.795 3.752 40 0 HHABHM [O-]C(c1ccccc1)=C1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000013109387 558514814 /nfs/dbraw/zinc/51/48/14/558514814.db2.gz KVPDPAYJXWEZAU-JKIFEVAISA-N -1 3 414.836 3.609 40 0 HHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000030870052 558743113 /nfs/dbraw/zinc/74/31/13/558743113.db2.gz OZRRLNCMKMKEGH-UHFFFAOYSA-N -1 3 402.516 3.965 40 0 HHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1 ZINC000071792873 558808471 /nfs/dbraw/zinc/80/84/71/558808471.db2.gz WPGCLBTUKADWGV-UHFFFAOYSA-N -1 3 417.268 3.799 40 0 HHABHM O=C1C[C@@H](c2cc(=O)[n-]c(NCc3ccc(Cl)cc3)n2)CN1Cc1ccccc1 ZINC000019371675 558879192 /nfs/dbraw/zinc/87/91/92/558879192.db2.gz WCMUZPLLVOEVCN-QGZVFWFLSA-N -1 3 408.889 3.552 40 0 HHABHM CC(C)[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cc(=O)[n-]c(-c2ccncc2)n1 ZINC000019445709 558885740 /nfs/dbraw/zinc/88/57/40/558885740.db2.gz PMMLGMIXNJWFBI-FQEVSTJZSA-N -1 3 406.461 3.516 40 0 HHABHM COc1cccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c1OC ZINC000019567886 558926977 /nfs/dbraw/zinc/92/69/77/558926977.db2.gz MLQJGEGIRTTZBV-IBGZPJMESA-N -1 3 406.486 3.989 40 0 HHABHM COc1ccc(CN(C)C(=O)c2c[n-]c3c(cccc3C(F)(F)F)c2=O)cc1OC ZINC000019586412 558939393 /nfs/dbraw/zinc/93/93/93/558939393.db2.gz ZSSLSXWYQTXVAP-UHFFFAOYSA-N -1 3 420.387 3.836 40 0 HHABHM COc1ccc(CN(C)C(=O)c2cnc3c(cccc3C(F)(F)F)c2[O-])cc1OC ZINC000019586412 558939395 /nfs/dbraw/zinc/93/93/95/558939395.db2.gz ZSSLSXWYQTXVAP-UHFFFAOYSA-N -1 3 420.387 3.836 40 0 HHABHM O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377909 558967203 /nfs/dbraw/zinc/96/72/03/558967203.db2.gz VXFWEGYVTCUZHB-MRXNPFEDSA-N -1 3 408.893 3.612 40 0 HHABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000095396968 559081040 /nfs/dbraw/zinc/08/10/40/559081040.db2.gz BBDZXTPMYXECLD-AQNXPRMDSA-N -1 3 406.463 3.808 40 0 HHABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C ZINC000006471859 559206777 /nfs/dbraw/zinc/20/67/77/559206777.db2.gz ULCYKKOIUHYOPQ-UHFFFAOYSA-N -1 3 404.271 3.654 40 0 HHABHM O=C1N/C(=C/c2cc(Cl)ccc2[O-])C(=O)N1Cc1ccc(Br)cc1 ZINC000408929241 560655296 /nfs/dbraw/zinc/65/52/96/560655296.db2.gz SJIQOCGQWOQAFP-RIYZIHGNSA-N -1 3 407.651 3.901 40 0 HHABHM CCOC(=O)c1sc([N-]C(=O)C(F)(F)F)c(C(=O)NC2CCCCC2)c1C ZINC000409126703 560681133 /nfs/dbraw/zinc/68/11/33/560681133.db2.gz BOJPUVFXCYINMZ-UHFFFAOYSA-N -1 3 406.426 3.797 40 0 HHABHM CCOc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409388785 560720319 /nfs/dbraw/zinc/72/03/19/560720319.db2.gz FGVRLDCLMPHBBK-LLVKDONJSA-N -1 3 417.314 3.698 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000222582479 568519219 /nfs/dbraw/zinc/51/92/19/568519219.db2.gz SMSWKVZVLNGXCI-UHFFFAOYSA-N -1 3 406.813 3.660 40 0 HHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccccc1 ZINC000223129572 568538725 /nfs/dbraw/zinc/53/87/25/568538725.db2.gz VXUSHGUFGKNYOU-INIZCTEOSA-N -1 3 416.528 3.528 40 0 HHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)CCC2 ZINC000223255177 568542776 /nfs/dbraw/zinc/54/27/76/568542776.db2.gz OUDAYPZMGXAMNG-LBPRGKRZSA-N -1 3 410.333 3.986 40 0 HHABHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000223309933 568544831 /nfs/dbraw/zinc/54/48/31/568544831.db2.gz QMBKTXKZXUJEQW-UHFFFAOYSA-N -1 3 420.840 3.838 40 0 HHABHM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc(Cl)cc3Cl)cc2o1 ZINC000223323495 568545262 /nfs/dbraw/zinc/54/52/62/568545262.db2.gz MSPZZEOEPNJZBM-UHFFFAOYSA-N -1 3 407.662 3.560 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1N1C(=O)CCC1=O ZINC000224182647 568572782 /nfs/dbraw/zinc/57/27/82/568572782.db2.gz PSYRKIKNMBFFQA-UHFFFAOYSA-N -1 3 416.499 3.581 40 0 HHABHM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)cc2sc1=O ZINC000224981053 568607268 /nfs/dbraw/zinc/60/72/68/568607268.db2.gz WDOHGNLBYRUZTH-UHFFFAOYSA-N -1 3 417.556 3.874 40 0 HHABHM Cc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1[N-]S(C)(=O)=O ZINC000010360010 569344134 /nfs/dbraw/zinc/34/41/34/569344134.db2.gz USQRQKUASSNKQQ-UHFFFAOYSA-N -1 3 401.257 3.520 40 0 HHABHM CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Cl)c(Cl)c2)C3)CC1 ZINC000012182740 132355982 /nfs/dbraw/zinc/35/59/82/132355982.db2.gz MVACGAMBJAXLTJ-UHFFFAOYSA-N -1 3 407.345 3.871 40 0 HHABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399344 525262723 /nfs/dbraw/zinc/26/27/23/525262723.db2.gz WWXBXAPKUGURJT-AWEZNQCLSA-N -1 3 423.860 3.540 40 0 HHABHM O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1[O-] ZINC000408542606 557360062 /nfs/dbraw/zinc/36/00/62/557360062.db2.gz JZFIMSBQPMJNEJ-UHFFFAOYSA-N -1 3 403.463 3.822 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c(C)c1 ZINC000408589825 557499321 /nfs/dbraw/zinc/49/93/21/557499321.db2.gz FSNZMMIBMHKBOJ-KRWDZBQOSA-N -1 3 404.532 3.644 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1Cl ZINC000408591401 557507459 /nfs/dbraw/zinc/50/74/59/557507459.db2.gz MAPFPMCQSIXFAE-UHFFFAOYSA-N -1 3 409.895 3.777 40 0 HHABHM CSc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)c1 ZINC000408600626 557520617 /nfs/dbraw/zinc/52/06/17/557520617.db2.gz BJGUPUQMFDOKKE-CQSZACIVSA-N -1 3 408.545 3.501 40 0 HHABHM O=C(NC(=S)Nc1ncccc1[O-])c1cccc2c(Br)cccc12 ZINC000408622196 557548248 /nfs/dbraw/zinc/54/82/48/557548248.db2.gz OOVTZRBRGWARMY-UHFFFAOYSA-N -1 3 402.273 3.830 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000408677724 557683693 /nfs/dbraw/zinc/68/36/93/557683693.db2.gz RBUDTZKUWKZFSS-UHFFFAOYSA-N -1 3 410.923 3.743 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCC1 ZINC000408680047 557686260 /nfs/dbraw/zinc/68/62/60/557686260.db2.gz YBYYZWVKSQXHGZ-UHFFFAOYSA-N -1 3 422.934 3.887 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSc2ccc(Cl)cc2)c(Cl)c1 ZINC000022530019 558496811 /nfs/dbraw/zinc/49/68/11/558496811.db2.gz BXJKSXURQNGMJR-UHFFFAOYSA-N -1 3 419.355 3.887 40 0 HHABHM CCCCOC(=O)c1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)cc1 ZINC000022533152 558497410 /nfs/dbraw/zinc/49/74/10/558497410.db2.gz LFZWHMNJYAAUKY-UHFFFAOYSA-N -1 3 424.906 3.921 40 0 HHABHM O=S(=O)([N-]Cc1cccs1)c1ccc(Br)cc1Br ZINC000016780664 558806995 /nfs/dbraw/zinc/80/69/95/558806995.db2.gz OVRRHTNCPBBAIO-UHFFFAOYSA-N -1 3 411.140 3.752 40 0 HHABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(NCc4ccccc4F)n3)CC2=O)c1C ZINC000019235596 558854668 /nfs/dbraw/zinc/85/46/68/558854668.db2.gz TURDJLUMTWPIGO-QGZVFWFLSA-N -1 3 406.461 3.658 40 0 HHABHM CCOc1cc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)ccc1OC ZINC000019532025 558912434 /nfs/dbraw/zinc/91/24/34/558912434.db2.gz WDBXHVDMYZWNIK-HXUWFJFHSA-N -1 3 420.513 3.966 40 0 HHABHM COc1cc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc(OC)c1 ZINC000019595112 558945852 /nfs/dbraw/zinc/94/58/52/558945852.db2.gz ZGNKBNHSRXZXBF-OAQYLSRUSA-N -1 3 406.486 3.989 40 0 HHABHM COc1ccc(CCC(=O)N2CCCC[C@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377882 558967127 /nfs/dbraw/zinc/96/71/27/558967127.db2.gz FQVGGKSAZRCWTF-FQEVSTJZSA-N -1 3 418.501 3.705 40 0 HHABHM CCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccc(C)c1[O-])C2 ZINC000585106814 559029115 /nfs/dbraw/zinc/02/91/15/559029115.db2.gz IPERPFIVNKLCRH-DEOSSOPVSA-N -1 3 402.498 3.858 40 0 HHABHM COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000100325835 559134114 /nfs/dbraw/zinc/13/41/14/559134114.db2.gz CDZIIWILNVZGOQ-AWNIVKPZSA-N -1 3 423.650 3.914 40 0 HHABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100569963 559136717 /nfs/dbraw/zinc/13/67/17/559136717.db2.gz AWYACEIVBOFBHB-VSKRKVRLSA-N -1 3 418.424 3.885 40 0 HHABHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000409143840 560684362 /nfs/dbraw/zinc/68/43/62/560684362.db2.gz IXGNKWKHVUZVRQ-UHFFFAOYSA-N -1 3 407.706 3.872 40 0 HHABHM COc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409172236 560686676 /nfs/dbraw/zinc/68/66/76/560686676.db2.gz DSDHKDXORZNODM-UHFFFAOYSA-N -1 3 423.705 3.572 40 0 HHABHM CC1CCN(C(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)CC1 ZINC000409381141 560717264 /nfs/dbraw/zinc/71/72/64/560717264.db2.gz CWTHDJYUIPBPMW-UHFFFAOYSA-N -1 3 408.527 3.991 40 0 HHABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000409392282 560719168 /nfs/dbraw/zinc/71/91/68/560719168.db2.gz QYGMMMQKCCWDEU-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000103769338 560734688 /nfs/dbraw/zinc/73/46/88/560734688.db2.gz TUDSFKRHGKIRNS-AEFFLSMTSA-N -1 3 416.264 3.625 40 0 HHABHM CCCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000013083701 560792726 /nfs/dbraw/zinc/79/27/26/560792726.db2.gz RLYBFYYMLMZHGE-SFHVURJKSA-N -1 3 422.533 3.652 40 0 HHABHM Cc1nc(N2CCN(c3ccc(F)cc3)CC2)[n-]c(=O)c1Cc1cccc(Cl)c1 ZINC000014162190 560840297 /nfs/dbraw/zinc/84/02/97/560840297.db2.gz DHBFHDPLIBRRIC-UHFFFAOYSA-N -1 3 412.896 3.788 40 0 HHABHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000223310035 568544858 /nfs/dbraw/zinc/54/48/58/568544858.db2.gz PDGIQNJFFBUUQJ-UHFFFAOYSA-N -1 3 424.522 3.745 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]CCOc2ccc(C)cc2C)c(Cl)c1Cl ZINC000223853058 568560906 /nfs/dbraw/zinc/56/09/06/568560906.db2.gz OFUWPIBZBUYJQN-UHFFFAOYSA-N -1 3 404.315 3.976 40 0 HHABHM O=C(NCc1cccc(F)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000224079550 568568945 /nfs/dbraw/zinc/56/89/45/568568945.db2.gz ANELIPFPJXXFHW-UHFFFAOYSA-N -1 3 402.422 3.696 40 0 HHABHM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)c1 ZINC000224545199 568584643 /nfs/dbraw/zinc/58/46/43/568584643.db2.gz PNGRTQAEORNRNE-UHFFFAOYSA-N -1 3 416.524 3.738 40 0 HHABHM CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1 ZINC000257205779 568777753 /nfs/dbraw/zinc/77/77/53/568777753.db2.gz BANNMPFYHCBRGL-SFHVURJKSA-N -1 3 411.527 3.985 40 0 HHABHM CS(=O)(=O)c1c[n-]nc1[C@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1 ZINC000257205779 568777755 /nfs/dbraw/zinc/77/77/55/568777755.db2.gz BANNMPFYHCBRGL-SFHVURJKSA-N -1 3 411.527 3.985 40 0 HHABHM CCOc1cc(-c2cc(-c3cc(OC)c([O-])cc3Cl)nn2CCO)ccc1O ZINC000257246641 568789307 /nfs/dbraw/zinc/78/93/07/568789307.db2.gz IVBJXMSZEXSMHL-UHFFFAOYSA-N -1 3 404.850 3.681 40 0 HHABHM COc1cc(-c2cc(-c3cc(Br)c([O-])c(OC)c3)nn2C)ccc1O ZINC000257302751 568805198 /nfs/dbraw/zinc/80/51/98/568805198.db2.gz SEEDRPHCXMATOK-UHFFFAOYSA-N -1 3 405.248 3.945 40 0 HHABHM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)[C@@H]3C[C@@H]21 ZINC000257313219 568808095 /nfs/dbraw/zinc/80/80/95/568808095.db2.gz URLCXQFPODQFEK-IZZBFERCSA-N -1 3 409.482 3.982 40 0 HHABHM Cc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)[n-]c(=O)n1 ZINC000257342023 568816592 /nfs/dbraw/zinc/81/65/92/568816592.db2.gz ZMTKKWXUTCESTM-HNNXBMFYSA-N -1 3 412.877 3.743 40 0 HHABHM Cc1cccc(OCC(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c1 ZINC000226244149 569278767 /nfs/dbraw/zinc/27/87/67/569278767.db2.gz SBZLAHNLKQRRRT-UHFFFAOYSA-N -1 3 409.305 3.664 40 0 HHABHM Cc1cccc(OCC(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c1C ZINC000226244225 569278756 /nfs/dbraw/zinc/27/87/56/569278756.db2.gz KLTDOBYKFVNFIT-UHFFFAOYSA-N -1 3 423.332 3.972 40 0 HHABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3CC)[n-]c(=O)c21 ZINC000253575225 569318042 /nfs/dbraw/zinc/31/80/42/569318042.db2.gz UIRUGOZPXRSKLF-CVEARBPZSA-N -1 3 423.517 3.578 40 0 HHABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000007361365 569337320 /nfs/dbraw/zinc/33/73/20/569337320.db2.gz ILLCLHZDYBTPQZ-UHFFFAOYSA-N -1 3 416.543 3.857 40 0 HHABHM CCC[C@H]1[C@H]2C(=O)N(c3ccccc3Br)C([O-])=C2ON1c1ccccc1 ZINC000018189341 569386625 /nfs/dbraw/zinc/38/66/25/569386625.db2.gz JPAGAUXKVTXNOI-KSZLIROESA-N -1 3 415.287 3.928 40 0 HHABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000016228066 526178151 /nfs/dbraw/zinc/17/81/51/526178151.db2.gz MQNQUPYJIGIKSQ-UHFFFAOYSA-N -1 3 412.467 3.514 40 0 HHABHM COC(=O)c1cc([O-])c2cc3c(cc2c1-c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000001687152 557280775 /nfs/dbraw/zinc/28/07/75/557280775.db2.gz JCWRRVYWBMQVMH-UHFFFAOYSA-N -1 3 412.394 3.754 40 0 HHABHM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408561220 557459774 /nfs/dbraw/zinc/45/97/74/557459774.db2.gz HEMHKVUDZNZRSI-LBPRGKRZSA-N -1 3 414.886 3.573 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408587223 557493779 /nfs/dbraw/zinc/49/37/79/557493779.db2.gz BEYVSPABAPQHIG-UHFFFAOYSA-N -1 3 403.504 3.904 40 0 HHABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408592932 557506593 /nfs/dbraw/zinc/50/65/93/557506593.db2.gz KXFCGQCSOAQVCW-AWEZNQCLSA-N -1 3 410.923 3.680 40 0 HHABHM COc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c(OC)cc1Cl ZINC000020487815 558376946 /nfs/dbraw/zinc/37/69/46/558376946.db2.gz SQNWSMTYBYDPRF-UHFFFAOYSA-N -1 3 419.286 3.634 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1c(F)cccc1F ZINC000016490380 558794544 /nfs/dbraw/zinc/79/45/44/558794544.db2.gz MTDSIENWHPHHIB-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM O=C(C1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019014675 558836757 /nfs/dbraw/zinc/83/67/57/558836757.db2.gz IDCANCLTPTXLHW-GOSISDBHSA-N -1 3 412.578 3.769 40 0 HHABHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCO4)nc2n1 ZINC000019118866 558842532 /nfs/dbraw/zinc/84/25/32/558842532.db2.gz HBWSFBHTRVUFQB-CQSZACIVSA-N -1 3 424.526 3.642 40 0 HHABHM Cc1ccc(CNc2nc([C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[n-]2)cc1 ZINC000019210429 558848236 /nfs/dbraw/zinc/84/82/36/558848236.db2.gz BUSSMTQBNGHBLV-IBGZPJMESA-N -1 3 402.498 3.828 40 0 HHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)c2ccccc2)cc(=O)[n-]1 ZINC000019240958 558859392 /nfs/dbraw/zinc/85/93/92/558859392.db2.gz ZCYFIYWFOULEAR-BTYIYWSLSA-N -1 3 400.482 3.763 40 0 HHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Cc2cccs2)cc(=O)[n-]1 ZINC000019240942 558859409 /nfs/dbraw/zinc/85/94/09/558859409.db2.gz UABQTVWAERHPKC-VBKZILBWSA-N -1 3 420.538 3.900 40 0 HHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)c2ccccc2)cc(=O)[n-]1 ZINC000019240957 558859427 /nfs/dbraw/zinc/85/94/27/558859427.db2.gz ZCYFIYWFOULEAR-VFNWGFHPSA-N -1 3 400.482 3.763 40 0 HHABHM CC(C)[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cc(=O)[n-]c(-c2ccncc2)n1 ZINC000019445707 558885728 /nfs/dbraw/zinc/88/57/28/558885728.db2.gz PMMLGMIXNJWFBI-HXUWFJFHSA-N -1 3 406.461 3.516 40 0 HHABHM Cc1c(-c2csc([N-]C(=O)c3cc(COc4ccc(F)cc4)on3)n2)cnn1C ZINC000019663106 558953988 /nfs/dbraw/zinc/95/39/88/558953988.db2.gz SARUCGLACPAMFZ-UHFFFAOYSA-N -1 3 413.434 3.810 40 0 HHABHM COc1ccc(CN2CCC(c3cc(=O)[n-]c(-c4ccncc4)n3)CC2)c(OC)c1 ZINC000072392698 558972407 /nfs/dbraw/zinc/97/24/07/558972407.db2.gz JJGSZOSZTAUOLS-UHFFFAOYSA-N -1 3 406.486 3.641 40 0 HHABHM Cc1cnc([N-]c2ncc(F)c(CC3CCN(Cc4cnc(C)nc4)CC3)n2)s1 ZINC000585263040 559111383 /nfs/dbraw/zinc/11/13/83/559111383.db2.gz WRMKBQVZFOHGKR-UHFFFAOYSA-N -1 3 413.526 3.677 40 0 HHABHM O=C(O[C@@H]([N-]S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000001083947 560555803 /nfs/dbraw/zinc/55/58/03/560555803.db2.gz JENKGPLTJZFWIR-CQSZACIVSA-N -1 3 408.690 3.518 40 0 HHABHM CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2ccccc2[O-])c1 ZINC000006681274 560634309 /nfs/dbraw/zinc/63/43/09/560634309.db2.gz KWIWNUACVBRSSL-UHFFFAOYSA-N -1 3 406.460 3.670 40 0 HHABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409111313 560677910 /nfs/dbraw/zinc/67/79/10/560677910.db2.gz BSUIIUKVYBXFTI-UHFFFAOYSA-N -1 3 423.796 3.711 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C(=O)N1CCCCCC1 ZINC000007360819 560750346 /nfs/dbraw/zinc/75/03/46/560750346.db2.gz MNNMAJSMAXTLLH-UHFFFAOYSA-N -1 3 402.516 3.821 40 0 HHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585917 560817293 /nfs/dbraw/zinc/81/72/93/560817293.db2.gz VTTJZTXZNGFCSO-UHFFFAOYSA-N -1 3 424.931 3.796 40 0 HHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCOC)c2)cc1 ZINC000017321576 560868837 /nfs/dbraw/zinc/86/88/37/560868837.db2.gz MCJPRSNXMACHEE-UHFFFAOYSA-N -1 3 404.532 3.515 40 0 HHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)c1 ZINC000222696386 568523939 /nfs/dbraw/zinc/52/39/39/568523939.db2.gz XNWVAEDMJCRMQE-UHFFFAOYSA-N -1 3 404.532 3.645 40 0 HHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C)cc1 ZINC000222890199 568529726 /nfs/dbraw/zinc/52/97/26/568529726.db2.gz QHSNVSXNIFXVIR-MRXNPFEDSA-N -1 3 416.528 3.528 40 0 HHABHM Cn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc(Cl)cc3Cl)cc2oc1=O ZINC000223341449 568545855 /nfs/dbraw/zinc/54/58/55/568545855.db2.gz PIGGKZWRYFFKCF-UHFFFAOYSA-N -1 3 421.689 3.570 40 0 HHABHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1nc(-c2cccs2)no1 ZINC000223647740 568554844 /nfs/dbraw/zinc/55/48/44/568554844.db2.gz JCGAJCRMKKXGFV-UHFFFAOYSA-N -1 3 404.300 3.725 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1Cl ZINC000226083226 568693315 /nfs/dbraw/zinc/69/33/15/568693315.db2.gz SVIOZWGQWJMUSI-UHFFFAOYSA-N -1 3 424.950 3.990 40 0 HHABHM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1 ZINC000257205778 568777733 /nfs/dbraw/zinc/77/77/33/568777733.db2.gz BANNMPFYHCBRGL-GOSISDBHSA-N -1 3 411.527 3.985 40 0 HHABHM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1 ZINC000257205778 568777735 /nfs/dbraw/zinc/77/77/35/568777735.db2.gz BANNMPFYHCBRGL-GOSISDBHSA-N -1 3 411.527 3.985 40 0 HHABHM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(Cc4cccc(C(=O)[O-])c4)[C@@H]3C[C@@H]21 ZINC000257312165 568807878 /nfs/dbraw/zinc/80/78/78/568807878.db2.gz UMTFUJUSADOGPS-IZZBFERCSA-N -1 3 409.482 3.982 40 0 HHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000006368590 569331754 /nfs/dbraw/zinc/33/17/54/569331754.db2.gz SGHALOVJBBYOJD-UHFFFAOYSA-N -1 3 404.532 3.789 40 0 HHABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362083 569337364 /nfs/dbraw/zinc/33/73/64/569337364.db2.gz TWZWJJDAAUEJAR-UHFFFAOYSA-N -1 3 404.532 3.708 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)N1CCCCC1 ZINC000008560500 569341748 /nfs/dbraw/zinc/34/17/48/569341748.db2.gz YYYHBIJOTRZLQT-UHFFFAOYSA-N -1 3 408.907 3.776 40 0 HHABHM Cc1cccc(C)c1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000107826489 569352976 /nfs/dbraw/zinc/35/29/76/569352976.db2.gz ZASOYFQBTLHUAM-GFCCVEGCSA-N -1 3 401.315 3.916 40 0 HHABHM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccncc1 ZINC000011582395 569398658 /nfs/dbraw/zinc/39/86/58/569398658.db2.gz XJZAFMJCRHXMSW-QHAWAJNXSA-N -1 3 403.413 3.580 40 0 HHABHM O=C(c1cccc(Cl)c1F)N1CCC(c2cncc([N-]c3nccs3)n2)CC1 ZINC000585263641 571308046 /nfs/dbraw/zinc/30/80/46/571308046.db2.gz XNGUNGYUVBTJJX-UHFFFAOYSA-N -1 3 417.897 4.489 40 0 HHABHM Cc1cnc([N-]c2nccnc2[C@H]2CCCN2C(=O)/C=C/c2csc(C)n2)s1 ZINC000585291432 571309554 /nfs/dbraw/zinc/30/95/54/571309554.db2.gz OTUUHEXWWILSOB-LLYBFZRZSA-N -1 3 412.544 4.127 40 0 HHABHM COc1cc(-c2c3c(c([O-])c4cc5c(cc42)OCO5)COC3=O)cc(OC)c1OC ZINC000014676578 291252548 /nfs/dbraw/zinc/25/25/48/291252548.db2.gz HSSDVCMYTACNSM-UHFFFAOYSA-N -1 3 410.378 3.637 40 0 biogenic,in-vitro HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2Cl)CC(=O)N3)cc1 ZINC000040400452 525330585 /nfs/dbraw/zinc/33/05/85/525330585.db2.gz BPWMDXNPBZPIJD-ZDUSSCGKSA-N -1 3 423.860 3.540 40 0 HHABHM Cc1ccc(OCc2nnc([N-]C(=O)c3cncc(Br)c3)s2)cc1 ZINC000041107553 525453005 /nfs/dbraw/zinc/45/30/05/525453005.db2.gz VIRQNZAVWYMPPB-UHFFFAOYSA-N -1 3 405.277 3.835 40 0 HHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1OCC ZINC000408585076 557488199 /nfs/dbraw/zinc/48/81/99/557488199.db2.gz BYNVFJDMNLOSSW-UHFFFAOYSA-N -1 3 408.476 3.853 40 0 HHABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408591359 557507358 /nfs/dbraw/zinc/50/73/58/557507358.db2.gz LKCFRIGJUPCJAG-AWEZNQCLSA-N -1 3 410.923 3.741 40 0 HHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408680036 557686254 /nfs/dbraw/zinc/68/62/54/557686254.db2.gz XXWSBZRJKWNNLR-UHFFFAOYSA-N -1 3 408.495 3.620 40 0 HHABHM CCOc1ccc(CC(=O)N2CCC[C@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)cc1 ZINC000012256795 558362634 /nfs/dbraw/zinc/36/26/34/558362634.db2.gz CFVBHULCJZRGQM-SFHVURJKSA-N -1 3 418.497 3.592 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1Cl ZINC000020483407 558375712 /nfs/dbraw/zinc/37/57/12/558375712.db2.gz HEEFLJNHNOADQK-UHFFFAOYSA-N -1 3 407.706 3.948 40 0 HHABHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000013109388 558514881 /nfs/dbraw/zinc/51/48/81/558514881.db2.gz KVPDPAYJXWEZAU-CPUCHLNUSA-N -1 3 414.836 3.609 40 0 HHABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000100896841 558800940 /nfs/dbraw/zinc/80/09/40/558800940.db2.gz MCEWVEMNJCRCNB-FKBYEOEOSA-N -1 3 400.434 3.752 40 0 HHABHM O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000018083733 558830834 /nfs/dbraw/zinc/83/08/34/558830834.db2.gz KJSSGZPXMTZRQW-UHFFFAOYSA-N -1 3 402.422 3.696 40 0 HHABHM Cc1ccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019209931 558848210 /nfs/dbraw/zinc/84/82/10/558848210.db2.gz GADBZLBGVGXQCK-OAQYLSRUSA-N -1 3 400.482 3.511 40 0 HHABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(N(C)CCc4ccccc4)n3)CC2=O)c1C ZINC000019235549 558854513 /nfs/dbraw/zinc/85/45/13/558854513.db2.gz URPVUFSETUTADQ-FQEVSTJZSA-N -1 3 416.525 3.586 40 0 HHABHM COc1ccccc1CNc1nc([C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc(=O)[n-]1 ZINC000019235597 558854683 /nfs/dbraw/zinc/85/46/83/558854683.db2.gz YBAWVSVQNABJQY-SFHVURJKSA-N -1 3 418.497 3.528 40 0 HHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)c2ccccc2)cc(=O)[n-]1 ZINC000019240960 558859421 /nfs/dbraw/zinc/85/94/21/558859421.db2.gz ZCYFIYWFOULEAR-YCRPNKLZSA-N -1 3 400.482 3.763 40 0 HHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Cc2cccs2)cc(=O)[n-]1 ZINC000019240943 558859435 /nfs/dbraw/zinc/85/94/35/558859435.db2.gz UABQTVWAERHPKC-JLTOFOAXSA-N -1 3 420.538 3.900 40 0 HHABHM CC(C)c1nc(C[C@H](NC(=O)Cc2ccc(F)cc2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453496 558890806 /nfs/dbraw/zinc/89/08/06/558890806.db2.gz LCUKBIZFCTUUIF-FQEVSTJZSA-N -1 3 411.452 3.814 40 0 HHABHM Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019577457 558933269 /nfs/dbraw/zinc/93/32/69/558933269.db2.gz VSAROLQMFRJJSR-LJQANCHMSA-N -1 3 412.582 3.534 40 0 HHABHM Cc1ccc2occ(CN3CCc4c(nc(N5CCCC[C@H]5C)[n-]c4=O)C3)c(=O)c2c1 ZINC000257208218 558988997 /nfs/dbraw/zinc/98/89/97/558988997.db2.gz BLEPUDJPLSAOGB-MRXNPFEDSA-N -1 3 420.513 3.534 40 0 HHABHM Nc1c(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Br ZINC000226306208 559273116 /nfs/dbraw/zinc/27/31/16/559273116.db2.gz ZAZGIVDHWJUEKE-UHFFFAOYSA-N -1 3 424.089 3.734 40 0 HHABHM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1csc(C(=O)Nc2ccccc2[O-])c1 ZINC000006681399 560632323 /nfs/dbraw/zinc/63/23/23/560632323.db2.gz XJDHDAGTISEANS-ZDUSSCGKSA-N -1 3 414.508 3.846 40 0 HHABHM CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(OCC)c2)C1=O ZINC000409211527 560695232 /nfs/dbraw/zinc/69/52/32/560695232.db2.gz NRFWPGYRNNYPAK-ZROIWOOFSA-N -1 3 413.879 3.824 40 0 HHABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)cc1F ZINC000409393527 560719467 /nfs/dbraw/zinc/71/94/67/560719467.db2.gz XLMYNGYMFURDLH-QMMMGPOBSA-N -1 3 409.241 3.577 40 0 HHABHM CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1[O-] ZINC000409412232 560721154 /nfs/dbraw/zinc/72/11/54/560721154.db2.gz UOJPNTUTQGBIIZ-UHFFFAOYSA-N -1 3 412.559 3.848 40 0 HHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000005598748 560738263 /nfs/dbraw/zinc/73/82/63/560738263.db2.gz MALXWFZNFJDSFD-UHFFFAOYSA-N -1 3 412.467 3.757 40 0 HHABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c1 ZINC000097951957 560756724 /nfs/dbraw/zinc/75/67/24/560756724.db2.gz QFVMNMQOBFOZIG-FKBYEOEOSA-N -1 3 400.434 3.752 40 0 HHABHM C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000222676086 568523244 /nfs/dbraw/zinc/52/32/44/568523244.db2.gz JJXRZVZOCGDCJL-QGZVFWFLSA-N -1 3 422.506 3.844 40 0 HHABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000222683333 568523553 /nfs/dbraw/zinc/52/35/53/568523553.db2.gz SFVUREZKHJJHAU-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)c1 ZINC000222692106 568523791 /nfs/dbraw/zinc/52/37/91/568523791.db2.gz UZYKYGLEDUYUFK-UHFFFAOYSA-N -1 3 410.495 3.838 40 0 HHABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000223578050 568552181 /nfs/dbraw/zinc/55/21/81/568552181.db2.gz SNVIVUBPZOBKHE-UHFFFAOYSA-N -1 3 401.488 3.539 40 0 HHABHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)c1 ZINC000223775577 568558801 /nfs/dbraw/zinc/55/88/01/568558801.db2.gz MGBDAQGPJOIEDO-UHFFFAOYSA-N -1 3 413.499 3.627 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 ZINC000224572003 568585787 /nfs/dbraw/zinc/58/57/87/568585787.db2.gz PSSKIDQMGNFJPV-UHFFFAOYSA-N -1 3 414.458 3.952 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(C(C)(C)C)cc1 ZINC000224764997 568595940 /nfs/dbraw/zinc/59/59/40/568595940.db2.gz XTYIIDMBNCTOMZ-GFCCVEGCSA-N -1 3 424.592 3.860 40 0 HHABHM Cc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)[n-]c(=O)n1 ZINC000257298858 568804284 /nfs/dbraw/zinc/80/42/84/568804284.db2.gz RNNKHYADVYZVHQ-OAHLLOKOSA-N -1 3 412.877 3.743 40 0 HHABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c1 ZINC000100165699 569012850 /nfs/dbraw/zinc/01/28/50/569012850.db2.gz WTVQUSKAZVHUDT-FKBYEOEOSA-N -1 3 418.424 3.885 40 0 HHABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccc(Cl)cc1 ZINC000107822651 569353001 /nfs/dbraw/zinc/35/30/01/569353001.db2.gz ZCMXGAMNMHBNKW-SNVBAGLBSA-N -1 3 421.733 3.630 40 0 HHABHM Cc1nc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3ccco3)CC2)sc1C ZINC000585292578 571309955 /nfs/dbraw/zinc/30/99/55/571309955.db2.gz OWJKLWWASPIHBE-AATRIKPKSA-N -1 3 409.515 4.306 40 0 HHABHM CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(C(F)(F)F)cc2)C3)CC1 ZINC000012182755 132356061 /nfs/dbraw/zinc/35/60/61/132356061.db2.gz HUZGNMBTAKEDEP-UHFFFAOYSA-N -1 3 406.452 3.583 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000040400517 525330451 /nfs/dbraw/zinc/33/04/51/525330451.db2.gz MLANXVRKYFXLAN-MRXNPFEDSA-N -1 3 417.469 3.503 40 0 HHABHM CC(=O)Nc1c(Cc2cc(O)c3ncccc3c2NC(C)=O)cc([O-])c2ncccc21 ZINC000001717587 557282540 /nfs/dbraw/zinc/28/25/40/557282540.db2.gz DGFODDRIJKIRFW-UHFFFAOYSA-N -1 3 416.437 3.702 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1cccc(F)c1 ZINC000408530371 557298641 /nfs/dbraw/zinc/29/86/41/557298641.db2.gz KRVKIXBWGFORSJ-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccccc1F ZINC000408535755 557333892 /nfs/dbraw/zinc/33/38/92/557333892.db2.gz WFTNXFUELSVIHG-UHFFFAOYSA-N -1 3 418.421 3.783 40 0 HHABHM Cc1cccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c1 ZINC000408543018 557360438 /nfs/dbraw/zinc/36/04/38/557360438.db2.gz MTOWBSHJLTXKLQ-UHFFFAOYSA-N -1 3 419.304 3.979 40 0 HHABHM Cc1cccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c1 ZINC000408543018 557360440 /nfs/dbraw/zinc/36/04/40/557360440.db2.gz MTOWBSHJLTXKLQ-UHFFFAOYSA-N -1 3 419.304 3.979 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(Cl)c2)cc1 ZINC000408585576 557489358 /nfs/dbraw/zinc/48/93/58/557489358.db2.gz ZYERZTCJKNRJOB-UHFFFAOYSA-N -1 3 424.950 3.990 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1Cl ZINC000408589955 557499529 /nfs/dbraw/zinc/49/95/29/557499529.db2.gz IJUFPZLOXORIIN-AWEZNQCLSA-N -1 3 410.923 3.741 40 0 HHABHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408590980 557503166 /nfs/dbraw/zinc/50/31/66/557503166.db2.gz HOFHWJAWNFEANU-OAHLLOKOSA-N -1 3 424.950 3.989 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1Cl ZINC000408602769 557523135 /nfs/dbraw/zinc/52/31/35/557523135.db2.gz IWXAPBRCOIXMSA-UHFFFAOYSA-N -1 3 422.934 3.841 40 0 HHABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C ZINC000408618955 557535652 /nfs/dbraw/zinc/53/56/52/557535652.db2.gz HADNAENOHSEWOQ-UHFFFAOYSA-N -1 3 401.257 3.656 40 0 HHABHM COc1ccc(CCC(=O)N2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000012256882 558363030 /nfs/dbraw/zinc/36/30/30/558363030.db2.gz SVYRSKUXBGGGMZ-LJQANCHMSA-N -1 3 418.497 3.592 40 0 HHABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000100901289 558802234 /nfs/dbraw/zinc/80/22/34/558802234.db2.gz RAXYROGTNMRWJD-FSSWDIPSSA-N -1 3 400.434 3.752 40 0 HHABHM COc1ccc(C)cc1CC(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019133104 558845832 /nfs/dbraw/zinc/84/58/32/558845832.db2.gz NDWFFCOLNJKZAH-HXUWFJFHSA-N -1 3 409.461 3.589 40 0 HHABHM Cc1ccc([C@H](NCc2c(C)nc(N3CCCCC3)[n-]c2=O)c2cccnc2)cc1 ZINC000019136774 558846377 /nfs/dbraw/zinc/84/63/77/558846377.db2.gz BVWMMUMHKLKCMQ-QFIPXVFZSA-N -1 3 403.530 3.651 40 0 HHABHM Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1 ZINC000019209720 558847961 /nfs/dbraw/zinc/84/79/61/558847961.db2.gz YWHNCRFMMXMLFY-NRFANRHFSA-N -1 3 408.546 3.553 40 0 HHABHM Cc1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)s1 ZINC000019217082 558850625 /nfs/dbraw/zinc/85/06/25/558850625.db2.gz MNLFTIKOKDUMNP-LJQANCHMSA-N -1 3 416.506 3.916 40 0 HHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)c2ccccc2)cc(=O)[n-]1 ZINC000019240959 558859362 /nfs/dbraw/zinc/85/93/62/558859362.db2.gz ZCYFIYWFOULEAR-QVKFZJNVSA-N -1 3 400.482 3.763 40 0 HHABHM O=C(c1ccc(F)c(Cl)c1)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019292791 558864576 /nfs/dbraw/zinc/86/45/76/558864576.db2.gz XTHYADXXKKKOME-UHFFFAOYSA-N -1 3 418.881 3.706 40 0 HHABHM O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1)c1cccc(F)c1 ZINC000019369444 558877946 /nfs/dbraw/zinc/87/79/46/558877946.db2.gz VSDRFDJNTKVDSS-NRFANRHFSA-N -1 3 414.440 3.685 40 0 HHABHM O=C(N[C@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1)c1cccc(F)c1 ZINC000019369441 558877958 /nfs/dbraw/zinc/87/79/58/558877958.db2.gz VSDRFDJNTKVDSS-OAQYLSRUSA-N -1 3 414.440 3.685 40 0 HHABHM O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019370217 558878428 /nfs/dbraw/zinc/87/84/28/558878428.db2.gz KMBYROMYCPWRFP-JOCHJYFZSA-N -1 3 420.557 3.779 40 0 HHABHM CC(C)c1nc(C[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)c2ccccc2)cc(=O)[n-]1 ZINC000019453572 558891006 /nfs/dbraw/zinc/89/10/06/558891006.db2.gz ZKIDCJSFEPMXKR-SFHVURJKSA-N -1 3 421.545 3.638 40 0 HHABHM CC[C@@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019499822 558897740 /nfs/dbraw/zinc/89/77/40/558897740.db2.gz ADSQQGFMIKJEGU-CVEARBPZSA-N -1 3 414.575 3.554 40 0 HHABHM CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019499845 558897838 /nfs/dbraw/zinc/89/78/38/558897838.db2.gz IGIJKYZXMNJXEO-OXJNMPFZSA-N -1 3 400.567 3.830 40 0 HHABHM COc1cccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)c1 ZINC000019564754 558924906 /nfs/dbraw/zinc/92/49/06/558924906.db2.gz XZVBQXKYKZYIHC-FQEVSTJZSA-N -1 3 407.445 3.509 40 0 HHABHM COc1cccc(OC)c1CN1CCCC[C@@H]1c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019567086 558926533 /nfs/dbraw/zinc/92/65/33/558926533.db2.gz GWHRBWXSKGZPKH-LJQANCHMSA-N -1 3 406.486 3.989 40 0 HHABHM COc1cccc(CC(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000019579309 558934951 /nfs/dbraw/zinc/93/49/51/558934951.db2.gz UJSWPRZKOOFMKP-JOCHJYFZSA-N -1 3 417.509 3.584 40 0 HHABHM CC(C)(C)c1nc2c(nnn2C2CCN(Cc3ccccc3Cl)CC2)c(=O)[n-]1 ZINC000072337620 558937806 /nfs/dbraw/zinc/93/78/06/558937806.db2.gz FMJWANILTBHLLB-UHFFFAOYSA-N -1 3 400.914 3.715 40 0 HHABHM CCn1cc(-c2cc(C(=O)[N-]c3nc(-c4ccc5c(c4)CCO5)cs3)no2)cn1 ZINC000019665242 558955413 /nfs/dbraw/zinc/95/54/13/558955413.db2.gz FNMIWFWTXWQJPU-UHFFFAOYSA-N -1 3 407.455 3.869 40 0 HHABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102734910 559152343 /nfs/dbraw/zinc/15/23/43/559152343.db2.gz LRKJNSYVFCUHII-AABGKKOBSA-N -1 3 405.841 3.786 40 0 HHABHM C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cc(Cl)ccc3[O-])c2)C1 ZINC000006680949 560633937 /nfs/dbraw/zinc/63/39/37/560633937.db2.gz IQECMJDTXTXLBN-NSHDSACASA-N -1 3 414.936 3.780 40 0 HHABHM O=C1[N-]C(=Cc2cc(Br)c(Br)o2)C(=O)N1c1ccccc1 ZINC000409013784 560666146 /nfs/dbraw/zinc/66/61/46/560666146.db2.gz VLZIXCFPELYOEI-YRNVUSSQSA-N -1 3 412.037 3.902 40 0 HHABHM CCN1C(=O)/C(=C\c2cc(I)c([O-])c(OC)c2)c2ccccc21 ZINC000409120576 560679664 /nfs/dbraw/zinc/67/96/64/560679664.db2.gz UJLDBQZRFYVBPD-JYRVWZFOSA-N -1 3 421.234 3.913 40 0 HHABHM COc1ccc([C@H]2CC(=O)c3c[n-]c4nn(-c5ccccc5)c(=O)c-4c3C2)c(OC)c1 ZINC000014163912 560839619 /nfs/dbraw/zinc/83/96/19/560839619.db2.gz YKKSCUBKVVDOIB-CQSZACIVSA-N -1 3 415.449 3.644 40 0 HHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1 ZINC000015420917 560855352 /nfs/dbraw/zinc/85/53/52/560855352.db2.gz NOFUZGPCQCZUMJ-UHFFFAOYSA-N -1 3 416.543 3.611 40 0 HHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(C)cc1C ZINC000222741297 568525218 /nfs/dbraw/zinc/52/52/18/568525218.db2.gz JIQATPGMXRRASJ-CQSZACIVSA-N -1 3 410.565 3.569 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Cl ZINC000224412902 568580542 /nfs/dbraw/zinc/58/05/42/568580542.db2.gz MQTIOABXRNKHJD-UHFFFAOYSA-N -1 3 415.902 3.950 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1 ZINC000224542361 568584361 /nfs/dbraw/zinc/58/43/61/568584361.db2.gz VYNYYLYVMIJTSS-NRFANRHFSA-N -1 3 424.478 3.574 40 0 HHABHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000224546911 568584526 /nfs/dbraw/zinc/58/45/26/568584526.db2.gz WQPLTGGQBJYGMY-UHFFFAOYSA-N -1 3 416.524 3.738 40 0 HHABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224598067 568587115 /nfs/dbraw/zinc/58/71/15/568587115.db2.gz YLPCQPZNYUQVLJ-USCONSEESA-N -1 3 420.538 3.945 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000225780197 568674243 /nfs/dbraw/zinc/67/42/43/568674243.db2.gz FDJHNTQCVGKMDU-UHFFFAOYSA-N -1 3 414.270 3.531 40 0 HHABHM CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)n1 ZINC000257265700 568794458 /nfs/dbraw/zinc/79/44/58/568794458.db2.gz LZXUANXDCAXIIK-UHFFFAOYSA-N -1 3 416.485 3.899 40 0 HHABHM CC(=O)N1CCCN(C(=O)c2ccc3c(c2[O-])[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)O3)CC1 ZINC000257289807 568801513 /nfs/dbraw/zinc/80/15/13/568801513.db2.gz QAHIIMJAGORDBA-ATZDWAIDSA-N -1 3 414.546 3.777 40 0 HHABHM CC1(C)[C@@H]2C[C@@H]3[C@@H](c4c([O-])ccc5ccccc54)OCC[C@]3(C2)[C@H]1NC(=O)CCO ZINC000257329447 568813001 /nfs/dbraw/zinc/81/30/01/568813001.db2.gz XKAYKGOYAZFSEN-LIXQKFDISA-N -1 3 409.526 3.926 40 0 HHABHM CCOc1cc(C(=S)N2CCC(C)CC2)cc(I)c1[O-] ZINC000006958927 569335816 /nfs/dbraw/zinc/33/58/16/569335816.db2.gz UOHOJPXISNLXMM-UHFFFAOYSA-N -1 3 405.301 3.803 40 0 HHABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 ZINC000007361533 569337284 /nfs/dbraw/zinc/33/72/84/569337284.db2.gz OUEHUBPLPQGBJF-UHFFFAOYSA-N -1 3 416.543 3.993 40 0 HHABHM Cc1nc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3cccnc3)CC2)sc1C ZINC000585292547 571309948 /nfs/dbraw/zinc/30/99/48/571309948.db2.gz KJZRCIZFUKMRKF-AATRIKPKSA-N -1 3 420.542 4.108 40 0 HHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000040400377 525329010 /nfs/dbraw/zinc/32/90/10/525329010.db2.gz VSGLDTLLAVFEIA-QGZVFWFLSA-N -1 3 417.469 3.503 40 0 HHABHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408593172 557507045 /nfs/dbraw/zinc/50/70/45/557507045.db2.gz PITHFYUYJUGMHT-AWEZNQCLSA-N -1 3 410.923 3.741 40 0 HHABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408591360 557507309 /nfs/dbraw/zinc/50/73/09/557507309.db2.gz LKCFRIGJUPCJAG-CQSZACIVSA-N -1 3 410.923 3.741 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1C ZINC000408597637 557507847 /nfs/dbraw/zinc/50/78/47/557507847.db2.gz VQRMGNOXGQUUSS-QGZVFWFLSA-N -1 3 404.532 3.644 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000408605491 557517625 /nfs/dbraw/zinc/51/76/25/557517625.db2.gz KJGFJWAMGXUFKV-ZDUSSCGKSA-N -1 3 410.923 3.778 40 0 HHABHM Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000004144280 557519836 /nfs/dbraw/zinc/51/98/36/557519836.db2.gz ZYSNZAHLHRYOLQ-RKVPGOIHSA-N -1 3 412.795 3.752 40 0 HHABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408613491 557529846 /nfs/dbraw/zinc/52/98/46/557529846.db2.gz UPNVGPRPKOTLBY-OAHLLOKOSA-N -1 3 420.506 3.843 40 0 HHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000408612808 557530974 /nfs/dbraw/zinc/53/09/74/557530974.db2.gz YUJQUOXTLONLQM-LLVKDONJSA-N -1 3 417.314 3.616 40 0 HHABHM COc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1Cl ZINC000019937651 558312460 /nfs/dbraw/zinc/31/24/60/558312460.db2.gz YUETUBZZBXDKMU-UHFFFAOYSA-N -1 3 404.253 3.934 40 0 HHABHM Cc1ccc(CSCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000020452358 558366604 /nfs/dbraw/zinc/36/66/04/558366604.db2.gz SMAVXXKXNZIEML-UHFFFAOYSA-N -1 3 412.964 3.683 40 0 HHABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000016217104 558779333 /nfs/dbraw/zinc/77/93/33/558779333.db2.gz QVDXIVUYHSJKCE-UHFFFAOYSA-N -1 3 412.467 3.514 40 0 HHABHM Cc1cc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1CCCn1ccnc1 ZINC000016790280 558807236 /nfs/dbraw/zinc/80/72/36/558807236.db2.gz YLFSEJJTKVRJAN-UHFFFAOYSA-N -1 3 421.284 3.708 40 0 HHABHM CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019081349 558839578 /nfs/dbraw/zinc/83/95/78/558839578.db2.gz ZWRJTHSCOANGQM-LJQANCHMSA-N -1 3 400.567 3.830 40 0 HHABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c1 ZINC000013660745 558851628 /nfs/dbraw/zinc/85/16/28/558851628.db2.gz QFVMNMQOBFOZIG-FSSWDIPSSA-N -1 3 400.434 3.752 40 0 HHABHM O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019293555 558865253 /nfs/dbraw/zinc/86/52/53/558865253.db2.gz NXZQZSWDRNDMHR-NRFANRHFSA-N -1 3 424.520 3.989 40 0 HHABHM O=C(N[C@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1)C1CCCC1 ZINC000019332552 558868910 /nfs/dbraw/zinc/86/89/10/558868910.db2.gz GKHMCKYMISYHCN-HXUWFJFHSA-N -1 3 406.461 3.561 40 0 HHABHM O=C(Cc1ccccc1F)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019348188 558874015 /nfs/dbraw/zinc/87/40/15/558874015.db2.gz BWSTUKLVJQXMBF-OAQYLSRUSA-N -1 3 423.463 3.958 40 0 HHABHM O=C(Cc1ccc(F)cc1)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369327 558877941 /nfs/dbraw/zinc/87/79/41/558877941.db2.gz BNXAIEKOVVXTPK-NRFANRHFSA-N -1 3 405.473 3.819 40 0 HHABHM COCCOc1ccc(CN2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000019593710 558944929 /nfs/dbraw/zinc/94/49/29/558944929.db2.gz AJKPSUPWUIJUSM-OAQYLSRUSA-N -1 3 406.486 3.607 40 0 HHABHM CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)CC1 ZINC000100155192 559130885 /nfs/dbraw/zinc/13/08/85/559130885.db2.gz KGLZJYPWKYSLTP-OXFYSEKESA-N -1 3 408.502 3.577 40 0 HHABHM CCc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000006356337 560558184 /nfs/dbraw/zinc/55/81/84/560558184.db2.gz CMQKVNGXBJDBNQ-QKLQHJQFSA-N -1 3 406.404 3.661 40 0 HHABHM CCOC(=O)c1sc([N-]C(=O)C(F)(F)F)c(C(=O)NCc2ccccc2)c1C ZINC000409118174 560679218 /nfs/dbraw/zinc/67/92/18/560679218.db2.gz ZELRBPOWARZZAT-UHFFFAOYSA-N -1 3 414.405 3.664 40 0 HHABHM Cc1cc(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000409172406 560686686 /nfs/dbraw/zinc/68/66/86/560686686.db2.gz HIVXLNZHAGTALX-JUKMUDQWSA-N -1 3 404.816 3.913 40 0 HHABHM O=C(COc1ccc(C=C2SC(=O)[N-]C2=O)cc1Cl)Nc1ccccc1F ZINC000409371444 560716808 /nfs/dbraw/zinc/71/68/08/560716808.db2.gz WQWGKORGUVWTON-OVCLIPMQSA-N -1 3 406.822 3.821 40 0 HHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000409387740 560720148 /nfs/dbraw/zinc/72/01/48/560720148.db2.gz QAGKVRZDOMWJTP-UHFFFAOYSA-N -1 3 404.532 3.789 40 0 HHABHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](/C=C/c2ccccc2)CC4=O)n1 ZINC000013639655 560826205 /nfs/dbraw/zinc/82/62/05/560826205.db2.gz HEUIUJUGSVAKIF-IJDCCNJMSA-N -1 3 411.465 3.579 40 0 HHABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)c1 ZINC000005531492 568447115 /nfs/dbraw/zinc/44/71/15/568447115.db2.gz VVZSTPFSPDKUIM-BDTNDASRSA-N -1 3 418.424 3.885 40 0 HHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000216469171 568465605 /nfs/dbraw/zinc/46/56/05/568465605.db2.gz BPAHBLFYOWXNJY-UHFFFAOYSA-N -1 3 407.706 3.948 40 0 HHABHM CC(C)Oc1cccc(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000219285846 568488841 /nfs/dbraw/zinc/48/88/41/568488841.db2.gz JGALRWWZWZZEPN-UHFFFAOYSA-N -1 3 424.950 3.861 40 0 HHABHM CCCOc1ccccc1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000219286179 568488924 /nfs/dbraw/zinc/48/89/24/568488924.db2.gz JJUZAWWMPWJJGX-UHFFFAOYSA-N -1 3 424.950 3.863 40 0 HHABHM CN(C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000222716850 568524645 /nfs/dbraw/zinc/52/46/45/568524645.db2.gz AINQSEKGKWGOJZ-UHFFFAOYSA-N -1 3 414.458 3.668 40 0 HHABHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000223647146 568554850 /nfs/dbraw/zinc/55/48/50/568554850.db2.gz SHLFFJJUDGGZKJ-UHFFFAOYSA-N -1 3 412.298 3.971 40 0 HHABHM CC(C)(C)c1ccccc1OCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000223712557 568557091 /nfs/dbraw/zinc/55/70/91/568557091.db2.gz HUTOGGCBWOVXMG-UHFFFAOYSA-N -1 3 424.950 3.818 40 0 HHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2C)cc1 ZINC000224056121 568568034 /nfs/dbraw/zinc/56/80/34/568568034.db2.gz RWQPEDQDBHEGBC-UHFFFAOYSA-N -1 3 410.495 3.734 40 0 HHABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224598110 568587075 /nfs/dbraw/zinc/58/70/75/568587075.db2.gz YLPCQPZNYUQVLJ-WQTXXOFMSA-N -1 3 420.538 3.945 40 0 HHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)c1 ZINC000226083747 568693357 /nfs/dbraw/zinc/69/33/57/568693357.db2.gz RZMLASPLTNFABC-UHFFFAOYSA-N -1 3 404.532 3.645 40 0 HHABHM Cc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)[n-]c(=O)n1 ZINC000257338821 568815558 /nfs/dbraw/zinc/81/55/58/568815558.db2.gz YZBPYVXROXXTBV-HNNXBMFYSA-N -1 3 412.877 3.743 40 0 HHABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3CC)[n-]c(=O)c21 ZINC000253575226 569318072 /nfs/dbraw/zinc/31/80/72/569318072.db2.gz UIRUGOZPXRSKLF-HZPDHXFCSA-N -1 3 423.517 3.578 40 0 HHABHM Cc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000006205690 569329840 /nfs/dbraw/zinc/32/98/40/569329840.db2.gz VGTJFSNVDCUNNF-GFCCVEGCSA-N -1 3 401.315 3.916 40 0 HHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)c1 ZINC000006553285 569333395 /nfs/dbraw/zinc/33/33/95/569333395.db2.gz HHFYDVJGLYUJPH-UHFFFAOYSA-N -1 3 416.543 3.742 40 0 HHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)c(C)c2)cc1C ZINC000007362101 569337404 /nfs/dbraw/zinc/33/74/04/569337404.db2.gz UILGVMYKECYQOJ-UHFFFAOYSA-N -1 3 404.532 3.706 40 0 HHABHM Cc1c(Cl)cccc1NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008278333 569339997 /nfs/dbraw/zinc/33/99/97/569339997.db2.gz QGNSQZVSWITQHG-UHFFFAOYSA-N -1 3 407.706 3.872 40 0 HHABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000033737965 569351216 /nfs/dbraw/zinc/35/12/16/569351216.db2.gz ILVQMNYFCKCLKY-UHFFFAOYSA-N -1 3 424.522 3.799 40 0 HHABHM